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 3cur_1_I DATA FIRST_RESID 5 DATA SEQUENCE KPTPQSTFTG PIVVDPITRI EGHLRIMVEV ENGKVKDAWS SSQLFRGLEI DATA SEQUENCE ILKGRDPRDA QHFTQRACGM CTYVHALASS RCVDDAVKVS IPANARMMRN DATA SEQUENCE LVMASQYLHD HLVHFYHMHA LDWVDVTAAL KADPNKAAKL AASIAPARPG DATA SEQUENCE NSAKALKAVQ DKLKAFVESG QLGIFTNAYF LGGHKAYYLP PEVDLIATAH DATA SEQUENCE YLEALHMQVK AASAMAILGG KNPHTQFTVV GGCSNYQGLT KDPLANYLAL DATA SEQUENCE SKEVcQFVNE CYIPDLLAVA GFYKDWGGIG GTSNYLAFGE FATDDSSPEK DATA SEQUENCE HLATSQFPSG VITGRDLGKV DNVDLGAIYE DVKYSWYAPG GDGKHPYDGV DATA SEQUENCE TDPKYTKLDD KDHYSWMKAP RYKGKAMEVG PLARTFIAYA KGQPDFKKVV DATA SEQUENCE DMVLGKLSVP ATALHSTLGR TAARGIETAI VcANMEKWIK EMADSGAKDN DATA SEQUENCE TLCAKWEMPE ESKGVGLADA PRGALSHWIR IKGKKIDNFQ LVVPSTWNLG DATA SEQUENCE PRGAQGDKSP VEEALIGTPI ADPKRPVEIL RTVHAFDPCI ACGVH 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.568 176.600 -0.053 0.000 0.988 5 K CA 0.000 56.249 56.287 -0.063 0.000 0.838 5 K CB 0.000 nan 32.500 nan 0.000 1.064 6 P HA 0.373 nan 4.420 nan 0.000 0.274 6 P C -0.507 176.810 177.300 0.028 0.000 1.237 6 P CA 0.199 63.302 63.100 0.005 0.000 0.793 6 P CB 0.587 32.296 31.700 0.015 0.000 0.977 7 T N 4.039 118.636 114.554 0.071 0.000 2.831 7 T HA 0.129 4.479 4.350 -0.000 0.000 0.291 7 T C -1.927 172.864 174.700 0.150 0.000 0.981 7 T CA -0.417 61.779 62.100 0.160 0.000 1.174 7 T CB -0.606 68.337 68.868 0.123 0.000 0.929 7 T HN 0.414 nan 8.240 nan 0.000 0.532 8 P HA 0.070 nan 4.420 nan 0.000 0.264 8 P C -0.596 176.803 177.300 0.164 0.000 1.193 8 P CA -0.055 63.155 63.100 0.183 0.000 0.763 8 P CB 0.571 32.422 31.700 0.252 0.000 0.810 9 Q N 1.733 121.603 119.800 0.116 0.000 2.281 9 Q HA 0.354 4.694 4.340 -0.000 0.000 0.263 9 Q C -0.402 175.650 176.000 0.087 0.000 0.989 9 Q CA -0.535 55.328 55.803 0.100 0.000 0.852 9 Q CB 1.728 30.512 28.738 0.077 0.000 1.337 9 Q HN 0.585 nan 8.270 nan 0.000 0.418 10 S N 1.282 117.040 115.700 0.096 0.000 2.640 10 S HA 0.249 4.719 4.470 -0.000 0.000 0.262 10 S C 0.911 175.576 174.600 0.108 0.000 1.232 10 S CA 0.376 58.635 58.200 0.098 0.000 0.988 10 S CB 0.935 64.201 63.200 0.109 0.000 1.034 10 S HN 0.775 nan 8.310 nan 0.000 0.569 11 T N -2.430 112.192 114.554 0.114 0.000 3.105 11 T HA 0.252 4.602 4.350 -0.000 0.000 0.253 11 T C 0.067 174.835 174.700 0.113 0.000 1.047 11 T CA -0.544 61.610 62.100 0.090 0.000 0.944 11 T CB -0.802 68.100 68.868 0.057 0.000 1.016 11 T HN 0.471 nan 8.240 nan 0.000 0.544 12 F N 3.495 123.455 119.950 0.016 0.000 2.623 12 F HA 0.348 4.875 4.527 0.000 0.000 0.383 12 F C -0.110 175.701 175.800 0.019 0.000 1.077 12 F CA 0.443 58.453 58.000 0.016 0.000 1.268 12 F CB 0.323 39.334 39.000 0.017 0.000 1.053 12 F HN 0.015 nan 8.300 nan 0.000 0.571 13 T N 5.088 119.167 114.554 -0.792 0.000 2.840 13 T HA 0.726 5.076 4.350 -0.000 0.000 0.287 13 T C -0.125 173.960 174.700 -1.024 0.000 0.991 13 T CA -0.138 61.560 62.100 -0.670 0.000 0.964 13 T CB 1.036 69.725 68.868 -0.299 0.000 0.954 13 T HN 1.117 nan 8.240 nan 0.000 0.438 14 G N 4.092 112.432 108.800 -0.766 0.000 2.359 14 G HA2 0.380 4.340 3.960 -0.000 0.000 0.293 14 G HA3 0.380 4.340 3.960 -0.000 0.000 0.293 14 G C -3.464 171.424 174.900 -0.019 0.000 1.300 14 G CA -0.952 43.905 45.100 -0.404 0.000 0.888 14 G HN 0.507 nan 8.290 nan 0.000 0.541 15 P HA 0.651 nan 4.420 nan 0.000 0.281 15 P C -0.605 176.871 177.300 0.293 0.000 1.249 15 P CA -0.319 62.894 63.100 0.188 0.000 0.810 15 P CB 1.426 33.186 31.700 0.100 0.000 1.008 16 I N 1.259 121.968 120.570 0.232 0.000 2.533 16 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 16 I C -0.481 175.711 176.117 0.126 0.000 1.056 16 I CA -1.160 60.234 61.300 0.158 0.000 1.057 16 I CB 2.477 40.542 38.000 0.109 0.000 1.240 16 I HN -0.027 nan 8.210 nan 0.000 0.423 17 V N 6.588 126.562 119.914 0.100 0.000 2.495 17 V HA 0.461 4.581 4.120 -0.000 0.000 0.298 17 V C -0.272 175.883 176.094 0.101 0.000 1.031 17 V CA -0.694 61.666 62.300 0.100 0.000 0.871 17 V CB 2.198 34.072 31.823 0.085 0.000 0.988 17 V HN 0.415 nan 8.190 nan 0.000 0.432 18 V N 3.499 123.483 119.914 0.115 0.000 2.376 18 V HA 0.649 4.769 4.120 -0.000 0.000 0.287 18 V C -0.919 175.252 176.094 0.129 0.000 1.015 18 V CA -0.278 62.097 62.300 0.126 0.000 0.834 18 V CB 1.524 33.426 31.823 0.132 0.000 1.001 18 V HN 0.957 nan 8.190 nan 0.000 0.428 19 D N 5.242 125.718 120.400 0.127 0.000 2.548 19 D HA 0.401 5.040 4.640 -0.000 0.000 0.214 19 D C -2.544 173.828 176.300 0.120 0.000 1.345 19 D CA -0.555 53.525 54.000 0.134 0.000 0.945 19 D CB 2.378 43.260 40.800 0.137 0.000 1.499 19 D HN 0.449 nan 8.370 nan 0.000 0.579 20 P HA 0.432 nan 4.420 nan 0.000 0.282 20 P C -0.132 177.244 177.300 0.127 0.000 1.249 20 P CA -0.660 62.526 63.100 0.144 0.000 0.806 20 P CB 1.087 32.878 31.700 0.152 0.000 0.984 21 I N 2.886 123.536 120.570 0.135 0.000 2.505 21 I HA 0.041 4.211 4.170 -0.000 0.000 0.287 21 I C 1.417 177.619 176.117 0.141 0.000 1.104 21 I CA 0.335 61.706 61.300 0.119 0.000 1.387 21 I CB 0.041 38.104 38.000 0.106 0.000 1.404 21 I HN 0.519 nan 8.210 nan 0.000 0.528 22 T N 3.450 118.092 114.554 0.146 0.000 2.862 22 T HA 0.456 4.806 4.350 -0.000 0.000 0.276 22 T C 0.737 175.576 174.700 0.232 0.000 0.974 22 T CA -0.793 61.390 62.100 0.139 0.000 0.966 22 T CB 0.940 69.850 68.868 0.070 0.000 1.072 22 T HN 0.613 nan 8.240 nan 0.000 0.538 23 R N -0.111 120.457 120.500 0.113 0.000 3.416 23 R HA -0.144 4.196 4.340 -0.000 0.000 0.263 23 R C -0.008 176.332 176.300 0.066 0.000 1.053 23 R CA 0.859 56.972 56.100 0.021 0.000 0.705 23 R CB -2.167 28.044 30.300 -0.147 0.000 1.124 23 R HN 0.790 nan 8.270 nan 0.000 0.444 24 I N -4.629 116.032 120.570 0.151 0.000 3.322 24 I HA 0.560 4.730 4.170 -0.000 0.000 0.313 24 I C -0.044 176.134 176.117 0.101 0.000 1.129 24 I CA -1.229 60.174 61.300 0.172 0.000 0.963 24 I CB 1.812 39.939 38.000 0.211 0.000 1.273 24 I HN -0.232 nan 8.210 nan 0.000 0.473 25 E N 1.707 121.969 120.200 0.103 0.000 2.227 25 E HA 0.564 4.914 4.350 -0.000 0.000 0.282 25 E C 0.074 176.679 176.600 0.009 0.000 1.015 25 E CA 0.832 57.266 56.400 0.055 0.000 0.823 25 E CB 1.067 30.822 29.700 0.091 0.000 1.081 25 E HN 1.024 nan 8.360 nan 0.000 0.396 26 G N 4.166 112.889 108.800 -0.128 0.000 2.698 26 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.225 26 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.225 26 G C -0.946 173.744 174.900 -0.349 0.000 1.345 26 G CA -0.556 44.391 45.100 -0.256 0.000 0.871 26 G HN 0.701 nan 8.290 nan 0.000 0.540 27 H N -0.462 118.694 119.070 0.143 0.000 2.638 27 H HA 0.573 5.129 4.556 -0.000 0.000 0.303 27 H C -0.397 175.045 175.328 0.190 0.000 1.034 27 H CA -0.374 55.767 56.048 0.154 0.000 1.225 27 H CB 1.325 31.173 29.762 0.144 0.000 1.394 27 H HN 0.509 nan 8.280 nan 0.000 0.477 28 L N 3.162 124.536 121.223 0.252 0.000 2.365 28 L HA 0.430 4.770 4.340 -0.000 0.000 0.273 28 L C -0.276 176.725 176.870 0.217 0.000 1.000 28 L CA -0.619 54.360 54.840 0.231 0.000 0.819 28 L CB 1.838 44.006 42.059 0.181 0.000 1.284 28 L HN 0.492 nan 8.230 nan 0.000 0.418 29 R N 5.532 126.171 120.500 0.230 0.000 2.437 29 R HA 0.604 4.944 4.340 -0.000 0.000 0.310 29 R C -1.542 174.873 176.300 0.192 0.000 0.955 29 R CA -0.695 55.528 56.100 0.206 0.000 0.851 29 R CB 1.041 31.479 30.300 0.230 0.000 1.161 29 R HN 0.598 nan 8.270 nan 0.000 0.446 30 I N 5.684 126.350 120.570 0.160 0.000 2.354 30 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 30 I C -0.439 175.774 176.117 0.159 0.000 0.989 30 I CA -0.894 60.499 61.300 0.154 0.000 1.188 30 I CB 1.628 39.701 38.000 0.122 0.000 1.342 30 I HN 0.691 nan 8.210 nan 0.000 0.457 31 M N 7.388 127.106 119.600 0.197 0.000 2.294 31 M HA 0.579 5.059 4.480 -0.000 0.000 0.335 31 M C -0.298 176.199 176.300 0.329 0.000 1.079 31 M CA -0.718 54.710 55.300 0.214 0.000 0.982 31 M CB 2.057 34.728 32.600 0.119 0.000 1.651 31 M HN 0.369 nan 8.290 nan 0.000 0.437 32 V N -1.222 118.854 119.914 0.271 0.000 2.962 32 V HA 0.741 4.861 4.120 -0.000 0.000 0.313 32 V C -0.903 175.357 176.094 0.277 0.000 1.099 32 V CA -0.732 61.725 62.300 0.262 0.000 0.971 32 V CB 2.273 34.191 31.823 0.158 0.000 1.028 32 V HN 0.731 nan 8.190 nan 0.000 0.430 33 E N 2.074 122.434 120.200 0.267 0.000 2.175 33 E HA 0.645 4.994 4.350 -0.000 0.000 0.278 33 E C -0.982 175.694 176.600 0.127 0.000 0.969 33 E CA -0.379 56.138 56.400 0.195 0.000 0.796 33 E CB 2.105 31.926 29.700 0.202 0.000 1.104 33 E HN 0.695 nan 8.360 nan 0.000 0.395 34 V N 2.236 122.219 119.914 0.115 0.000 2.555 34 V HA 0.385 4.505 4.120 -0.000 0.000 0.302 34 V C 0.046 176.137 176.094 -0.005 0.000 1.038 34 V CA -0.764 61.603 62.300 0.112 0.000 0.887 34 V CB 1.961 33.971 31.823 0.313 0.000 0.991 34 V HN 0.581 nan 8.190 nan 0.000 0.434 35 E N 3.588 123.792 120.200 0.007 0.000 2.244 35 E HA 0.327 4.677 4.350 -0.000 0.000 0.260 35 E C -0.512 176.084 176.600 -0.005 0.000 0.884 35 E CA -0.542 55.840 56.400 -0.031 0.000 0.777 35 E CB 0.821 30.508 29.700 -0.021 0.000 1.197 35 E HN 0.775 nan 8.360 nan 0.000 0.416 36 N N 3.236 121.925 118.700 -0.019 0.000 2.727 36 N HA -0.243 4.496 4.740 -0.000 0.000 0.249 36 N C 0.589 176.132 175.510 0.056 0.000 1.048 36 N CA 1.344 54.402 53.050 0.014 0.000 0.714 36 N CB -1.318 37.173 38.487 0.008 0.000 0.959 36 N HN 0.975 nan 8.380 nan 0.000 0.544 37 G N -1.284 107.579 108.800 0.105 0.000 2.159 37 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.256 37 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.256 37 G C -0.045 174.922 174.900 0.113 0.000 0.977 37 G CA 0.884 46.070 45.100 0.143 0.000 0.652 37 G HN 0.528 nan 8.290 nan 0.000 0.531 38 K N -0.103 120.349 120.400 0.085 0.000 2.371 38 K HA 0.580 4.900 4.320 -0.000 0.000 0.251 38 K C 0.163 176.800 176.600 0.062 0.000 0.934 38 K CA -0.952 55.371 56.287 0.061 0.000 0.798 38 K CB 2.870 35.386 32.500 0.027 0.000 1.204 38 K HN 0.011 nan 8.250 nan 0.000 0.427 39 V N 4.136 124.085 119.914 0.058 0.000 2.485 39 V HA -0.049 4.071 4.120 -0.000 0.000 0.287 39 V C 1.297 177.397 176.094 0.010 0.000 1.022 39 V CA 0.643 62.973 62.300 0.050 0.000 1.067 39 V CB 0.423 32.276 31.823 0.049 0.000 0.967 39 V HN 0.834 nan 8.190 nan 0.000 0.479 40 K N 2.188 122.589 120.400 0.002 0.000 2.367 40 K HA 0.267 4.587 4.320 -0.000 0.000 0.195 40 K C 0.002 176.552 176.600 -0.083 0.000 1.060 40 K CA -0.025 56.245 56.287 -0.029 0.000 1.022 40 K CB 0.808 33.300 32.500 -0.013 0.000 0.894 40 K HN 0.583 nan 8.250 nan 0.000 0.540 41 D N -0.242 120.091 120.400 -0.112 0.000 2.655 41 D HA 0.565 5.205 4.640 -0.000 0.000 0.229 41 D C -1.895 174.157 176.300 -0.413 0.000 1.229 41 D CA -0.428 53.375 54.000 -0.328 0.000 0.807 41 D CB 2.525 43.115 40.800 -0.351 0.000 1.514 41 D HN 0.235 nan 8.370 nan 0.000 0.444 42 A N 1.410 123.767 122.820 -0.772 0.000 2.556 42 A HA 0.786 5.106 4.320 -0.000 0.000 0.294 42 A C -1.733 175.328 177.584 -0.872 0.000 1.091 42 A CA -0.774 50.952 52.037 -0.518 0.000 0.704 42 A CB 1.826 20.690 19.000 -0.227 0.000 1.300 42 A HN 0.380 nan 8.150 nan 0.000 0.406 43 W N 0.843 122.048 121.300 -0.159 0.000 3.042 43 W HA 0.469 5.129 4.660 -0.001 0.000 0.337 43 W C -0.188 176.298 176.519 -0.054 0.000 1.086 43 W CA -0.516 56.667 57.345 -0.271 0.000 1.236 43 W CB 2.290 31.397 29.460 -0.589 0.000 1.381 43 W HN 0.717 nan 8.180 nan 0.000 0.472 44 S N 2.373 118.238 115.700 0.275 0.000 2.404 44 S HA 0.295 4.765 4.470 -0.000 0.000 0.309 44 S C -0.349 174.465 174.600 0.356 0.000 1.076 44 S CA 0.004 58.352 58.200 0.247 0.000 1.095 44 S CB 0.676 63.952 63.200 0.126 0.000 0.972 44 S HN 0.325 nan 8.310 nan 0.000 0.484 45 S N 4.521 120.412 115.700 0.319 0.000 2.532 45 S HA 0.441 4.911 4.470 -0.000 0.000 0.318 45 S C -0.284 174.511 174.600 0.325 0.000 1.083 45 S CA -0.622 57.779 58.200 0.334 0.000 1.131 45 S CB 0.216 63.628 63.200 0.354 0.000 0.973 45 S HN 0.698 nan 8.310 nan 0.000 0.468 46 S N 4.337 120.227 115.700 0.317 0.000 2.528 46 S HA 0.214 4.684 4.470 -0.000 0.000 0.277 46 S C 0.822 175.800 174.600 0.631 0.000 1.297 46 S CA -0.561 57.885 58.200 0.409 0.000 1.052 46 S CB 1.012 64.437 63.200 0.376 0.000 0.917 46 S HN 0.728 nan 8.310 nan 0.000 0.492 47 Q N 0.930 121.066 119.800 0.560 0.000 2.247 47 Q HA 0.299 4.639 4.340 -0.000 0.000 0.211 47 Q C -0.646 175.625 176.000 0.453 0.000 0.861 47 Q CA 0.020 56.157 55.803 0.556 0.000 0.949 47 Q CB 0.356 29.316 28.738 0.370 0.000 1.115 47 Q HN 0.555 nan 8.270 nan 0.000 0.507 48 L N 0.009 121.471 121.223 0.398 0.000 2.410 48 L HA 0.550 4.890 4.340 -0.000 0.000 0.270 48 L C -1.669 175.124 176.870 -0.128 0.000 0.983 48 L CA -0.853 54.037 54.840 0.085 0.000 0.822 48 L CB 1.680 43.827 42.059 0.147 0.000 1.285 48 L HN -0.109 nan 8.230 nan 0.000 0.409 49 F N 4.530 124.032 119.950 -0.747 0.000 2.495 49 F HA 0.613 5.140 4.527 -0.000 0.000 0.327 49 F C 0.610 176.150 175.800 -0.433 0.000 1.103 49 F CA -0.238 57.297 58.000 -0.774 0.000 0.949 49 F CB 1.734 39.724 39.000 -1.683 0.000 1.142 49 F HN 0.627 nan 8.300 nan 0.000 0.457 50 R N 2.500 122.417 120.500 -0.971 0.000 2.243 50 R HA 0.314 4.654 4.340 -0.000 0.000 0.193 50 R C 0.542 176.334 176.300 -0.848 0.000 0.933 50 R CA 0.336 56.040 56.100 -0.660 0.000 1.105 50 R CB 0.506 30.599 30.300 -0.345 0.000 1.169 50 R HN 0.946 nan 8.270 nan 0.000 0.599 51 G N 1.693 109.722 108.800 -1.286 0.000 2.255 51 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.239 51 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.239 51 G C 0.540 175.309 174.900 -0.219 0.000 1.083 51 G CA -0.004 44.633 45.100 -0.771 0.000 0.826 51 G HN 0.134 nan 8.290 nan 0.000 0.493 52 L N -0.676 120.445 121.223 -0.170 0.000 2.043 52 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 52 L C 2.795 179.630 176.870 -0.059 0.000 1.075 52 L CA 2.329 57.124 54.840 -0.075 0.000 0.752 52 L CB -0.472 41.548 42.059 -0.064 0.000 0.891 52 L HN 0.506 nan 8.230 nan 0.000 0.432 53 E N 0.397 120.616 120.200 0.031 0.000 2.085 53 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 53 E C 2.234 178.866 176.600 0.055 0.000 0.994 53 E CA 1.377 57.824 56.400 0.077 0.000 0.801 53 E CB -0.163 29.646 29.700 0.180 0.000 0.743 53 E HN 0.506 nan 8.360 nan 0.000 0.453 54 I N 0.662 121.278 120.570 0.078 0.000 2.252 54 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 54 I C 2.278 178.394 176.117 -0.001 0.000 1.102 54 I CA 0.983 62.327 61.300 0.074 0.000 1.385 54 I CB -0.223 37.861 38.000 0.139 0.000 1.064 54 I HN 0.103 nan 8.210 nan 0.000 0.414 55 I N 0.533 121.076 120.570 -0.044 0.000 2.394 55 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 55 I C 2.274 178.239 176.117 -0.254 0.000 1.136 55 I CA 1.295 62.531 61.300 -0.106 0.000 1.425 55 I CB -0.144 37.818 38.000 -0.063 0.000 1.079 55 I HN 0.214 nan 8.210 nan 0.000 0.425 56 L N 0.340 121.396 121.223 -0.278 0.000 2.395 56 L HA -0.069 4.271 4.340 -0.000 0.000 0.218 56 L C 1.311 178.051 176.870 -0.217 0.000 1.130 56 L CA 0.363 54.969 54.840 -0.389 0.000 0.826 56 L CB -0.333 41.475 42.059 -0.417 0.000 0.941 56 L HN 0.108 nan 8.230 nan 0.000 0.451 57 K N 0.475 120.812 120.400 -0.106 0.000 2.451 57 K HA 0.128 4.448 4.320 -0.000 0.000 0.280 57 K C 1.082 177.652 176.600 -0.051 0.000 1.020 57 K CA 0.859 57.124 56.287 -0.037 0.000 1.008 57 K CB 0.336 32.838 32.500 0.003 0.000 0.917 57 K HN 0.212 nan 8.250 nan 0.000 0.478 58 G N 3.316 112.101 108.800 -0.024 0.000 2.179 58 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 58 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 58 G C 0.124 175.004 174.900 -0.034 0.000 0.977 58 G CA 0.124 45.212 45.100 -0.019 0.000 0.641 58 G HN 0.633 nan 8.290 nan 0.000 0.533 59 R N 0.309 120.763 120.500 -0.078 0.000 2.546 59 R HA 0.403 4.743 4.340 -0.000 0.000 0.266 59 R C -0.255 176.024 176.300 -0.035 0.000 1.086 59 R CA -0.572 55.471 56.100 -0.095 0.000 1.160 59 R CB 0.369 30.522 30.300 -0.245 0.000 1.138 59 R HN 0.177 nan 8.270 nan 0.000 0.567 60 D N 1.472 121.871 120.400 -0.002 0.000 2.401 60 D HA 0.025 4.664 4.640 -0.000 0.000 0.254 60 D C -1.654 174.674 176.300 0.046 0.000 1.192 60 D CA -1.849 52.179 54.000 0.048 0.000 0.885 60 D CB 1.212 42.060 40.800 0.081 0.000 1.147 60 D HN 0.130 nan 8.370 nan 0.000 0.478 61 P HA -0.119 nan 4.420 nan 0.000 0.218 61 P C 1.126 178.452 177.300 0.043 0.000 1.146 61 P CA 1.049 64.190 63.100 0.069 0.000 0.813 61 P CB 0.217 31.969 31.700 0.086 0.000 0.778 62 R N -0.624 119.919 120.500 0.073 0.000 2.152 62 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 62 R C 1.392 177.748 176.300 0.093 0.000 1.117 62 R CA 1.226 57.370 56.100 0.072 0.000 0.981 62 R CB -0.602 29.798 30.300 0.167 0.000 0.870 62 R HN 0.237 nan 8.270 nan 0.000 0.451 63 D N 0.373 120.852 120.400 0.131 0.000 2.317 63 D HA -0.002 4.638 4.640 -0.000 0.000 0.211 63 D C 1.697 178.115 176.300 0.196 0.000 0.966 63 D CA 0.802 54.954 54.000 0.253 0.000 0.876 63 D CB -0.053 40.913 40.800 0.277 0.000 0.927 63 D HN 0.185 nan 8.370 nan 0.000 0.519 64 A N 1.603 124.415 122.820 -0.014 0.000 1.892 64 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 64 A C 2.171 179.675 177.584 -0.133 0.000 1.188 64 A CA 2.362 54.284 52.037 -0.191 0.000 0.631 64 A CB -0.909 17.918 19.000 -0.287 0.000 0.822 64 A HN 0.432 nan 8.150 nan 0.000 0.447 65 Q N -1.583 118.116 119.800 -0.168 0.000 2.181 65 Q HA -0.238 4.102 4.340 -0.000 0.000 0.205 65 Q C 1.783 177.641 176.000 -0.238 0.000 0.980 65 Q CA 1.806 57.472 55.803 -0.228 0.000 0.862 65 Q CB -0.597 27.921 28.738 -0.367 0.000 0.905 65 Q HN 0.788 nan 8.270 nan 0.000 0.429 66 H N -0.709 118.366 119.070 0.008 0.000 2.403 66 H HA 0.019 4.575 4.556 -0.000 0.000 0.298 66 H C 1.660 176.891 175.328 -0.162 0.000 1.059 66 H CA 1.064 57.064 56.048 -0.080 0.000 1.363 66 H CB -0.250 29.453 29.762 -0.099 0.000 1.410 66 H HN 0.284 nan 8.280 nan 0.000 0.528 67 F N 1.492 121.411 119.950 -0.052 0.000 2.075 67 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 67 F C 2.967 178.667 175.800 -0.166 0.000 1.113 67 F CA 1.921 59.847 58.000 -0.124 0.000 1.218 67 F CB -0.687 38.213 39.000 -0.167 0.000 0.984 67 F HN 0.203 nan 8.300 nan 0.000 0.472 68 T N -2.227 112.330 114.554 0.006 0.000 2.915 68 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 68 T C 1.842 176.536 174.700 -0.011 0.000 1.071 68 T CA 1.259 63.321 62.100 -0.063 0.000 1.132 68 T CB -0.614 68.246 68.868 -0.013 0.000 0.878 68 T HN 0.376 nan 8.240 nan 0.000 0.479 69 Q N 0.562 120.370 119.800 0.013 0.000 2.181 69 Q HA -0.114 4.225 4.340 -0.000 0.000 0.205 69 Q C 1.977 177.945 176.000 -0.054 0.000 0.980 69 Q CA 1.204 57.030 55.803 0.039 0.000 0.862 69 Q CB -0.062 28.666 28.738 -0.016 0.000 0.905 69 Q HN 0.341 nan 8.270 nan 0.000 0.429 70 R N -0.360 120.029 120.500 -0.185 0.000 2.323 70 R HA 0.107 4.447 4.340 -0.000 0.000 0.198 70 R C 1.611 177.892 176.300 -0.032 0.000 0.988 70 R CA 0.670 56.677 56.100 -0.154 0.000 1.041 70 R CB -0.437 29.745 30.300 -0.196 0.000 0.926 70 R HN 0.330 nan 8.270 nan 0.000 0.476 71 A N -0.677 122.087 122.820 -0.092 0.000 1.978 71 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 71 A C 0.801 178.402 177.584 0.028 0.000 1.170 71 A CA 1.276 53.229 52.037 -0.140 0.000 0.636 71 A CB -0.100 18.545 19.000 -0.592 0.000 0.810 71 A HN 0.400 nan 8.150 nan 0.000 0.448 72 C N -3.604 115.793 119.300 0.162 0.000 3.146 72 C HA 0.543 5.003 4.460 -0.000 0.000 0.405 72 C C 1.217 176.403 174.990 0.326 0.000 1.012 72 C CA -0.309 58.853 59.018 0.239 0.000 1.217 72 C CB 0.884 28.788 27.740 0.274 0.000 1.599 72 C HN 0.540 nan 8.230 nan 0.000 0.567 73 G N 3.137 112.062 108.800 0.208 0.000 2.986 73 G HA2 0.087 4.047 3.960 -0.000 0.000 0.213 73 G HA3 0.087 4.047 3.960 -0.000 0.000 0.213 73 G C 1.007 175.919 174.900 0.019 0.000 1.156 73 G CA 0.643 45.747 45.100 0.006 0.000 0.763 73 G HN 0.781 nan 8.290 nan 0.000 0.547 74 M N 0.841 120.501 119.600 0.101 0.000 2.115 74 M HA 0.018 4.498 4.480 -0.000 0.000 0.261 74 M C 1.653 178.044 176.300 0.151 0.000 1.079 74 M CA 1.171 56.545 55.300 0.124 0.000 1.143 74 M CB -0.012 32.668 32.600 0.133 0.000 1.332 74 M HN 0.209 nan 8.290 nan 0.000 0.421 75 C N 1.670 121.070 119.300 0.166 0.000 3.089 75 C HA 0.355 4.815 4.460 -0.000 0.000 0.548 75 C C 1.011 176.120 174.990 0.199 0.000 1.205 75 C CA -1.121 57.994 59.018 0.161 0.000 1.398 75 C CB -2.513 25.302 27.740 0.125 0.000 1.764 75 C HN 0.478 nan 8.230 nan 0.000 0.638 76 T N 0.095 114.763 114.554 0.191 0.000 2.788 76 T HA 0.140 4.490 4.350 -0.000 0.000 0.333 76 T C 0.564 175.461 174.700 0.329 0.000 1.090 76 T CA 1.781 64.032 62.100 0.253 0.000 1.094 76 T CB 0.088 69.021 68.868 0.109 0.000 0.999 76 T HN 1.463 nan 8.240 nan 0.000 0.549 77 Y N 1.023 121.448 120.300 0.208 0.000 2.802 77 Y HA -0.389 4.161 4.550 -0.000 0.000 0.485 77 Y C 1.603 177.556 175.900 0.089 0.000 1.190 77 Y CA 3.337 61.535 58.100 0.163 0.000 2.757 77 Y CB -2.137 36.422 38.460 0.164 0.000 0.919 77 Y HN 0.499 nan 8.280 nan 0.000 0.540 78 V N -0.967 118.836 119.914 -0.186 0.000 2.392 78 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 78 V C 2.236 178.033 176.094 -0.494 0.000 1.059 78 V CA 2.569 64.603 62.300 -0.443 0.000 1.051 78 V CB -0.943 30.721 31.823 -0.266 0.000 0.658 78 V HN 0.693 nan 8.190 nan 0.000 0.455 79 H N 0.887 119.868 119.070 -0.149 0.000 2.395 79 H HA 0.187 4.743 4.556 -0.000 0.000 0.299 79 H C 2.545 177.778 175.328 -0.158 0.000 1.070 79 H CA 1.666 57.656 56.048 -0.097 0.000 1.356 79 H CB -0.270 29.572 29.762 0.133 0.000 1.401 79 H HN 0.596 nan 8.280 nan 0.000 0.524 80 A N 1.429 124.207 122.820 -0.070 0.000 1.902 80 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 80 A C 2.490 179.894 177.584 -0.300 0.000 1.181 80 A CA 1.263 53.212 52.037 -0.147 0.000 0.623 80 A CB -0.746 18.218 19.000 -0.060 0.000 0.818 80 A HN 0.267 nan 8.150 nan 0.000 0.443 81 L N -0.082 120.818 121.223 -0.538 0.000 1.989 81 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 81 L C 2.704 179.314 176.870 -0.433 0.000 1.071 81 L CA 2.447 56.949 54.840 -0.565 0.000 0.749 81 L CB -1.011 40.529 42.059 -0.864 0.000 0.890 81 L HN 0.346 nan 8.230 nan 0.000 0.431 82 A N -1.740 120.770 122.820 -0.517 0.000 1.933 82 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 82 A C 2.411 179.735 177.584 -0.433 0.000 1.175 82 A CA 2.041 53.717 52.037 -0.602 0.000 0.628 82 A CB -0.915 17.498 19.000 -0.979 0.000 0.814 82 A HN 0.548 nan 8.150 nan 0.000 0.444 83 S N -0.127 115.434 115.700 -0.232 0.000 2.371 83 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 83 S C 2.321 176.894 174.600 -0.044 0.000 1.029 83 S CA 1.330 59.610 58.200 0.133 0.000 0.978 83 S CB -0.239 63.106 63.200 0.242 0.000 0.833 83 S HN 0.661 nan 8.310 nan 0.000 0.466 84 S N 1.549 117.149 115.700 -0.167 0.000 2.368 84 S HA -0.056 4.414 4.470 -0.000 0.000 0.225 84 S C 1.905 176.375 174.600 -0.216 0.000 1.030 84 S CA 0.945 59.019 58.200 -0.212 0.000 0.999 84 S CB -0.210 62.839 63.200 -0.251 0.000 0.844 84 S HN 0.418 nan 8.310 nan 0.000 0.459 85 R N 0.154 120.512 120.500 -0.236 0.000 2.091 85 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 85 R C 2.736 178.901 176.300 -0.225 0.000 1.136 85 R CA 1.468 57.423 56.100 -0.242 0.000 0.959 85 R CB -0.870 29.250 30.300 -0.299 0.000 0.856 85 R HN 0.512 nan 8.270 nan 0.000 0.437 86 C N 0.246 119.419 119.300 -0.212 0.000 2.432 86 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 86 C C 2.583 177.492 174.990 -0.135 0.000 1.249 86 C CA 0.660 59.562 59.018 -0.192 0.000 1.725 86 C CB -0.678 26.965 27.740 -0.163 0.000 2.028 86 C HN 0.281 nan 8.230 nan 0.000 0.477 87 V N 1.379 121.226 119.914 -0.113 0.000 2.379 87 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 87 V C 2.324 178.295 176.094 -0.206 0.000 1.044 87 V CA 2.347 64.567 62.300 -0.133 0.000 1.036 87 V CB -0.783 30.950 31.823 -0.151 0.000 0.664 87 V HN 0.501 nan 8.190 nan 0.000 0.453 88 D N 0.245 120.504 120.400 -0.234 0.000 2.133 88 D HA -0.226 4.413 4.640 -0.000 0.000 0.195 88 D C 1.919 178.131 176.300 -0.146 0.000 0.997 88 D CA 1.947 55.811 54.000 -0.227 0.000 0.840 88 D CB -0.295 40.384 40.800 -0.202 0.000 0.947 88 D HN 0.521 nan 8.370 nan 0.000 0.452 89 D N 0.115 120.437 120.400 -0.130 0.000 2.117 89 D HA -0.060 4.580 4.640 -0.000 0.000 0.198 89 D C 1.943 178.210 176.300 -0.056 0.000 0.982 89 D CA 1.602 55.548 54.000 -0.091 0.000 0.828 89 D CB -0.120 40.615 40.800 -0.109 0.000 0.967 89 D HN 0.090 nan 8.370 nan 0.000 0.464 90 A N 0.059 122.845 122.820 -0.056 0.000 1.933 90 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 90 A C 2.333 179.912 177.584 -0.007 0.000 1.175 90 A CA 2.013 54.036 52.037 -0.024 0.000 0.628 90 A CB -0.781 18.211 19.000 -0.014 0.000 0.814 90 A HN 0.387 nan 8.150 nan 0.000 0.444 91 V N -4.489 115.410 119.914 -0.025 0.000 3.608 91 V HA 0.271 4.391 4.120 -0.000 0.000 0.269 91 V C 0.612 176.738 176.094 0.053 0.000 1.245 91 V CA 0.791 63.117 62.300 0.044 0.000 1.138 91 V CB -0.977 30.884 31.823 0.063 0.000 0.841 91 V HN 0.500 nan 8.190 nan 0.000 0.451 92 K N -0.521 119.882 120.400 0.006 0.000 3.161 92 K HA -0.126 4.194 4.320 -0.000 0.000 0.270 92 K C -0.282 176.333 176.600 0.025 0.000 1.115 92 K CA 0.767 57.061 56.287 0.011 0.000 0.789 92 K CB -1.710 30.806 32.500 0.026 0.000 1.256 92 K HN 0.534 nan 8.250 nan 0.000 0.492 93 V N 0.604 120.518 119.914 -0.000 0.000 2.472 93 V HA 0.482 4.602 4.120 -0.000 0.000 0.290 93 V C -0.314 175.770 176.094 -0.018 0.000 1.037 93 V CA -0.180 62.129 62.300 0.015 0.000 0.908 93 V CB 1.918 33.757 31.823 0.027 0.000 0.985 93 V HN 0.281 nan 8.190 nan 0.000 0.454 94 S N 7.311 123.013 115.700 0.004 0.000 2.420 94 S HA 0.486 4.956 4.470 -0.000 0.000 0.313 94 S C -0.159 174.439 174.600 -0.003 0.000 1.079 94 S CA -0.858 57.338 58.200 -0.007 0.000 1.104 94 S CB 0.237 63.440 63.200 0.005 0.000 0.969 94 S HN 0.817 nan 8.310 nan 0.000 0.471 95 I N 3.096 123.651 120.570 -0.024 0.000 2.754 95 I HA 0.470 4.640 4.170 -0.000 0.000 0.285 95 I C -2.410 173.705 176.117 -0.004 0.000 1.166 95 I CA -1.881 59.405 61.300 -0.022 0.000 1.417 95 I CB -0.127 37.841 38.000 -0.052 0.000 1.382 95 I HN 0.332 nan 8.210 nan 0.000 0.588 96 P HA 0.119 nan 4.420 nan 0.000 0.272 96 P C 0.416 177.721 177.300 0.007 0.000 1.230 96 P CA -0.155 62.955 63.100 0.017 0.000 0.788 96 P CB 0.879 32.598 31.700 0.032 0.000 0.949 97 A N 2.315 125.143 122.820 0.013 0.000 1.903 97 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 97 A C 1.937 179.524 177.584 0.005 0.000 1.191 97 A CA 2.105 54.147 52.037 0.009 0.000 0.638 97 A CB -1.425 17.585 19.000 0.017 0.000 0.823 97 A HN 0.569 nan 8.150 nan 0.000 0.451 98 N N 0.254 118.962 118.700 0.012 0.000 2.149 98 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 98 N C 1.857 177.365 175.510 -0.004 0.000 1.019 98 N CA 1.616 54.671 53.050 0.007 0.000 0.857 98 N CB -0.598 37.900 38.487 0.018 0.000 0.997 98 N HN 0.530 nan 8.380 nan 0.000 0.426 99 A N 1.384 124.199 122.820 -0.008 0.000 1.898 99 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 99 A C 2.275 179.855 177.584 -0.006 0.000 1.181 99 A CA 1.097 53.126 52.037 -0.013 0.000 0.620 99 A CB -0.458 18.520 19.000 -0.036 0.000 0.819 99 A HN 0.211 nan 8.150 nan 0.000 0.442 100 R N -0.717 119.773 120.500 -0.017 0.000 2.091 100 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 100 R C 2.099 178.378 176.300 -0.036 0.000 1.136 100 R CA 1.992 58.076 56.100 -0.026 0.000 0.959 100 R CB -0.339 29.944 30.300 -0.029 0.000 0.856 100 R HN 0.568 nan 8.270 nan 0.000 0.437 101 M N -0.114 119.465 119.600 -0.035 0.000 2.099 101 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 101 M C 2.530 178.801 176.300 -0.048 0.000 1.067 101 M CA 1.728 56.994 55.300 -0.058 0.000 1.124 101 M CB -0.223 32.360 32.600 -0.029 0.000 1.353 101 M HN 0.236 nan 8.290 nan 0.000 0.410 102 M N -0.058 119.535 119.600 -0.012 0.000 2.117 102 M HA -0.206 4.274 4.480 -0.000 0.000 0.262 102 M C 2.198 178.544 176.300 0.077 0.000 1.065 102 M CA 1.803 57.100 55.300 -0.004 0.000 1.114 102 M CB -0.084 32.542 32.600 0.043 0.000 1.361 102 M HN 0.103 nan 8.290 nan 0.000 0.408 103 R N -0.036 120.557 120.500 0.155 0.000 2.081 103 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 103 R C 1.750 178.162 176.300 0.186 0.000 1.131 103 R CA 1.716 57.973 56.100 0.262 0.000 0.960 103 R CB -0.498 29.892 30.300 0.151 0.000 0.856 103 R HN 0.466 nan 8.270 nan 0.000 0.436 104 N N 0.665 119.386 118.700 0.035 0.000 2.188 104 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 104 N C 1.778 177.281 175.510 -0.012 0.000 1.018 104 N CA 0.929 53.964 53.050 -0.026 0.000 0.858 104 N CB -0.160 38.227 38.487 -0.167 0.000 0.989 104 N HN 0.173 nan 8.380 nan 0.000 0.426 105 L N 0.091 121.282 121.223 -0.052 0.000 2.093 105 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 105 L C 1.969 178.869 176.870 0.051 0.000 1.085 105 L CA 0.622 55.475 54.840 0.023 0.000 0.755 105 L CB -0.164 41.910 42.059 0.026 0.000 0.904 105 L HN -0.009 nan 8.230 nan 0.000 0.435 106 V N -0.667 119.193 119.914 -0.091 0.000 2.427 106 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 106 V C 2.379 178.413 176.094 -0.100 0.000 1.051 106 V CA 1.591 63.727 62.300 -0.273 0.000 1.048 106 V CB -0.306 31.085 31.823 -0.719 0.000 0.666 106 V HN 0.425 nan 8.190 nan 0.000 0.456 107 M N 1.052 120.747 119.600 0.158 0.000 2.117 107 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 107 M C 2.051 178.564 176.300 0.355 0.000 1.065 107 M CA 2.178 57.705 55.300 0.377 0.000 1.114 107 M CB -0.818 31.938 32.600 0.260 0.000 1.361 107 M HN 0.251 nan 8.290 nan 0.000 0.408 108 A N -1.125 121.873 122.820 0.296 0.000 1.877 108 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 108 A C 2.271 179.991 177.584 0.228 0.000 1.186 108 A CA 2.305 54.460 52.037 0.197 0.000 0.620 108 A CB -1.259 17.815 19.000 0.124 0.000 0.822 108 A HN 0.579 nan 8.150 nan 0.000 0.443 109 S N -0.638 115.182 115.700 0.200 0.000 2.383 109 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 109 S C 2.128 176.847 174.600 0.199 0.000 1.030 109 S CA 1.681 59.984 58.200 0.172 0.000 1.002 109 S CB -0.301 62.997 63.200 0.164 0.000 0.829 109 S HN 0.676 nan 8.310 nan 0.000 0.467 110 Q N 0.468 120.404 119.800 0.227 0.000 2.050 110 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 110 Q C 1.620 177.783 176.000 0.272 0.000 0.980 110 Q CA 1.688 57.647 55.803 0.259 0.000 0.840 110 Q CB -0.672 28.254 28.738 0.313 0.000 0.898 110 Q HN 0.563 nan 8.270 nan 0.000 0.424 111 Y N 0.262 120.610 120.300 0.081 0.000 2.114 111 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 111 Y C 2.080 177.924 175.900 -0.094 0.000 1.165 111 Y CA 1.569 59.609 58.100 -0.099 0.000 1.148 111 Y CB -0.465 38.032 38.460 0.061 0.000 0.972 111 Y HN 0.121 nan 8.280 nan 0.000 0.504 112 L N -1.362 120.009 121.223 0.247 0.000 1.994 112 L HA -0.289 4.051 4.340 -0.000 0.000 0.208 112 L C 2.619 179.605 176.870 0.193 0.000 1.071 112 L CA 1.957 56.926 54.840 0.216 0.000 0.745 112 L CB -0.931 41.236 42.059 0.181 0.000 0.892 112 L HN 0.379 nan 8.230 nan 0.000 0.431 113 H N 0.035 119.173 119.070 0.113 0.000 2.321 113 H HA -0.226 4.330 4.556 -0.000 0.000 0.300 113 H C 1.891 177.287 175.328 0.113 0.000 1.087 113 H CA 2.167 58.274 56.048 0.099 0.000 1.319 113 H CB 0.071 29.880 29.762 0.077 0.000 1.379 113 H HN 0.312 nan 8.280 nan 0.000 0.501 114 D N -0.244 120.253 120.400 0.161 0.000 2.084 114 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 114 D C 2.109 178.518 176.300 0.181 0.000 0.990 114 D CA 1.026 55.108 54.000 0.136 0.000 0.826 114 D CB -0.219 40.632 40.800 0.085 0.000 0.971 114 D HN 0.464 nan 8.370 nan 0.000 0.453 115 H N 0.242 119.379 119.070 0.113 0.000 2.387 115 H HA 0.005 4.561 4.556 0.000 0.000 0.299 115 H C 2.330 177.646 175.328 -0.021 0.000 1.090 115 H CA 0.399 56.523 56.048 0.127 0.000 1.332 115 H CB -0.511 29.390 29.762 0.231 0.000 1.386 115 H HN 0.204 nan 8.280 nan 0.000 0.516 116 L N -0.389 120.865 121.223 0.052 0.000 2.027 116 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 116 L C 2.476 179.325 176.870 -0.034 0.000 1.074 116 L CA 0.745 55.535 54.840 -0.084 0.000 0.745 116 L CB -0.297 41.804 42.059 0.069 0.000 0.898 116 L HN 0.094 nan 8.230 nan 0.000 0.433 117 V N -0.722 119.165 119.914 -0.046 0.000 2.287 117 V HA -0.371 3.749 4.120 -0.000 0.000 0.248 117 V C 2.478 178.595 176.094 0.039 0.000 1.053 117 V CA 2.038 64.355 62.300 0.028 0.000 1.027 117 V CB -0.894 30.909 31.823 -0.033 0.000 0.646 117 V HN 0.552 nan 8.190 nan 0.000 0.447 118 H N -0.744 118.340 119.070 0.024 0.000 2.265 118 H HA -0.270 4.286 4.556 -0.000 0.000 0.295 118 H C 2.320 177.660 175.328 0.019 0.000 1.084 118 H CA 2.715 58.788 56.048 0.043 0.000 1.261 118 H CB -0.268 29.551 29.762 0.095 0.000 1.360 118 H HN 0.410 nan 8.280 nan 0.000 0.487 119 F N 0.750 120.573 119.950 -0.211 0.000 2.069 119 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 119 F C 2.044 177.606 175.800 -0.397 0.000 1.113 119 F CA 1.723 59.523 58.000 -0.334 0.000 1.214 119 F CB -0.856 37.778 39.000 -0.610 0.000 0.978 119 F HN 0.114 nan 8.300 nan 0.000 0.474 120 Y N -0.739 119.311 120.300 -0.416 0.000 2.206 120 Y HA -0.073 4.477 4.550 0.000 0.000 0.292 120 Y C 2.536 178.158 175.900 -0.462 0.000 1.123 120 Y CA 2.157 59.930 58.100 -0.546 0.000 1.142 120 Y CB -0.908 37.136 38.460 -0.694 0.000 1.006 120 Y HN 0.196 nan 8.280 nan 0.000 0.518 121 H N -1.923 117.106 119.070 -0.069 0.000 2.595 121 H HA 0.087 4.643 4.556 -0.000 0.000 0.265 121 H C 1.600 176.896 175.328 -0.054 0.000 0.953 121 H CA 0.785 56.772 56.048 -0.103 0.000 1.197 121 H CB 0.309 29.947 29.762 -0.208 0.000 1.438 121 H HN 0.221 nan 8.280 nan 0.000 0.531 122 M N -1.385 118.147 119.600 -0.114 0.000 2.858 122 M HA 0.082 4.562 4.480 -0.000 0.000 0.255 122 M C 1.527 177.568 176.300 -0.432 0.000 1.336 122 M CA 1.208 56.339 55.300 -0.282 0.000 1.220 122 M CB -0.309 32.078 32.600 -0.355 0.000 1.252 122 M HN 0.311 nan 8.290 nan 0.000 0.538 123 H N 0.440 119.160 119.070 -0.584 0.000 2.388 123 H HA 0.239 4.795 4.556 -0.000 0.000 0.304 123 H C 2.185 177.376 175.328 -0.228 0.000 1.049 123 H CA 0.851 56.637 56.048 -0.438 0.000 1.371 123 H CB 0.610 30.137 29.762 -0.393 0.000 1.436 123 H HN 0.351 nan 8.280 nan 0.000 0.544 124 A N 1.290 123.926 122.820 -0.307 0.000 1.948 124 A HA -0.178 4.141 4.320 -0.000 0.000 0.220 124 A C 2.238 179.797 177.584 -0.043 0.000 1.177 124 A CA 1.265 53.125 52.037 -0.296 0.000 0.636 124 A CB -0.911 17.831 19.000 -0.431 0.000 0.815 124 A HN 0.435 nan 8.150 nan 0.000 0.449 125 L N -0.359 120.883 121.223 0.031 0.000 2.549 125 L HA -0.150 4.190 4.340 -0.000 0.000 0.230 125 L C 1.175 178.151 176.870 0.176 0.000 1.162 125 L CA 0.774 55.706 54.840 0.153 0.000 0.834 125 L CB -0.542 41.676 42.059 0.264 0.000 0.947 125 L HN 0.320 nan 8.230 nan 0.000 0.452 126 D N -1.117 119.213 120.400 -0.117 0.000 2.289 126 D HA -0.104 4.536 4.640 -0.000 0.000 0.207 126 D C 1.574 177.239 176.300 -1.059 0.000 0.966 126 D CA 1.026 54.714 54.000 -0.520 0.000 0.868 126 D CB 0.085 40.403 40.800 -0.803 0.000 0.943 126 D HN 0.423 nan 8.370 nan 0.000 0.514 127 W N 0.032 121.008 121.300 -0.540 0.000 2.904 127 W HA 0.236 4.896 4.660 -0.000 0.000 0.265 127 W C 0.164 176.548 176.519 -0.226 0.000 1.138 127 W CA -0.157 56.769 57.345 -0.699 0.000 1.455 127 W CB 0.558 29.566 29.460 -0.754 0.000 0.924 127 W HN -0.368 nan 8.180 nan 0.000 0.619 128 V N 2.323 122.312 119.914 0.125 0.000 2.398 128 V HA 0.175 4.295 4.120 -0.000 0.000 0.286 128 V C -0.617 175.372 176.094 -0.174 0.000 1.026 128 V CA -0.612 61.705 62.300 0.029 0.000 0.868 128 V CB 1.439 33.218 31.823 -0.074 0.000 0.982 128 V HN -0.147 nan 8.190 nan 0.000 0.443 129 D N 4.252 124.466 120.400 -0.309 0.000 2.411 129 D HA 0.208 4.848 4.640 -0.000 0.000 0.225 129 D C 0.847 176.604 176.300 -0.904 0.000 1.156 129 D CA -0.121 53.323 54.000 -0.927 0.000 0.874 129 D CB 1.734 42.255 40.800 -0.467 0.000 1.034 129 D HN 0.221 nan 8.370 nan 0.000 0.502 130 V N 3.420 122.524 119.914 -1.349 0.000 2.407 130 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 130 V C 2.555 178.342 176.094 -0.512 0.000 1.055 130 V CA 2.392 64.205 62.300 -0.811 0.000 1.049 130 V CB -0.861 30.391 31.823 -0.952 0.000 0.662 130 V HN 0.742 nan 8.190 nan 0.000 0.455 131 T N -1.106 113.210 114.554 -0.397 0.000 2.915 131 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 131 T C 1.911 176.527 174.700 -0.140 0.000 1.071 131 T CA 1.250 63.260 62.100 -0.150 0.000 1.132 131 T CB -0.410 68.471 68.868 0.023 0.000 0.878 131 T HN 0.462 nan 8.240 nan 0.000 0.479 132 A N 1.884 124.588 122.820 -0.192 0.000 1.972 132 A HA 0.344 4.664 4.320 -0.000 0.000 0.219 132 A C 2.826 180.332 177.584 -0.131 0.000 1.169 132 A CA 1.618 53.573 52.037 -0.136 0.000 0.635 132 A CB -1.363 17.553 19.000 -0.140 0.000 0.810 132 A HN 0.725 nan 8.150 nan 0.000 0.446 133 A N 0.143 122.858 122.820 -0.176 0.000 1.958 133 A HA -0.176 4.143 4.320 -0.000 0.000 0.221 133 A C 2.047 179.572 177.584 -0.098 0.000 1.178 133 A CA 1.688 53.638 52.037 -0.145 0.000 0.642 133 A CB -0.709 18.183 19.000 -0.179 0.000 0.816 133 A HN 0.527 nan 8.150 nan 0.000 0.453 134 L N -1.415 119.754 121.223 -0.089 0.000 2.353 134 L HA -0.175 4.165 4.340 -0.000 0.000 0.220 134 L C 2.236 179.083 176.870 -0.039 0.000 1.133 134 L CA 1.473 56.282 54.840 -0.053 0.000 0.798 134 L CB -0.342 41.695 42.059 -0.038 0.000 0.922 134 L HN 0.376 nan 8.230 nan 0.000 0.445 135 K N 0.201 120.574 120.400 -0.045 0.000 2.365 135 K HA 0.150 4.470 4.320 -0.000 0.000 0.197 135 K C 1.001 177.583 176.600 -0.031 0.000 1.042 135 K CA 0.143 56.410 56.287 -0.032 0.000 0.987 135 K CB 0.094 32.576 32.500 -0.031 0.000 0.779 135 K HN 0.200 nan 8.250 nan 0.000 0.484 136 A N 2.003 124.799 122.820 -0.040 0.000 2.483 136 A HA -0.042 4.278 4.320 -0.000 0.000 0.238 136 A C -0.239 177.330 177.584 -0.025 0.000 1.070 136 A CA -0.095 51.920 52.037 -0.036 0.000 0.770 136 A CB 0.164 19.135 19.000 -0.048 0.000 1.008 136 A HN 0.186 nan 8.150 nan 0.000 0.497 137 D N 2.404 122.792 120.400 -0.018 0.000 2.295 137 D HA 0.259 4.899 4.640 -0.000 0.000 0.248 137 D C -1.749 174.543 176.300 -0.013 0.000 1.154 137 D CA -1.601 52.392 54.000 -0.013 0.000 0.857 137 D CB 1.316 42.111 40.800 -0.007 0.000 1.117 137 D HN 0.120 nan 8.370 nan 0.000 0.468 138 P HA -0.120 nan 4.420 nan 0.000 0.215 138 P C 0.706 178.002 177.300 -0.007 0.000 1.157 138 P CA 1.197 64.290 63.100 -0.012 0.000 0.868 138 P CB 0.309 32.004 31.700 -0.009 0.000 0.788 139 N N -0.491 118.207 118.700 -0.003 0.000 2.104 139 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 139 N C 1.538 177.049 175.510 0.001 0.000 1.024 139 N CA 1.262 54.312 53.050 -0.000 0.000 0.853 139 N CB -0.462 38.025 38.487 0.001 0.000 1.008 139 N HN 0.210 nan 8.380 nan 0.000 0.424 140 K N 0.233 120.633 120.400 -0.000 0.000 2.097 140 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 140 K C 2.089 178.691 176.600 0.003 0.000 1.050 140 K CA 1.041 57.330 56.287 0.002 0.000 0.938 140 K CB -0.105 32.395 32.500 0.001 0.000 0.718 140 K HN 0.179 nan 8.250 nan 0.000 0.442 141 A N 1.696 124.513 122.820 -0.005 0.000 1.898 141 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 141 A C 2.400 179.984 177.584 -0.001 0.000 1.181 141 A CA 1.745 53.777 52.037 -0.009 0.000 0.620 141 A CB -0.661 18.323 19.000 -0.025 0.000 0.819 141 A HN 0.311 nan 8.150 nan 0.000 0.442 142 A N -0.178 122.643 122.820 0.001 0.000 1.883 142 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 142 A C 2.153 179.745 177.584 0.013 0.000 1.186 142 A CA 2.135 54.178 52.037 0.009 0.000 0.624 142 A CB -0.497 18.508 19.000 0.008 0.000 0.822 142 A HN 0.544 nan 8.150 nan 0.000 0.444 143 K N -0.884 119.523 120.400 0.011 0.000 2.057 143 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 143 K C 1.937 178.547 176.600 0.017 0.000 1.049 143 K CA 1.417 57.712 56.287 0.012 0.000 0.931 143 K CB -0.281 32.225 32.500 0.010 0.000 0.714 143 K HN 0.365 nan 8.250 nan 0.000 0.440 144 L N 1.087 122.322 121.223 0.021 0.000 1.976 144 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 144 L C 2.203 179.094 176.870 0.034 0.000 1.071 144 L CA 2.303 57.162 54.840 0.031 0.000 0.746 144 L CB -1.052 41.029 42.059 0.037 0.000 0.890 144 L HN 0.192 nan 8.230 nan 0.000 0.432 145 A N -0.248 122.592 122.820 0.034 0.000 1.958 145 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 145 A C 2.463 180.071 177.584 0.039 0.000 1.178 145 A CA 2.351 54.416 52.037 0.046 0.000 0.642 145 A CB -1.384 17.646 19.000 0.051 0.000 0.816 145 A HN 0.705 nan 8.150 nan 0.000 0.453 146 A N -0.073 122.763 122.820 0.028 0.000 1.940 146 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 146 A C 2.347 179.938 177.584 0.012 0.000 1.176 146 A CA 2.315 54.364 52.037 0.019 0.000 0.631 146 A CB -0.707 18.302 19.000 0.014 0.000 0.814 146 A HN 1.108 nan 8.150 nan 0.000 0.446 147 S N -0.913 114.795 115.700 0.013 0.000 2.556 147 S HA 0.226 4.696 4.470 -0.000 0.000 0.216 147 S C 1.152 175.755 174.600 0.004 0.000 0.970 147 S CA 0.414 58.617 58.200 0.006 0.000 0.912 147 S CB -0.395 62.808 63.200 0.006 0.000 0.790 147 S HN 0.873 nan 8.310 nan 0.000 0.504 148 I N -2.421 118.157 120.570 0.014 0.000 4.240 148 I HA 0.788 4.958 4.170 -0.000 0.000 0.331 148 I C 0.126 176.247 176.117 0.007 0.000 1.381 148 I CA -0.644 60.663 61.300 0.012 0.000 1.136 148 I CB 0.772 38.794 38.000 0.036 0.000 1.137 148 I HN 0.258 nan 8.210 nan 0.000 0.411 149 A N 0.794 123.619 122.820 0.008 0.000 2.608 149 A HA 0.772 5.092 4.320 -0.000 0.000 0.292 149 A C -3.008 174.572 177.584 -0.006 0.000 1.066 149 A CA -1.119 50.917 52.037 -0.001 0.000 0.676 149 A CB 0.257 19.276 19.000 0.032 0.000 1.277 149 A HN -0.022 nan 8.150 nan 0.000 0.413 150 P HA 0.386 nan 4.420 nan 0.000 0.267 150 P C 0.124 177.420 177.300 -0.007 0.000 1.200 150 P CA 0.353 63.440 63.100 -0.023 0.000 0.772 150 P CB 0.571 32.248 31.700 -0.039 0.000 0.855 151 A N 4.011 126.828 122.820 -0.004 0.000 2.565 151 A HA 0.308 4.628 4.320 -0.000 0.000 0.237 151 A C 0.567 178.155 177.584 0.007 0.000 1.053 151 A CA 0.385 52.425 52.037 0.005 0.000 0.755 151 A CB -0.422 18.579 19.000 0.001 0.000 0.980 151 A HN 0.710 nan 8.150 nan 0.000 0.506 152 R N 2.168 122.679 120.500 0.020 0.000 2.604 152 R HA 0.415 4.755 4.340 -0.000 0.000 0.261 152 R C -2.911 173.409 176.300 0.034 0.000 1.080 152 R CA -1.337 54.778 56.100 0.025 0.000 0.917 152 R CB 0.810 31.126 30.300 0.027 0.000 1.252 152 R HN 0.357 nan 8.270 nan 0.000 0.456 153 P HA -0.082 nan 4.420 nan 0.000 0.220 153 P C 1.276 178.599 177.300 0.038 0.000 1.148 153 P CA 1.648 64.764 63.100 0.027 0.000 0.803 153 P CB -0.029 31.682 31.700 0.019 0.000 0.782 154 G N 0.312 109.144 108.800 0.054 0.000 2.498 154 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 154 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 154 G C 1.173 176.137 174.900 0.106 0.000 1.119 154 G CA 0.359 45.506 45.100 0.080 0.000 0.766 154 G HN 0.261 nan 8.290 nan 0.000 0.552 155 N N 0.307 119.067 118.700 0.100 0.000 2.251 155 N HA 0.109 4.849 4.740 -0.000 0.000 0.217 155 N C 0.759 176.297 175.510 0.046 0.000 1.124 155 N CA 0.078 53.184 53.050 0.092 0.000 0.843 155 N CB 0.673 39.228 38.487 0.114 0.000 1.024 155 N HN 0.337 nan 8.380 nan 0.000 0.501 156 S N -0.766 114.955 115.700 0.036 0.000 2.603 156 S HA 0.494 4.964 4.470 -0.000 0.000 0.268 156 S C 1.603 176.211 174.600 0.014 0.000 1.317 156 S CA -0.244 57.969 58.200 0.022 0.000 1.012 156 S CB 1.704 64.915 63.200 0.018 0.000 0.926 156 S HN 0.174 nan 8.310 nan 0.000 0.539 157 A N 2.366 125.192 122.820 0.009 0.000 1.892 157 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 157 A C 2.194 179.780 177.584 0.003 0.000 1.188 157 A CA 1.986 54.025 52.037 0.004 0.000 0.631 157 A CB -1.063 17.939 19.000 0.004 0.000 0.822 157 A HN 0.950 nan 8.150 nan 0.000 0.447 158 K N -0.557 119.846 120.400 0.005 0.000 2.044 158 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 158 K C 2.140 178.742 176.600 0.005 0.000 1.049 158 K CA 1.494 57.784 56.287 0.005 0.000 0.927 158 K CB -0.330 32.174 32.500 0.006 0.000 0.713 158 K HN 0.415 nan 8.250 nan 0.000 0.443 159 A N 0.881 123.705 122.820 0.008 0.000 2.014 159 A HA -0.023 4.296 4.320 -0.000 0.000 0.218 159 A C 2.064 179.651 177.584 0.004 0.000 1.163 159 A CA 0.775 52.817 52.037 0.008 0.000 0.652 159 A CB -0.256 18.754 19.000 0.017 0.000 0.808 159 A HN 0.275 nan 8.150 nan 0.000 0.449 160 L N -0.866 120.357 121.223 0.001 0.000 2.095 160 L HA -0.101 4.238 4.340 -0.000 0.000 0.204 160 L C 2.591 179.453 176.870 -0.013 0.000 1.080 160 L CA 1.417 56.250 54.840 -0.012 0.000 0.759 160 L CB -0.438 41.610 42.059 -0.018 0.000 0.914 160 L HN 0.411 nan 8.230 nan 0.000 0.439 161 K N 0.714 121.110 120.400 -0.007 0.000 2.032 161 K HA -0.223 4.096 4.320 -0.000 0.000 0.209 161 K C 2.111 178.710 176.600 -0.002 0.000 1.048 161 K CA 1.613 57.897 56.287 -0.005 0.000 0.927 161 K CB -0.068 32.431 32.500 -0.001 0.000 0.712 161 K HN 0.262 nan 8.250 nan 0.000 0.441 162 A N 0.697 123.517 122.820 0.001 0.000 1.908 162 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 162 A C 2.274 179.860 177.584 0.003 0.000 1.181 162 A CA 1.695 53.734 52.037 0.004 0.000 0.627 162 A CB -0.638 18.364 19.000 0.003 0.000 0.818 162 A HN 0.187 nan 8.150 nan 0.000 0.445 163 V N -0.129 119.783 119.914 -0.003 0.000 2.295 163 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 163 V C 2.734 178.823 176.094 -0.009 0.000 1.049 163 V CA 2.380 64.676 62.300 -0.007 0.000 1.024 163 V CB -0.815 30.999 31.823 -0.016 0.000 0.648 163 V HN 0.777 nan 8.190 nan 0.000 0.447 164 Q N -0.275 119.516 119.800 -0.014 0.000 2.061 164 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 164 Q C 1.970 177.974 176.000 0.005 0.000 0.984 164 Q CA 2.286 58.080 55.803 -0.015 0.000 0.846 164 Q CB -0.159 28.567 28.738 -0.020 0.000 0.902 164 Q HN 0.638 nan 8.270 nan 0.000 0.421 165 D N 0.117 120.524 120.400 0.011 0.000 2.149 165 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 165 D C 1.638 177.964 176.300 0.042 0.000 0.990 165 D CA 1.194 55.208 54.000 0.024 0.000 0.839 165 D CB -0.087 40.724 40.800 0.019 0.000 0.948 165 D HN 0.211 nan 8.370 nan 0.000 0.460 166 K N -0.168 120.256 120.400 0.041 0.000 2.097 166 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 166 K C 1.961 178.621 176.600 0.100 0.000 1.050 166 K CA 0.497 56.821 56.287 0.062 0.000 0.938 166 K CB -0.071 32.452 32.500 0.039 0.000 0.718 166 K HN 0.029 nan 8.250 nan 0.000 0.442 167 L N 1.320 122.586 121.223 0.071 0.000 2.072 167 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 167 L C 2.067 179.031 176.870 0.155 0.000 1.079 167 L CA 1.734 56.635 54.840 0.101 0.000 0.752 167 L CB -0.460 41.602 42.059 0.005 0.000 0.906 167 L HN 0.031 nan 8.230 nan 0.000 0.436 168 K N -0.302 120.150 120.400 0.088 0.000 2.009 168 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 168 K C 2.052 178.708 176.600 0.094 0.000 1.049 168 K CA 1.688 58.020 56.287 0.074 0.000 0.929 168 K CB -0.383 32.141 32.500 0.040 0.000 0.714 168 K HN 0.463 nan 8.250 nan 0.000 0.440 169 A N 0.604 123.485 122.820 0.102 0.000 1.908 169 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 169 A C 2.056 179.718 177.584 0.129 0.000 1.181 169 A CA 1.661 53.756 52.037 0.097 0.000 0.627 169 A CB -0.910 18.147 19.000 0.095 0.000 0.818 169 A HN 0.543 nan 8.150 nan 0.000 0.445 170 F N 0.633 120.611 119.950 0.047 0.000 2.075 170 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 170 F C 2.292 178.134 175.800 0.071 0.000 1.113 170 F CA 2.109 60.150 58.000 0.068 0.000 1.218 170 F CB -0.348 38.715 39.000 0.104 0.000 0.984 170 F HN 0.031 nan 8.300 nan 0.000 0.472 171 V N 0.512 120.528 119.914 0.170 0.000 2.343 171 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 171 V C 2.135 178.211 176.094 -0.031 0.000 1.051 171 V CA 2.281 64.616 62.300 0.058 0.000 1.036 171 V CB -0.726 31.164 31.823 0.112 0.000 0.654 171 V HN 0.357 nan 8.190 nan 0.000 0.451 172 E N 0.536 120.733 120.200 -0.005 0.000 2.338 172 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 172 E C 2.273 178.845 176.600 -0.046 0.000 1.007 172 E CA 1.192 57.582 56.400 -0.017 0.000 0.849 172 E CB -0.149 29.554 29.700 0.005 0.000 0.774 172 E HN 0.761 nan 8.360 nan 0.000 0.506 173 S N -0.496 115.151 115.700 -0.089 0.000 2.453 173 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 173 S C 1.824 176.353 174.600 -0.119 0.000 1.005 173 S CA 0.851 58.987 58.200 -0.107 0.000 0.949 173 S CB 0.025 63.135 63.200 -0.149 0.000 0.774 173 S HN 0.373 nan 8.310 nan 0.000 0.510 174 G N 0.437 109.154 108.800 -0.139 0.000 2.199 174 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 174 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 174 G C -0.009 174.803 174.900 -0.145 0.000 0.982 174 G CA 0.265 45.298 45.100 -0.112 0.000 0.632 174 G HN 0.617 nan 8.290 nan 0.000 0.529 175 Q N 0.229 119.886 119.800 -0.238 0.000 2.509 175 Q HA 0.578 4.918 4.340 -0.000 0.000 0.230 175 Q C 1.415 177.146 176.000 -0.448 0.000 1.089 175 Q CA -0.507 55.145 55.803 -0.252 0.000 0.901 175 Q CB 0.691 29.305 28.738 -0.206 0.000 1.208 175 Q HN 0.449 nan 8.270 nan 0.000 0.529 176 L N 1.049 122.135 121.223 -0.230 0.000 2.552 176 L HA -0.020 4.320 4.340 -0.000 0.000 0.227 176 L C 1.405 178.394 176.870 0.198 0.000 1.146 176 L CA 0.579 55.386 54.840 -0.055 0.000 0.858 176 L CB -0.627 41.505 42.059 0.122 0.000 0.969 176 L HN 0.931 nan 8.230 nan 0.000 0.451 177 G N 2.369 111.216 108.800 0.078 0.000 2.665 177 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.326 177 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.326 177 G C 0.880 175.778 174.900 -0.003 0.000 1.231 177 G CA 0.798 45.959 45.100 0.102 0.000 0.992 177 G HN 0.494 nan 8.290 nan 0.000 0.549 178 I N -1.879 118.591 120.570 -0.166 0.000 3.176 178 I HA 0.283 4.453 4.170 -0.000 0.000 0.275 178 I C 2.049 177.992 176.117 -0.290 0.000 1.298 178 I CA 1.448 62.577 61.300 -0.285 0.000 1.445 178 I CB -0.315 37.458 38.000 -0.378 0.000 1.075 178 I HN 0.177 nan 8.210 nan 0.000 0.482 179 F N 1.346 121.366 119.950 0.117 0.000 2.776 179 F HA 0.212 4.738 4.527 -0.000 0.000 0.300 179 F C 1.315 177.089 175.800 -0.044 0.000 1.116 179 F CA -0.480 57.552 58.000 0.054 0.000 1.375 179 F CB -1.127 37.980 39.000 0.179 0.000 1.109 179 F HN -0.127 nan 8.300 nan 0.000 0.585 180 T N 2.696 117.311 114.554 0.102 0.000 2.891 180 T HA -0.108 4.242 4.350 -0.000 0.000 0.296 180 T C 0.664 175.350 174.700 -0.024 0.000 1.025 180 T CA 0.346 62.465 62.100 0.032 0.000 1.149 180 T CB -0.145 68.730 68.868 0.012 0.000 1.007 180 T HN 0.278 nan 8.240 nan 0.000 0.528 181 N N -0.626 118.053 118.700 -0.035 0.000 2.693 181 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 181 N C 0.229 175.663 175.510 -0.126 0.000 1.119 181 N CA 0.884 53.905 53.050 -0.047 0.000 0.717 181 N CB -1.613 36.867 38.487 -0.011 0.000 1.071 181 N HN 0.958 nan 8.380 nan 0.000 0.555 182 A N -0.419 122.242 122.820 -0.264 0.000 2.520 182 A HA 0.158 4.478 4.320 -0.000 0.000 0.235 182 A C 1.117 178.453 177.584 -0.413 0.000 1.065 182 A CA 0.081 51.787 52.037 -0.553 0.000 0.764 182 A CB 0.130 18.432 19.000 -1.163 0.000 1.002 182 A HN 0.226 nan 8.150 nan 0.000 0.502 183 Y N 1.259 121.342 120.300 -0.362 0.000 2.403 183 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 183 Y C 1.704 177.521 175.900 -0.138 0.000 1.143 183 Y CA 1.637 59.667 58.100 -0.117 0.000 1.257 183 Y CB -0.840 37.651 38.460 0.050 0.000 0.984 183 Y HN 0.802 nan 8.280 nan 0.000 0.550 184 F N -1.733 118.134 119.950 -0.139 0.000 2.776 184 F HA 0.258 4.785 4.527 -0.000 0.000 0.300 184 F C 0.352 176.035 175.800 -0.196 0.000 1.116 184 F CA -0.859 56.864 58.000 -0.461 0.000 1.375 184 F CB -1.214 37.184 39.000 -1.003 0.000 1.109 184 F HN -0.295 nan 8.300 nan 0.000 0.585 185 L N 2.212 123.345 121.223 -0.149 0.000 2.513 185 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 185 L C 1.437 178.321 176.870 0.023 0.000 1.187 185 L CA 0.801 55.631 54.840 -0.017 0.000 0.895 185 L CB 0.020 42.030 42.059 -0.081 0.000 1.147 185 L HN 0.642 nan 8.230 nan 0.000 0.483 186 G N 1.985 110.810 108.800 0.042 0.000 2.176 186 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.253 186 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.253 186 G C 0.563 175.488 174.900 0.041 0.000 0.979 186 G CA 0.013 45.132 45.100 0.031 0.000 0.641 186 G HN 1.485 nan 8.290 nan 0.000 0.530 187 G N -1.160 107.677 108.800 0.062 0.000 2.730 187 G HA2 0.382 4.342 3.960 -0.000 0.000 0.686 187 G HA3 0.382 4.342 3.960 -0.000 0.000 0.686 187 G C -0.819 174.166 174.900 0.142 0.000 1.343 187 G CA 0.430 45.579 45.100 0.082 0.000 0.826 187 G HN 2.133 nan 8.290 nan 0.000 0.582 188 H N 0.509 119.634 119.070 0.091 0.000 3.129 188 H HA 0.280 4.836 4.556 -0.000 0.000 0.342 188 H C 1.075 176.563 175.328 0.268 0.000 1.092 188 H CA -0.419 55.732 56.048 0.171 0.000 1.310 188 H CB 1.208 31.102 29.762 0.220 0.000 1.932 188 H HN 0.578 nan 8.280 nan 0.000 0.507 189 K N 2.384 122.976 120.400 0.319 0.000 2.211 189 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 189 K C 1.587 178.541 176.600 0.589 0.000 1.047 189 K CA 1.345 57.849 56.287 0.361 0.000 0.935 189 K CB 0.237 32.856 32.500 0.199 0.000 0.728 189 K HN 0.470 nan 8.250 nan 0.000 0.452 190 A N 0.220 123.520 122.820 0.801 0.000 2.208 190 A HA -0.020 4.300 4.320 -0.000 0.000 0.209 190 A C -0.086 177.610 177.584 0.187 0.000 1.161 190 A CA 0.341 52.680 52.037 0.504 0.000 0.782 190 A CB -0.094 19.080 19.000 0.289 0.000 0.816 190 A HN 0.140 nan 8.150 nan 0.000 0.477 191 Y N -0.571 119.893 120.300 0.274 0.000 2.367 191 Y HA 0.384 4.934 4.550 -0.000 0.000 0.342 191 Y C 0.478 176.569 175.900 0.319 0.000 0.979 191 Y CA -0.458 57.762 58.100 0.200 0.000 1.161 191 Y CB 0.687 39.232 38.460 0.142 0.000 1.155 191 Y HN 0.284 nan 8.280 nan 0.000 0.503 192 Y N 0.974 121.349 120.300 0.124 0.000 2.481 192 Y HA 0.205 4.755 4.550 -0.000 0.000 0.258 192 Y C 0.745 176.525 175.900 -0.200 0.000 1.103 192 Y CA -0.703 57.332 58.100 -0.109 0.000 1.287 192 Y CB -0.223 38.000 38.460 -0.395 0.000 1.108 192 Y HN 0.352 nan 8.280 nan 0.000 0.529 193 L N 3.335 124.522 121.223 -0.061 0.000 2.490 193 L HA 0.106 4.446 4.340 -0.000 0.000 0.274 193 L C -2.036 174.661 176.870 -0.289 0.000 1.201 193 L CA -1.563 53.055 54.840 -0.370 0.000 0.869 193 L CB 0.085 42.028 42.059 -0.193 0.000 1.123 193 L HN -0.126 nan 8.230 nan 0.000 0.484 194 P HA 0.099 nan 4.420 nan 0.000 0.269 194 P C -2.041 175.168 177.300 -0.152 0.000 1.209 194 P CA -1.173 61.806 63.100 -0.201 0.000 0.776 194 P CB 0.150 31.750 31.700 -0.166 0.000 0.876 195 P HA -0.216 nan 4.420 nan 0.000 0.217 195 P C 1.136 178.382 177.300 -0.090 0.000 1.151 195 P CA 1.551 64.597 63.100 -0.090 0.000 0.849 195 P CB 0.030 31.692 31.700 -0.062 0.000 0.787 196 E N -0.830 119.326 120.200 -0.072 0.000 2.118 196 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 196 E C 1.957 178.515 176.600 -0.069 0.000 0.992 196 E CA 1.002 57.368 56.400 -0.057 0.000 0.804 196 E CB -1.073 28.611 29.700 -0.027 0.000 0.741 196 E HN 0.060 nan 8.360 nan 0.000 0.458 197 V N 1.457 121.315 119.914 -0.093 0.000 2.453 197 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 197 V C 1.547 177.583 176.094 -0.097 0.000 1.048 197 V CA 1.714 63.960 62.300 -0.090 0.000 1.049 197 V CB -0.480 31.250 31.823 -0.155 0.000 0.672 197 V HN 0.227 nan 8.190 nan 0.000 0.457 198 D N 0.286 120.612 120.400 -0.123 0.000 2.104 198 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 198 D C 2.062 178.278 176.300 -0.140 0.000 0.994 198 D CA 1.370 55.286 54.000 -0.140 0.000 0.830 198 D CB -0.180 40.515 40.800 -0.175 0.000 0.959 198 D HN 0.346 nan 8.370 nan 0.000 0.452 199 L N 1.128 122.276 121.223 -0.125 0.000 2.017 199 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 199 L C 2.256 179.045 176.870 -0.135 0.000 1.073 199 L CA 1.284 56.054 54.840 -0.117 0.000 0.745 199 L CB -0.613 41.392 42.059 -0.090 0.000 0.894 199 L HN -0.015 nan 8.230 nan 0.000 0.432 200 I N -0.451 120.030 120.570 -0.148 0.000 2.099 200 I HA -0.345 3.825 4.170 -0.000 0.000 0.239 200 I C 2.628 178.535 176.117 -0.350 0.000 1.066 200 I CA 1.431 62.572 61.300 -0.265 0.000 1.324 200 I CB -0.781 37.113 38.000 -0.176 0.000 1.037 200 I HN 0.357 nan 8.210 nan 0.000 0.401 201 A N 0.321 123.069 122.820 -0.120 0.000 1.892 201 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 201 A C 2.388 180.028 177.584 0.093 0.000 1.188 201 A CA 2.725 54.801 52.037 0.064 0.000 0.631 201 A CB -1.270 17.779 19.000 0.081 0.000 0.822 201 A HN 0.440 nan 8.150 nan 0.000 0.447 202 T N 0.225 114.763 114.554 -0.028 0.000 2.746 202 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 202 T C 2.213 176.939 174.700 0.042 0.000 1.039 202 T CA 1.580 63.657 62.100 -0.037 0.000 1.142 202 T CB -0.485 68.288 68.868 -0.158 0.000 0.866 202 T HN 0.630 nan 8.240 nan 0.000 0.444 203 A N 1.306 124.105 122.820 -0.034 0.000 1.883 203 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 203 A C 1.937 179.599 177.584 0.129 0.000 1.186 203 A CA 1.774 53.812 52.037 0.003 0.000 0.624 203 A CB -0.967 17.991 19.000 -0.070 0.000 0.822 203 A HN 0.727 nan 8.150 nan 0.000 0.444 204 H N -3.624 115.502 119.070 0.095 0.000 2.462 204 H HA -0.098 4.458 4.556 -0.000 0.000 0.292 204 H C 1.960 177.187 175.328 -0.167 0.000 1.049 204 H CA 1.174 57.246 56.048 0.041 0.000 1.334 204 H CB -0.128 29.676 29.762 0.070 0.000 1.404 204 H HN 0.673 nan 8.280 nan 0.000 0.544 205 Y N 1.709 121.984 120.300 -0.041 0.000 2.165 205 Y HA -0.253 4.297 4.550 -0.000 0.000 0.286 205 Y C 2.028 177.982 175.900 0.091 0.000 1.155 205 Y CA 1.337 59.431 58.100 -0.011 0.000 1.164 205 Y CB -0.373 38.170 38.460 0.139 0.000 0.978 205 Y HN 0.076 nan 8.280 nan 0.000 0.513 206 L N -0.251 121.155 121.223 0.304 0.000 2.044 206 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 206 L C 2.419 179.289 176.870 -0.001 0.000 1.075 206 L CA 1.547 56.492 54.840 0.175 0.000 0.747 206 L CB -0.601 41.531 42.059 0.123 0.000 0.903 206 L HN 0.208 nan 8.230 nan 0.000 0.435 207 E N 0.419 120.586 120.200 -0.054 0.000 2.070 207 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 207 E C 2.258 178.645 176.600 -0.355 0.000 1.004 207 E CA 1.354 57.635 56.400 -0.198 0.000 0.805 207 E CB -0.224 29.442 29.700 -0.057 0.000 0.744 207 E HN 0.510 nan 8.360 nan 0.000 0.451 208 A N 1.133 123.734 122.820 -0.365 0.000 1.972 208 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 208 A C 2.184 179.718 177.584 -0.083 0.000 1.169 208 A CA 0.917 52.701 52.037 -0.422 0.000 0.635 208 A CB -0.582 18.180 19.000 -0.397 0.000 0.810 208 A HN 0.139 nan 8.150 nan 0.000 0.446 209 L N -1.336 119.894 121.223 0.012 0.000 2.079 209 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 209 L C 2.579 179.436 176.870 -0.023 0.000 1.081 209 L CA 1.630 56.422 54.840 -0.080 0.000 0.752 209 L CB -0.702 41.303 42.059 -0.089 0.000 0.896 209 L HN 0.553 nan 8.230 nan 0.000 0.433 210 H N -1.825 117.142 119.070 -0.172 0.000 2.403 210 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 210 H C 2.211 177.428 175.328 -0.185 0.000 1.059 210 H CA 1.148 57.103 56.048 -0.156 0.000 1.363 210 H CB 0.216 29.892 29.762 -0.143 0.000 1.410 210 H HN 0.222 nan 8.280 nan 0.000 0.528 211 M N 1.704 121.195 119.600 -0.182 0.000 2.132 211 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 211 M C 2.374 178.609 176.300 -0.109 0.000 1.065 211 M CA 1.563 56.707 55.300 -0.261 0.000 1.122 211 M CB -0.125 32.076 32.600 -0.665 0.000 1.365 211 M HN 0.225 nan 8.290 nan 0.000 0.411 212 Q N -1.177 118.579 119.800 -0.073 0.000 2.234 212 Q HA -0.093 4.246 4.340 -0.000 0.000 0.206 212 Q C 1.576 177.668 176.000 0.152 0.000 0.980 212 Q CA 2.093 57.921 55.803 0.042 0.000 0.869 212 Q CB -1.489 27.218 28.738 -0.051 0.000 0.912 212 Q HN 0.388 nan 8.270 nan 0.000 0.436 213 V N 0.936 120.868 119.914 0.031 0.000 2.295 213 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 213 V C 2.222 178.318 176.094 0.004 0.000 1.049 213 V CA 2.262 64.562 62.300 0.000 0.000 1.024 213 V CB -0.570 31.212 31.823 -0.069 0.000 0.648 213 V HN 0.383 nan 8.190 nan 0.000 0.447 214 K N 0.128 120.524 120.400 -0.006 0.000 2.097 214 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 214 K C 2.288 178.897 176.600 0.014 0.000 1.049 214 K CA 1.424 57.706 56.287 -0.008 0.000 0.933 214 K CB -0.421 32.063 32.500 -0.026 0.000 0.717 214 K HN 0.475 nan 8.250 nan 0.000 0.442 215 A N 1.235 124.092 122.820 0.061 0.000 1.933 215 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 215 A C 2.305 179.938 177.584 0.083 0.000 1.175 215 A CA 1.803 53.902 52.037 0.103 0.000 0.628 215 A CB -0.597 18.521 19.000 0.197 0.000 0.814 215 A HN 0.335 nan 8.150 nan 0.000 0.444 216 A N -0.894 121.957 122.820 0.053 0.000 1.968 216 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 216 A C 2.411 179.964 177.584 -0.052 0.000 1.169 216 A CA 1.803 53.780 52.037 -0.100 0.000 0.638 216 A CB -0.678 18.208 19.000 -0.190 0.000 0.812 216 A HN 0.420 nan 8.150 nan 0.000 0.446 217 S N -0.109 115.579 115.700 -0.019 0.000 2.348 217 S HA -0.050 4.420 4.470 -0.000 0.000 0.221 217 S C 2.381 176.996 174.600 0.024 0.000 1.033 217 S CA 1.197 59.391 58.200 -0.010 0.000 1.010 217 S CB -0.510 62.685 63.200 -0.009 0.000 0.891 217 S HN 0.800 nan 8.310 nan 0.000 0.442 218 A N 1.614 124.459 122.820 0.041 0.000 1.903 218 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 218 A C 2.162 179.905 177.584 0.266 0.000 1.191 218 A CA 2.169 54.282 52.037 0.128 0.000 0.638 218 A CB -0.766 18.189 19.000 -0.076 0.000 0.823 218 A HN 0.558 nan 8.150 nan 0.000 0.451 219 M N -0.561 119.109 119.600 0.116 0.000 2.159 219 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 219 M C 2.128 178.356 176.300 -0.119 0.000 1.063 219 M CA 1.758 57.068 55.300 0.017 0.000 1.110 219 M CB -0.189 32.383 32.600 -0.046 0.000 1.374 219 M HN 0.416 nan 8.290 nan 0.000 0.411 220 A N 0.232 123.003 122.820 -0.082 0.000 2.066 220 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 220 A C 1.901 179.412 177.584 -0.123 0.000 1.157 220 A CA 1.002 52.975 52.037 -0.107 0.000 0.670 220 A CB -0.912 18.049 19.000 -0.065 0.000 0.804 220 A HN 0.618 nan 8.150 nan 0.000 0.453 221 I N -0.466 120.052 120.570 -0.086 0.000 2.208 221 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 221 I C 2.201 178.171 176.117 -0.246 0.000 1.097 221 I CA 1.360 62.596 61.300 -0.107 0.000 1.363 221 I CB -0.208 37.785 38.000 -0.011 0.000 1.051 221 I HN 0.305 nan 8.210 nan 0.000 0.413 222 L N -0.601 120.377 121.223 -0.409 0.000 2.298 222 L HA 0.130 4.470 4.340 -0.000 0.000 0.209 222 L C 2.357 178.721 176.870 -0.843 0.000 1.084 222 L CA 0.842 55.319 54.840 -0.605 0.000 0.816 222 L CB -0.606 40.992 42.059 -0.768 0.000 0.967 222 L HN 0.232 nan 8.230 nan 0.000 0.460 223 G N -1.261 107.096 108.800 -0.738 0.000 2.985 223 G HA2 0.294 4.254 3.960 -0.000 0.000 0.209 223 G HA3 0.294 4.254 3.960 -0.000 0.000 0.209 223 G C 1.316 176.117 174.900 -0.166 0.000 1.165 223 G CA 0.626 45.302 45.100 -0.708 0.000 0.776 223 G HN 0.470 nan 8.290 nan 0.000 0.541 224 G N 0.262 108.979 108.800 -0.138 0.000 2.498 224 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.229 224 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.229 224 G C 0.403 175.294 174.900 -0.016 0.000 1.156 224 G CA 1.001 46.088 45.100 -0.023 0.000 0.680 224 G HN 1.295 nan 8.290 nan 0.000 0.512 225 K N -0.890 119.503 120.400 -0.012 0.000 2.658 225 K HA 0.594 4.914 4.320 -0.000 0.000 0.293 225 K C -1.898 174.693 176.600 -0.016 0.000 1.026 225 K CA -0.825 55.456 56.287 -0.010 0.000 0.871 225 K CB 1.302 33.811 32.500 0.016 0.000 1.524 225 K HN 0.413 nan 8.250 nan 0.000 0.400 226 N N 1.335 120.011 118.700 -0.041 0.000 2.455 226 N HA 0.397 5.137 4.740 -0.000 0.000 0.285 226 N C -2.867 172.586 175.510 -0.094 0.000 1.080 226 N CA -0.927 52.078 53.050 -0.075 0.000 0.932 226 N CB 1.964 40.374 38.487 -0.128 0.000 1.610 226 N HN 0.597 nan 8.380 nan 0.000 0.493 227 P HA 0.390 nan 4.420 nan 0.000 0.274 227 P C -1.128 176.133 177.300 -0.066 0.000 1.246 227 P CA 0.424 63.419 63.100 -0.176 0.000 0.795 227 P CB 0.246 31.742 31.700 -0.340 0.000 1.006 228 H N -1.961 117.151 119.070 0.070 0.000 3.286 228 H HA -0.090 4.466 4.556 -0.000 0.000 0.358 228 H C 0.044 175.447 175.328 0.124 0.000 1.143 228 H CA 0.280 56.389 56.048 0.102 0.000 1.147 228 H CB -2.253 27.552 29.762 0.071 0.000 1.568 228 H HN 0.606 nan 8.280 nan 0.000 0.401 229 T N -1.123 113.617 114.554 0.310 0.000 2.795 229 T HA 0.301 4.651 4.350 -0.000 0.000 0.314 229 T C 0.761 175.656 174.700 0.324 0.000 1.069 229 T CA -0.286 61.995 62.100 0.302 0.000 1.071 229 T CB 1.940 71.062 68.868 0.425 0.000 0.988 229 T HN 0.588 nan 8.240 nan 0.000 0.543 230 Q N 0.784 120.789 119.800 0.342 0.000 3.712 230 Q HA 0.353 4.693 4.340 -0.000 0.000 0.242 230 Q C -0.919 175.265 176.000 0.306 0.000 0.837 230 Q CA -0.483 55.482 55.803 0.270 0.000 0.826 230 Q CB 0.168 29.004 28.738 0.164 0.000 1.529 230 Q HN 0.840 nan 8.270 nan 0.000 0.405 231 F N -2.451 117.536 119.950 0.061 0.000 2.964 231 F HA 0.339 4.866 4.527 -0.000 0.000 0.371 231 F C 0.244 176.050 175.800 0.010 0.000 1.026 231 F CA -0.103 57.904 58.000 0.012 0.000 1.106 231 F CB 0.027 39.004 39.000 -0.038 0.000 1.135 231 F HN -0.025 nan 8.300 nan 0.000 0.557 232 T N 2.106 116.196 114.554 -0.775 0.000 2.856 232 T HA 0.655 5.005 4.350 -0.000 0.000 0.292 232 T C -0.166 174.375 174.700 -0.264 0.000 0.980 232 T CA 0.014 61.732 62.100 -0.636 0.000 1.091 232 T CB 1.736 70.234 68.868 -0.616 0.000 0.936 232 T HN 0.660 nan 8.240 nan 0.000 0.503 233 V N -0.236 119.555 119.914 -0.205 0.000 3.130 233 V HA 0.716 4.836 4.120 -0.000 0.000 0.310 233 V C -0.032 175.961 176.094 -0.168 0.000 1.158 233 V CA -1.453 60.784 62.300 -0.106 0.000 1.029 233 V CB 1.506 33.328 31.823 -0.001 0.000 1.057 233 V HN 0.785 nan 8.190 nan 0.000 0.436 234 V N 2.622 122.408 119.914 -0.213 0.000 2.557 234 V HA 0.455 4.575 4.120 -0.000 0.000 0.301 234 V C 1.705 177.565 176.094 -0.391 0.000 1.026 234 V CA 1.771 63.782 62.300 -0.481 0.000 1.137 234 V CB -0.181 31.020 31.823 -1.038 0.000 0.917 234 V HN 1.992 nan 8.190 nan 0.000 0.484 235 G N 2.752 111.352 108.800 -0.333 0.000 2.195 235 G HA2 0.110 4.070 3.960 -0.000 0.000 0.246 235 G HA3 0.110 4.070 3.960 -0.000 0.000 0.246 235 G C 0.690 175.553 174.900 -0.061 0.000 0.984 235 G CA 0.125 45.152 45.100 -0.122 0.000 0.633 235 G HN 1.975 nan 8.290 nan 0.000 0.525 236 G N -1.884 106.851 108.800 -0.108 0.000 2.374 236 G HA2 0.408 4.368 3.960 -0.000 0.000 0.067 236 G HA3 0.408 4.368 3.960 -0.000 0.000 0.067 236 G C -0.487 174.322 174.900 -0.151 0.000 1.023 236 G CA 0.549 45.588 45.100 -0.102 0.000 1.131 236 G HN 1.388 nan 8.290 nan 0.000 0.436 237 C N -0.044 119.173 119.300 -0.138 0.000 3.080 237 C HA 0.759 5.219 4.460 -0.000 0.000 0.307 237 C C 1.567 176.446 174.990 -0.186 0.000 1.311 237 C CA 0.328 59.250 59.018 -0.161 0.000 1.533 237 C CB 1.528 29.243 27.740 -0.042 0.000 1.970 237 C HN 1.208 nan 8.230 nan 0.000 0.467 238 S N -0.173 115.453 115.700 -0.123 0.000 2.502 238 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 238 S C 0.362 174.849 174.600 -0.188 0.000 1.009 238 S CA 0.377 58.501 58.200 -0.127 0.000 0.908 238 S CB -0.372 62.839 63.200 0.019 0.000 0.801 238 S HN 0.727 nan 8.310 nan 0.000 0.505 239 N N 1.275 119.906 118.700 -0.116 0.000 3.124 239 N HA 0.240 4.980 4.740 -0.000 0.000 0.284 239 N C -0.071 175.375 175.510 -0.106 0.000 1.209 239 N CA -0.576 52.448 53.050 -0.043 0.000 1.149 239 N CB -0.657 37.849 38.487 0.031 0.000 1.434 239 N HN 0.297 nan 8.380 nan 0.000 0.529 240 Y N 0.339 120.663 120.300 0.040 0.000 2.256 240 Y HA -0.185 4.365 4.550 -0.000 0.000 0.288 240 Y C 2.325 178.229 175.900 0.007 0.000 1.155 240 Y CA 1.219 59.333 58.100 0.024 0.000 1.203 240 Y CB -0.116 38.358 38.460 0.024 0.000 0.980 240 Y HN 0.526 nan 8.280 nan 0.000 0.530 241 Q N -0.075 119.806 119.800 0.134 0.000 2.226 241 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 241 Q C 2.272 178.278 176.000 0.010 0.000 0.975 241 Q CA 1.167 57.009 55.803 0.064 0.000 0.866 241 Q CB -0.458 28.307 28.738 0.044 0.000 0.915 241 Q HN 0.560 nan 8.270 nan 0.000 0.440 242 G N 0.125 108.907 108.800 -0.030 0.000 2.708 242 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.210 242 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.210 242 G C 1.014 175.866 174.900 -0.079 0.000 1.141 242 G CA 0.182 45.221 45.100 -0.101 0.000 0.788 242 G HN 0.297 nan 8.290 nan 0.000 0.531 243 L N 0.876 122.090 121.223 -0.015 0.000 2.640 243 L HA 0.199 4.539 4.340 -0.000 0.000 0.230 243 L C 1.509 178.392 176.870 0.021 0.000 1.123 243 L CA 0.087 54.931 54.840 0.007 0.000 0.900 243 L CB 0.171 42.258 42.059 0.047 0.000 1.146 243 L HN 0.183 nan 8.230 nan 0.000 0.484 244 T N -4.008 110.557 114.554 0.019 0.000 2.881 244 T HA 0.178 4.528 4.350 -0.000 0.000 0.278 244 T C 0.942 175.654 174.700 0.019 0.000 0.982 244 T CA -0.619 61.496 62.100 0.024 0.000 0.989 244 T CB 2.170 71.055 68.868 0.029 0.000 1.058 244 T HN -0.028 nan 8.240 nan 0.000 0.529 245 K N 0.214 120.627 120.400 0.021 0.000 1.973 245 K HA -0.163 4.157 4.320 -0.000 0.000 0.212 245 K C 1.677 178.292 176.600 0.024 0.000 1.047 245 K CA 1.934 58.234 56.287 0.022 0.000 0.937 245 K CB -0.410 32.102 32.500 0.020 0.000 0.721 245 K HN 0.623 nan 8.250 nan 0.000 0.440 246 D N 0.068 120.480 120.400 0.020 0.000 2.097 246 D HA -0.092 4.548 4.640 -0.000 0.000 0.195 246 D C -0.829 175.487 176.300 0.025 0.000 0.989 246 D CA 1.237 55.249 54.000 0.021 0.000 0.827 246 D CB -1.460 39.349 40.800 0.016 0.000 0.966 246 D HN 0.257 nan 8.370 nan 0.000 0.456 247 P HA -0.095 nan 4.420 nan 0.000 0.215 247 P C 1.754 179.081 177.300 0.045 0.000 1.157 247 P CA 0.861 63.971 63.100 0.017 0.000 0.874 247 P CB -0.037 31.656 31.700 -0.012 0.000 0.790 248 L N -1.582 119.665 121.223 0.040 0.000 2.217 248 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 248 L C 2.431 179.370 176.870 0.115 0.000 1.107 248 L CA 1.072 55.963 54.840 0.086 0.000 0.783 248 L CB -0.965 41.125 42.059 0.052 0.000 0.919 248 L HN -0.052 nan 8.230 nan 0.000 0.442 249 A N 0.296 123.158 122.820 0.069 0.000 1.877 249 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 249 A C 2.082 179.699 177.584 0.054 0.000 1.186 249 A CA 1.815 53.884 52.037 0.052 0.000 0.620 249 A CB -0.597 18.422 19.000 0.032 0.000 0.822 249 A HN 0.459 nan 8.150 nan 0.000 0.443 250 N N -1.848 116.890 118.700 0.062 0.000 2.142 250 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 250 N C 1.754 177.311 175.510 0.078 0.000 1.023 250 N CA 1.615 54.697 53.050 0.053 0.000 0.852 250 N CB -0.298 38.216 38.487 0.045 0.000 0.998 250 N HN 0.617 nan 8.380 nan 0.000 0.424 251 Y N 2.109 122.396 120.300 -0.021 0.000 2.128 251 Y HA -0.181 4.369 4.550 -0.000 0.000 0.284 251 Y C 2.317 178.208 175.900 -0.014 0.000 1.154 251 Y CA 1.163 59.248 58.100 -0.025 0.000 1.149 251 Y CB -0.527 37.913 38.460 -0.035 0.000 0.976 251 Y HN -0.020 nan 8.280 nan 0.000 0.505 252 L N 0.471 121.688 121.223 -0.010 0.000 2.093 252 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 252 L C 2.365 179.179 176.870 -0.093 0.000 1.085 252 L CA 1.993 56.779 54.840 -0.090 0.000 0.755 252 L CB -1.244 40.818 42.059 0.005 0.000 0.904 252 L HN 0.224 nan 8.230 nan 0.000 0.435 253 A N -0.279 122.512 122.820 -0.048 0.000 1.877 253 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 253 A C 2.250 179.799 177.584 -0.059 0.000 1.186 253 A CA 2.083 54.096 52.037 -0.041 0.000 0.620 253 A CB -0.909 18.081 19.000 -0.016 0.000 0.822 253 A HN 0.500 nan 8.150 nan 0.000 0.443 254 L N -0.526 120.652 121.223 -0.076 0.000 2.093 254 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 254 L C 2.831 179.631 176.870 -0.117 0.000 1.085 254 L CA 1.359 56.151 54.840 -0.081 0.000 0.755 254 L CB -0.381 41.638 42.059 -0.066 0.000 0.904 254 L HN 0.317 nan 8.230 nan 0.000 0.435 255 S N -0.242 115.330 115.700 -0.213 0.000 2.382 255 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 255 S C 1.925 176.456 174.600 -0.115 0.000 1.027 255 S CA 1.179 59.248 58.200 -0.217 0.000 0.991 255 S CB -0.106 62.866 63.200 -0.380 0.000 0.823 255 S HN 0.350 nan 8.310 nan 0.000 0.469 256 K N 0.926 121.266 120.400 -0.099 0.000 2.097 256 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 256 K C 2.224 178.807 176.600 -0.028 0.000 1.050 256 K CA 1.125 57.375 56.287 -0.060 0.000 0.938 256 K CB -0.099 32.368 32.500 -0.055 0.000 0.718 256 K HN 0.353 nan 8.250 nan 0.000 0.442 257 E N 0.529 120.714 120.200 -0.025 0.000 2.051 257 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 257 E C 1.887 178.510 176.600 0.038 0.000 0.991 257 E CA 1.139 57.539 56.400 0.001 0.000 0.799 257 E CB 0.158 29.851 29.700 -0.013 0.000 0.748 257 E HN 0.000 nan 8.360 nan 0.000 0.449 258 V N 0.160 120.090 119.914 0.026 0.000 2.295 258 V HA -0.344 3.775 4.120 -0.000 0.000 0.246 258 V C 2.401 178.570 176.094 0.125 0.000 1.049 258 V CA 1.734 64.082 62.300 0.079 0.000 1.024 258 V CB -0.449 31.403 31.823 0.048 0.000 0.648 258 V HN 0.542 nan 8.190 nan 0.000 0.447 259 c N -0.449 118.183 118.600 0.054 0.000 2.432 259 c HA -0.153 4.416 4.570 -0.000 0.000 0.280 259 c C 2.809 176.918 174.090 0.031 0.000 1.353 259 c CA 1.241 57.591 56.329 0.036 0.000 1.766 259 c CB -1.072 41.426 42.510 -0.021 0.000 1.924 259 c HN 0.706 nan 8.230 nan 0.000 0.509 260 Q N 0.004 119.829 119.800 0.041 0.000 2.046 260 Q HA -0.224 4.116 4.340 -0.000 0.000 0.200 260 Q C 2.054 178.091 176.000 0.061 0.000 0.975 260 Q CA 1.714 57.536 55.803 0.032 0.000 0.836 260 Q CB -0.402 28.357 28.738 0.034 0.000 0.896 260 Q HN 0.613 nan 8.270 nan 0.000 0.428 261 F N 0.385 120.319 119.950 -0.026 0.000 2.171 261 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 261 F C 1.836 177.651 175.800 0.025 0.000 1.090 261 F CA 1.161 59.145 58.000 -0.027 0.000 1.293 261 F CB -0.183 38.800 39.000 -0.027 0.000 1.013 261 F HN -0.058 nan 8.300 nan 0.000 0.486 262 V N 0.817 120.774 119.914 0.072 0.000 2.295 262 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 262 V C 2.177 178.207 176.094 -0.107 0.000 1.049 262 V CA 2.270 64.602 62.300 0.053 0.000 1.024 262 V CB -0.736 31.170 31.823 0.138 0.000 0.648 262 V HN 0.397 nan 8.190 nan 0.000 0.447 263 N N -0.293 118.345 118.700 -0.104 0.000 2.300 263 N HA -0.092 4.648 4.740 -0.000 0.000 0.179 263 N C 1.809 177.225 175.510 -0.157 0.000 1.016 263 N CA 1.061 54.030 53.050 -0.134 0.000 0.876 263 N CB -0.001 38.424 38.487 -0.102 0.000 0.979 263 N HN 0.610 nan 8.380 nan 0.000 0.432 264 E N -0.353 119.744 120.200 -0.171 0.000 2.170 264 E HA 0.033 4.383 4.350 -0.000 0.000 0.191 264 E C 1.327 177.755 176.600 -0.286 0.000 0.981 264 E CA 0.557 56.849 56.400 -0.179 0.000 0.830 264 E CB 0.340 29.966 29.700 -0.123 0.000 0.775 264 E HN 0.313 nan 8.360 nan 0.000 0.470 265 C N -0.847 118.155 119.300 -0.497 0.000 2.503 265 C HA 0.085 4.545 4.460 -0.000 0.000 0.344 265 C C 2.235 177.071 174.990 -0.258 0.000 1.610 265 C CA -0.461 58.163 59.018 -0.656 0.000 2.351 265 C CB -0.879 26.006 27.740 -1.425 0.000 2.044 265 C HN 0.429 nan 8.230 nan 0.000 0.680 266 Y N 2.906 122.933 120.300 -0.456 0.000 2.053 266 Y HA -0.159 4.391 4.550 -0.000 0.000 0.277 266 Y C 2.215 177.857 175.900 -0.430 0.000 1.159 266 Y CA 1.599 59.509 58.100 -0.317 0.000 1.125 266 Y CB -0.905 37.417 38.460 -0.231 0.000 0.969 266 Y HN 0.159 nan 8.280 nan 0.000 0.492 267 I N 0.752 121.052 120.570 -0.450 0.000 2.142 267 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 267 I C -0.286 175.634 176.117 -0.328 0.000 1.078 267 I CA 1.521 62.509 61.300 -0.519 0.000 1.343 267 I CB -2.818 34.940 38.000 -0.404 0.000 1.046 267 I HN 0.164 nan 8.210 nan 0.000 0.405 268 P HA -0.137 nan 4.420 nan 0.000 0.216 268 P C 1.168 178.438 177.300 -0.051 0.000 1.153 268 P CA 1.525 64.560 63.100 -0.108 0.000 0.858 268 P CB 0.001 31.665 31.700 -0.060 0.000 0.789 269 D N -1.067 119.334 120.400 0.002 0.000 2.117 269 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 269 D C 1.824 178.120 176.300 -0.006 0.000 0.987 269 D CA 0.839 54.909 54.000 0.117 0.000 0.829 269 D CB -0.887 40.130 40.800 0.361 0.000 0.961 269 D HN 0.013 nan 8.370 nan 0.000 0.460 270 L N 0.538 121.580 121.223 -0.301 0.000 2.046 270 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 270 L C 2.041 178.761 176.870 -0.250 0.000 1.077 270 L CA 1.433 56.009 54.840 -0.440 0.000 0.747 270 L CB -0.631 40.992 42.059 -0.727 0.000 0.896 270 L HN 0.045 nan 8.230 nan 0.000 0.432 271 L N -1.169 119.931 121.223 -0.205 0.000 2.095 271 L HA -0.068 4.271 4.340 -0.000 0.000 0.204 271 L C 2.628 179.464 176.870 -0.058 0.000 1.080 271 L CA 0.908 55.662 54.840 -0.143 0.000 0.759 271 L CB -0.898 41.076 42.059 -0.142 0.000 0.914 271 L HN 0.310 nan 8.230 nan 0.000 0.439 272 A N 0.077 122.901 122.820 0.006 0.000 1.877 272 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 272 A C 2.346 180.083 177.584 0.255 0.000 1.186 272 A CA 1.884 53.998 52.037 0.128 0.000 0.620 272 A CB -0.891 18.212 19.000 0.171 0.000 0.822 272 A HN 0.161 nan 8.150 nan 0.000 0.443 273 V N -0.024 119.992 119.914 0.171 0.000 2.255 273 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 273 V C 3.089 179.268 176.094 0.141 0.000 1.051 273 V CA 2.169 64.572 62.300 0.172 0.000 1.018 273 V CB -1.398 30.380 31.823 -0.076 0.000 0.641 273 V HN 0.635 nan 8.190 nan 0.000 0.445 274 A N 0.478 123.270 122.820 -0.048 0.000 1.940 274 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 274 A C 2.417 180.020 177.584 0.032 0.000 1.176 274 A CA 2.109 54.109 52.037 -0.062 0.000 0.631 274 A CB -1.306 17.616 19.000 -0.129 0.000 0.814 274 A HN 0.574 nan 8.150 nan 0.000 0.446 275 G N -1.493 107.302 108.800 -0.007 0.000 2.442 275 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 275 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 275 G C 1.318 176.131 174.900 -0.145 0.000 1.141 275 G CA 1.128 46.161 45.100 -0.112 0.000 0.763 275 G HN 0.459 nan 8.290 nan 0.000 0.554 276 F N -0.936 119.045 119.950 0.052 0.000 2.293 276 F HA 0.216 4.743 4.527 -0.000 0.000 0.297 276 F C 1.162 176.990 175.800 0.047 0.000 1.089 276 F CA 0.389 58.394 58.000 0.009 0.000 1.377 276 F CB 0.028 38.995 39.000 -0.056 0.000 1.051 276 F HN 0.078 nan 8.300 nan 0.000 0.511 277 Y N -0.023 120.493 120.300 0.360 0.000 2.833 277 Y HA 0.209 4.758 4.550 -0.000 0.000 0.339 277 Y C 1.369 177.490 175.900 0.369 0.000 1.032 277 Y CA -0.654 57.704 58.100 0.431 0.000 1.450 277 Y CB -0.533 38.070 38.460 0.238 0.000 1.296 277 Y HN -0.090 nan 8.280 nan 0.000 0.535 278 K N 0.402 121.004 120.400 0.337 0.000 2.152 278 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 278 K C 1.549 178.301 176.600 0.254 0.000 1.048 278 K CA 1.776 58.195 56.287 0.221 0.000 0.933 278 K CB -0.039 32.524 32.500 0.106 0.000 0.721 278 K HN 0.538 nan 8.250 nan 0.000 0.447 279 D N -0.126 120.465 120.400 0.319 0.000 2.221 279 D HA -0.210 4.430 4.640 -0.000 0.000 0.204 279 D C 1.180 177.577 176.300 0.161 0.000 0.982 279 D CA 0.923 55.056 54.000 0.222 0.000 0.857 279 D CB -0.706 40.234 40.800 0.233 0.000 0.934 279 D HN 0.286 nan 8.370 nan 0.000 0.475 280 W N 1.426 122.888 121.300 0.271 0.000 2.848 280 W HA 0.309 4.969 4.660 0.001 0.000 0.241 280 W C 2.364 178.986 176.519 0.172 0.000 1.289 280 W CA 0.739 58.236 57.345 0.252 0.000 1.396 280 W CB -0.149 29.530 29.460 0.366 0.000 1.138 280 W HN 0.133 nan 8.180 nan 0.000 0.677 281 G N -0.505 108.448 108.800 0.255 0.000 2.650 281 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.214 281 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.214 281 G C 1.502 176.471 174.900 0.115 0.000 1.136 281 G CA 0.758 45.956 45.100 0.163 0.000 0.789 281 G HN 0.329 nan 8.290 nan 0.000 0.536 282 G N -0.132 108.706 108.800 0.064 0.000 3.453 282 G HA2 0.477 4.437 3.960 -0.000 0.000 0.263 282 G HA3 0.477 4.437 3.960 -0.000 0.000 0.263 282 G C -0.033 174.850 174.900 -0.029 0.000 1.060 282 G CA -0.311 44.802 45.100 0.022 0.000 0.793 282 G HN 0.312 nan 8.290 nan 0.000 0.532 283 I N -0.408 120.138 120.570 -0.041 0.000 2.582 283 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 283 I C 0.922 177.076 176.117 0.062 0.000 1.066 283 I CA -0.578 60.649 61.300 -0.122 0.000 1.053 283 I CB 2.250 39.915 38.000 -0.557 0.000 1.241 283 I HN 0.136 nan 8.210 nan 0.000 0.421 284 G N 3.794 112.642 108.800 0.080 0.000 2.160 284 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.244 284 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.244 284 G C 0.342 175.354 174.900 0.187 0.000 1.022 284 G CA -0.038 45.168 45.100 0.176 0.000 0.741 284 G HN 1.055 nan 8.290 nan 0.000 0.508 285 G N -0.437 108.455 108.800 0.154 0.000 2.444 285 G HA2 0.756 4.716 3.960 -0.000 0.000 0.268 285 G HA3 0.756 4.716 3.960 -0.000 0.000 0.268 285 G C 0.428 175.411 174.900 0.138 0.000 1.203 285 G CA 0.929 46.137 45.100 0.180 0.000 0.835 285 G HN 1.388 nan 8.290 nan 0.000 0.543 286 T N -1.988 112.649 114.554 0.138 0.000 2.807 286 T HA 0.629 4.979 4.350 -0.000 0.000 0.277 286 T C 0.881 175.505 174.700 -0.126 0.000 1.006 286 T CA -0.130 61.975 62.100 0.008 0.000 1.006 286 T CB 1.794 70.671 68.868 0.014 0.000 1.274 286 T HN 0.242 nan 8.240 nan 0.000 0.569 287 S N 0.092 115.647 115.700 -0.242 0.000 2.575 287 S HA 0.315 4.785 4.470 -0.000 0.000 0.230 287 S C 0.067 174.445 174.600 -0.370 0.000 1.062 287 S CA -0.355 57.684 58.200 -0.268 0.000 0.913 287 S CB 0.034 63.137 63.200 -0.162 0.000 0.837 287 S HN 0.721 nan 8.310 nan 0.000 0.487 288 N N 1.035 119.446 118.700 -0.482 0.000 2.342 288 N HA 0.502 5.241 4.740 -0.000 0.000 0.293 288 N C -1.649 173.526 175.510 -0.557 0.000 1.026 288 N CA -0.238 52.595 53.050 -0.362 0.000 0.857 288 N CB 1.221 39.612 38.487 -0.159 0.000 1.256 288 N HN 0.151 nan 8.380 nan 0.000 0.484 289 Y N 0.523 120.788 120.300 -0.058 0.000 2.442 289 Y HA 0.559 5.109 4.550 -0.000 0.000 0.344 289 Y C -0.390 175.397 175.900 -0.188 0.000 0.976 289 Y CA -1.071 56.985 58.100 -0.075 0.000 1.040 289 Y CB 2.028 40.493 38.460 0.009 0.000 1.228 289 Y HN 0.357 nan 8.280 nan 0.000 0.451 290 L N 2.706 123.840 121.223 -0.149 0.000 2.386 290 L HA 1.019 5.359 4.340 -0.000 0.000 0.271 290 L C -1.262 175.402 176.870 -0.343 0.000 0.993 290 L CA -0.506 54.115 54.840 -0.365 0.000 0.819 290 L CB 1.775 43.397 42.059 -0.728 0.000 1.294 290 L HN 0.708 nan 8.230 nan 0.000 0.414 291 A N 3.319 125.980 122.820 -0.266 0.000 2.486 291 A HA 0.659 4.979 4.320 -0.000 0.000 0.300 291 A C -0.642 176.915 177.584 -0.045 0.000 1.048 291 A CA -0.430 51.482 52.037 -0.208 0.000 0.696 291 A CB 0.803 19.769 19.000 -0.057 0.000 1.278 291 A HN 0.647 nan 8.150 nan 0.000 0.405 292 F N 1.473 121.418 119.950 -0.009 0.000 2.754 292 F HA 0.416 4.943 4.527 0.000 0.000 0.297 292 F C 1.656 177.531 175.800 0.124 0.000 1.122 292 F CA 0.279 58.311 58.000 0.053 0.000 1.400 292 F CB -0.508 38.515 39.000 0.038 0.000 1.117 292 F HN 1.205 nan 8.300 nan 0.000 0.587 293 G N 0.857 109.806 108.800 0.249 0.000 2.712 293 G HA2 0.054 4.014 3.960 -0.000 0.000 0.686 293 G HA3 0.054 4.014 3.960 -0.000 0.000 0.686 293 G C -1.008 173.946 174.900 0.090 0.000 1.321 293 G CA -0.645 44.536 45.100 0.134 0.000 0.813 293 G HN 0.239 nan 8.290 nan 0.000 0.599 294 E N -1.040 119.115 120.200 -0.075 0.000 2.430 294 E HA 0.723 5.073 4.350 -0.000 0.000 0.279 294 E C -0.046 176.244 176.600 -0.518 0.000 1.003 294 E CA -0.668 55.480 56.400 -0.420 0.000 0.801 294 E CB 0.579 29.850 29.700 -0.715 0.000 1.313 294 E HN 1.561 nan 8.360 nan 0.000 0.459 295 F N -0.809 118.969 119.950 -0.286 0.000 2.985 295 F HA -0.107 4.420 4.527 -0.000 0.000 0.303 295 F C 0.139 175.790 175.800 -0.248 0.000 0.976 295 F CA 0.528 58.284 58.000 -0.406 0.000 1.013 295 F CB -2.083 36.567 39.000 -0.584 0.000 1.060 295 F HN 0.430 nan 8.300 nan 0.000 0.780 296 A N 0.272 122.997 122.820 -0.158 0.000 2.371 296 A HA 0.592 4.912 4.320 -0.000 0.000 0.257 296 A C 1.378 178.924 177.584 -0.062 0.000 1.089 296 A CA 0.213 52.171 52.037 -0.132 0.000 0.794 296 A CB 0.450 19.322 19.000 -0.212 0.000 1.029 296 A HN 0.739 nan 8.150 nan 0.000 0.488 297 T N -1.702 112.839 114.554 -0.021 0.000 3.081 297 T HA 0.104 4.454 4.350 -0.000 0.000 0.255 297 T C 0.070 174.768 174.700 -0.004 0.000 1.113 297 T CA 0.960 63.060 62.100 -0.001 0.000 1.082 297 T CB -0.008 68.879 68.868 0.033 0.000 0.939 297 T HN 0.567 nan 8.240 nan 0.000 0.506 298 D N 0.832 121.225 120.400 -0.011 0.000 2.402 298 D HA 0.238 4.878 4.640 -0.000 0.000 0.252 298 D C -1.129 175.172 176.300 0.002 0.000 1.294 298 D CA -0.426 53.572 54.000 -0.003 0.000 0.948 298 D CB 1.181 41.983 40.800 0.004 0.000 1.202 298 D HN -0.059 nan 8.370 nan 0.000 0.561 299 D N 1.691 122.094 120.400 0.004 0.000 2.615 299 D HA -0.007 4.633 4.640 -0.000 0.000 0.236 299 D C 1.531 177.826 176.300 -0.009 0.000 1.233 299 D CA 0.114 54.125 54.000 0.018 0.000 0.829 299 D CB 0.596 41.403 40.800 0.012 0.000 1.024 299 D HN 0.377 nan 8.370 nan 0.000 0.490 300 S N -0.607 115.090 115.700 -0.005 0.000 2.481 300 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 300 S C 0.904 175.492 174.600 -0.020 0.000 0.996 300 S CA 0.215 58.408 58.200 -0.012 0.000 0.942 300 S CB 0.115 63.314 63.200 -0.002 0.000 0.768 300 S HN 0.177 nan 8.310 nan 0.000 0.520 301 S N -1.035 114.654 115.700 -0.018 0.000 2.611 301 S HA 0.546 5.016 4.470 -0.000 0.000 0.268 301 S C -3.007 171.574 174.600 -0.032 0.000 1.156 301 S CA -1.113 57.068 58.200 -0.032 0.000 0.817 301 S CB 1.043 64.234 63.200 -0.016 0.000 1.122 301 S HN -0.030 nan 8.310 nan 0.000 0.466 302 P HA -0.028 nan 4.420 nan 0.000 0.217 302 P C 0.888 178.176 177.300 -0.019 0.000 1.150 302 P CA 1.415 64.454 63.100 -0.102 0.000 0.832 302 P CB -0.065 31.531 31.700 -0.173 0.000 0.787 303 E N -0.162 120.034 120.200 -0.006 0.000 2.085 303 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 303 E C 1.908 178.525 176.600 0.029 0.000 0.994 303 E CA 1.147 57.558 56.400 0.018 0.000 0.801 303 E CB -0.584 29.127 29.700 0.019 0.000 0.743 303 E HN 0.152 nan 8.360 nan 0.000 0.453 304 K N -0.213 120.204 120.400 0.027 0.000 2.167 304 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 304 K C 2.111 178.729 176.600 0.030 0.000 1.052 304 K CA 1.194 57.496 56.287 0.025 0.000 0.956 304 K CB -0.369 32.141 32.500 0.016 0.000 0.735 304 K HN 0.321 nan 8.250 nan 0.000 0.451 305 H N 1.120 120.161 119.070 -0.048 0.000 2.293 305 H HA 0.011 4.566 4.556 -0.000 0.000 0.300 305 H C 2.019 177.332 175.328 -0.025 0.000 1.082 305 H CA 1.696 57.711 56.048 -0.055 0.000 1.308 305 H CB -0.151 29.552 29.762 -0.098 0.000 1.375 305 H HN -0.019 nan 8.280 nan 0.000 0.495 306 L N -0.229 121.057 121.223 0.106 0.000 2.081 306 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 306 L C 2.702 179.578 176.870 0.010 0.000 1.080 306 L CA 1.229 56.113 54.840 0.073 0.000 0.754 306 L CB -0.483 41.627 42.059 0.086 0.000 0.893 306 L HN 0.496 nan 8.230 nan 0.000 0.433 307 A N -0.952 121.870 122.820 0.003 0.000 2.030 307 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 307 A C 2.177 179.757 177.584 -0.006 0.000 1.164 307 A CA 1.346 53.388 52.037 0.008 0.000 0.697 307 A CB -0.379 18.632 19.000 0.019 0.000 0.827 307 A HN 0.449 nan 8.150 nan 0.000 0.457 308 T N -3.313 111.219 114.554 -0.037 0.000 3.054 308 T HA 0.216 4.566 4.350 -0.000 0.000 0.255 308 T C 0.496 175.168 174.700 -0.048 0.000 1.035 308 T CA 0.332 62.416 62.100 -0.026 0.000 0.941 308 T CB -0.259 68.600 68.868 -0.015 0.000 1.026 308 T HN 0.056 nan 8.240 nan 0.000 0.533 309 S N 2.635 118.260 115.700 -0.126 0.000 2.546 309 S HA 0.060 4.530 4.470 -0.000 0.000 0.290 309 S C 1.282 175.935 174.600 0.088 0.000 1.262 309 S CA -0.268 57.858 58.200 -0.122 0.000 1.083 309 S CB 0.721 63.789 63.200 -0.220 0.000 0.859 309 S HN 0.525 nan 8.310 nan 0.000 0.495 310 Q N 1.573 121.494 119.800 0.202 0.000 2.167 310 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 310 Q C -0.358 176.013 176.000 0.618 0.000 0.970 310 Q CA 0.893 56.918 55.803 0.369 0.000 0.855 310 Q CB 0.031 29.032 28.738 0.439 0.000 0.911 310 Q HN 0.594 nan 8.270 nan 0.000 0.438 311 F N 2.438 122.575 119.950 0.311 0.000 2.377 311 F HA 0.263 4.790 4.527 0.000 0.000 0.360 311 F C -1.890 173.963 175.800 0.088 0.000 1.147 311 F CA -3.758 54.408 58.000 0.277 0.000 1.170 311 F CB 0.189 39.438 39.000 0.415 0.000 1.339 311 F HN -0.048 nan 8.300 nan 0.000 0.552 312 P HA 0.076 nan 4.420 nan 0.000 0.272 312 P C -0.122 177.210 177.300 0.053 0.000 1.230 312 P CA -0.126 63.019 63.100 0.075 0.000 0.788 312 P CB 1.077 32.794 31.700 0.028 0.000 0.949 313 S N 0.298 116.030 115.700 0.054 0.000 2.652 313 S HA 0.793 5.263 4.470 -0.000 0.000 0.270 313 S C 0.393 175.019 174.600 0.043 0.000 1.243 313 S CA 0.090 58.335 58.200 0.075 0.000 0.999 313 S CB 0.616 63.891 63.200 0.124 0.000 0.973 313 S HN 0.916 nan 8.310 nan 0.000 0.544 314 G N -0.922 107.897 108.800 0.032 0.000 2.320 314 G HA2 0.440 4.400 3.960 -0.000 0.000 0.297 314 G HA3 0.440 4.400 3.960 -0.000 0.000 0.297 314 G C -1.975 172.903 174.900 -0.036 0.000 1.344 314 G CA -0.372 44.737 45.100 0.014 0.000 0.851 314 G HN 1.284 nan 8.290 nan 0.000 0.567 315 V N 0.623 120.520 119.914 -0.027 0.000 2.569 315 V HA 0.578 4.698 4.120 -0.000 0.000 0.301 315 V C -0.252 175.845 176.094 0.005 0.000 1.044 315 V CA -0.499 61.756 62.300 -0.075 0.000 0.874 315 V CB 1.507 33.243 31.823 -0.146 0.000 1.002 315 V HN 0.684 nan 8.190 nan 0.000 0.424 316 I N 3.617 124.210 120.570 0.038 0.000 2.404 316 I HA 0.584 4.754 4.170 -0.000 0.000 0.293 316 I C -0.010 176.145 176.117 0.063 0.000 0.992 316 I CA -0.076 61.275 61.300 0.085 0.000 1.149 316 I CB 2.239 40.337 38.000 0.163 0.000 1.315 316 I HN 0.559 nan 8.210 nan 0.000 0.446 317 T N 3.377 117.955 114.554 0.040 0.000 2.841 317 T HA 0.462 4.812 4.350 -0.000 0.000 0.283 317 T C 0.558 175.251 174.700 -0.012 0.000 1.000 317 T CA -0.256 61.852 62.100 0.012 0.000 0.977 317 T CB 1.696 70.588 68.868 0.039 0.000 0.979 317 T HN 0.994 nan 8.240 nan 0.000 0.446 318 G N 2.775 111.545 108.800 -0.049 0.000 2.305 318 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.287 318 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.287 318 G C 0.564 175.401 174.900 -0.105 0.000 1.036 318 G CA 0.545 45.600 45.100 -0.074 0.000 0.887 318 G HN 0.914 nan 8.290 nan 0.000 0.505 319 R N -1.828 118.596 120.500 -0.126 0.000 3.932 319 R HA -0.229 4.111 4.340 -0.000 0.000 0.318 319 R C 0.256 176.493 176.300 -0.105 0.000 1.219 319 R CA 1.288 57.261 56.100 -0.211 0.000 0.889 319 R CB -1.330 28.637 30.300 -0.555 0.000 1.309 319 R HN 0.513 nan 8.270 nan 0.000 0.537 320 D N 0.965 121.340 120.400 -0.043 0.000 2.435 320 D HA 0.106 4.746 4.640 -0.000 0.000 0.230 320 D C 1.145 177.449 176.300 0.008 0.000 1.215 320 D CA -0.043 53.950 54.000 -0.013 0.000 0.947 320 D CB 0.401 41.200 40.800 -0.002 0.000 1.048 320 D HN 0.224 nan 8.370 nan 0.000 0.512 321 L N 2.239 123.472 121.223 0.017 0.000 2.551 321 L HA 0.087 4.427 4.340 -0.000 0.000 0.228 321 L C 2.114 179.009 176.870 0.041 0.000 1.153 321 L CA 0.501 55.367 54.840 0.044 0.000 0.851 321 L CB 0.022 42.140 42.059 0.099 0.000 0.959 321 L HN 0.408 nan 8.230 nan 0.000 0.451 322 G N -0.035 108.783 108.800 0.030 0.000 2.920 322 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.208 322 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.208 322 G C 0.758 175.671 174.900 0.021 0.000 1.159 322 G CA -0.015 45.098 45.100 0.022 0.000 0.784 322 G HN 0.196 nan 8.290 nan 0.000 0.535 323 K N 0.745 121.159 120.400 0.025 0.000 2.814 323 K HA 0.391 4.711 4.320 -0.000 0.000 0.205 323 K C -1.239 175.382 176.600 0.035 0.000 1.093 323 K CA -0.397 55.907 56.287 0.028 0.000 1.035 323 K CB 1.385 33.902 32.500 0.029 0.000 1.220 323 K HN -0.100 nan 8.250 nan 0.000 0.576 324 V N 3.632 123.565 119.914 0.032 0.000 2.368 324 V HA 0.191 4.311 4.120 -0.000 0.000 0.266 324 V C 0.090 176.209 176.094 0.042 0.000 1.045 324 V CA -0.561 61.759 62.300 0.034 0.000 0.899 324 V CB 0.904 32.741 31.823 0.024 0.000 1.006 324 V HN 0.614 nan 8.190 nan 0.000 0.470 325 D N 3.212 123.644 120.400 0.055 0.000 2.283 325 D HA 0.239 4.879 4.640 -0.000 0.000 0.248 325 D C 0.065 176.413 176.300 0.080 0.000 1.072 325 D CA -0.389 53.657 54.000 0.076 0.000 0.929 325 D CB 0.873 41.740 40.800 0.112 0.000 1.182 325 D HN 0.406 nan 8.370 nan 0.000 0.433 326 N N -0.184 118.572 118.700 0.093 0.000 2.453 326 N HA 0.049 4.789 4.740 -0.000 0.000 0.253 326 N C -0.317 175.286 175.510 0.155 0.000 1.252 326 N CA -0.165 52.947 53.050 0.105 0.000 0.917 326 N CB 0.724 39.269 38.487 0.096 0.000 1.117 326 N HN 0.096 nan 8.380 nan 0.000 0.442 327 V N 1.411 121.421 119.914 0.161 0.000 2.508 327 V HA -0.013 4.107 4.120 -0.000 0.000 0.281 327 V C 0.461 176.725 176.094 0.283 0.000 1.041 327 V CA -0.192 62.251 62.300 0.238 0.000 1.016 327 V CB 0.828 32.796 31.823 0.241 0.000 0.984 327 V HN 0.541 nan 8.190 nan 0.000 0.478 328 D N 4.502 125.156 120.400 0.423 0.000 2.443 328 D HA 0.272 4.912 4.640 -0.000 0.000 0.221 328 D C 0.862 177.382 176.300 0.367 0.000 1.097 328 D CA -0.265 53.918 54.000 0.306 0.000 0.865 328 D CB 1.195 42.116 40.800 0.201 0.000 1.034 328 D HN 0.421 nan 8.370 nan 0.000 0.511 329 L N 2.663 124.079 121.223 0.322 0.000 2.275 329 L HA 0.020 4.360 4.340 -0.000 0.000 0.215 329 L C 2.285 179.454 176.870 0.500 0.000 1.119 329 L CA 0.996 56.095 54.840 0.432 0.000 0.790 329 L CB -0.042 42.241 42.059 0.374 0.000 0.919 329 L HN 0.464 nan 8.230 nan 0.000 0.443 330 G N -0.525 108.459 108.800 0.307 0.000 2.598 330 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.215 330 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.215 330 G C 1.436 176.458 174.900 0.203 0.000 1.131 330 G CA 0.656 45.858 45.100 0.171 0.000 0.785 330 G HN 0.449 nan 8.290 nan 0.000 0.539 331 A N -0.217 122.707 122.820 0.173 0.000 2.348 331 A HA 0.527 4.847 4.320 -0.000 0.000 0.224 331 A C 0.735 178.389 177.584 0.116 0.000 1.227 331 A CA -0.401 51.650 52.037 0.023 0.000 0.885 331 A CB 0.069 18.865 19.000 -0.340 0.000 0.933 331 A HN 0.276 nan 8.150 nan 0.000 0.506 332 I N 1.053 121.798 120.570 0.292 0.000 2.474 332 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 332 I C -0.076 176.115 176.117 0.123 0.000 1.048 332 I CA -0.307 61.158 61.300 0.274 0.000 1.383 332 I CB 0.515 38.732 38.000 0.361 0.000 1.412 332 I HN 0.491 nan 8.210 nan 0.000 0.531 333 Y N 2.795 123.074 120.300 -0.035 0.000 2.705 333 Y HA 0.687 5.237 4.550 -0.000 0.000 0.332 333 Y C -1.332 174.451 175.900 -0.196 0.000 1.221 333 Y CA -1.377 56.637 58.100 -0.143 0.000 1.059 333 Y CB 1.093 39.515 38.460 -0.063 0.000 1.298 333 Y HN 0.415 nan 8.280 nan 0.000 0.459 334 E N 1.462 121.660 120.200 -0.004 0.000 2.210 334 E HA 0.303 4.653 4.350 -0.000 0.000 0.266 334 E C -1.547 175.078 176.600 0.042 0.000 0.883 334 E CA -1.023 55.308 56.400 -0.115 0.000 0.761 334 E CB 1.890 31.474 29.700 -0.195 0.000 1.156 334 E HN 0.519 nan 8.360 nan 0.000 0.412 335 D N 1.213 121.627 120.400 0.023 0.000 2.294 335 D HA 0.197 4.837 4.640 -0.000 0.000 0.250 335 D C 0.647 176.943 176.300 -0.006 0.000 1.058 335 D CA -0.294 53.738 54.000 0.055 0.000 0.950 335 D CB 2.053 42.916 40.800 0.106 0.000 1.158 335 D HN 0.281 nan 8.370 nan 0.000 0.453 336 V N -1.582 118.338 119.914 0.011 0.000 3.337 336 V HA 0.178 4.298 4.120 -0.000 0.000 0.307 336 V C 1.641 177.746 176.094 0.018 0.000 1.505 336 V CA -0.295 62.028 62.300 0.039 0.000 1.072 336 V CB 0.097 31.965 31.823 0.075 0.000 0.929 336 V HN 0.412 nan 8.190 nan 0.000 0.455 337 K N 0.865 121.239 120.400 -0.043 0.000 2.089 337 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 337 K C 1.243 177.526 176.600 -0.528 0.000 1.048 337 K CA 2.544 58.692 56.287 -0.232 0.000 0.926 337 K CB -0.253 32.090 32.500 -0.262 0.000 0.714 337 K HN 0.657 nan 8.250 nan 0.000 0.448 338 Y N 0.114 120.265 120.300 -0.248 0.000 2.607 338 Y HA 0.274 4.824 4.550 -0.000 0.000 0.266 338 Y C -0.022 175.522 175.900 -0.595 0.000 1.178 338 Y CA -0.676 57.164 58.100 -0.434 0.000 1.226 338 Y CB 0.893 39.148 38.460 -0.342 0.000 1.144 338 Y HN -0.104 nan 8.280 nan 0.000 0.528 339 S N -1.186 114.373 115.700 -0.235 0.000 2.664 339 S HA 0.234 4.704 4.470 -0.000 0.000 0.304 339 S C -0.627 173.818 174.600 -0.258 0.000 1.099 339 S CA -0.795 57.236 58.200 -0.282 0.000 1.003 339 S CB 0.933 64.209 63.200 0.126 0.000 1.092 339 S HN 0.263 nan 8.310 nan 0.000 0.525 340 W N 2.610 123.630 121.300 -0.467 0.000 1.564 340 W HA 0.353 5.013 4.660 0.000 0.000 0.448 340 W C -1.044 174.891 176.519 -0.974 0.000 0.601 340 W CA -0.603 56.224 57.345 -0.863 0.000 2.326 340 W CB -1.382 27.098 29.460 -1.633 0.000 1.355 340 W HN 0.542 nan 8.180 nan 0.000 0.382 341 Y N 0.067 120.371 120.300 0.006 0.000 2.602 341 Y HA 0.570 5.119 4.550 -0.000 0.000 0.342 341 Y C 0.468 176.356 175.900 -0.020 0.000 1.029 341 Y CA -1.929 56.183 58.100 0.021 0.000 1.080 341 Y CB 0.451 38.937 38.460 0.044 0.000 1.284 341 Y HN -0.001 nan 8.280 nan 0.000 0.485 342 A N 2.950 125.857 122.820 0.145 0.000 2.545 342 A HA 0.300 4.620 4.320 -0.000 0.000 0.253 342 A C -2.451 175.170 177.584 0.063 0.000 1.074 342 A CA -1.007 51.064 52.037 0.057 0.000 0.760 342 A CB -0.904 18.128 19.000 0.053 0.000 1.005 342 A HN 0.423 nan 8.150 nan 0.000 0.506 343 P HA 0.225 nan 4.420 nan 0.000 0.267 343 P C 1.093 178.405 177.300 0.021 0.000 1.195 343 P CA 1.757 64.880 63.100 0.039 0.000 0.773 343 P CB 0.461 32.179 31.700 0.030 0.000 0.837 344 G N 1.116 109.922 108.800 0.011 0.000 2.157 344 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.239 344 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.239 344 G C 0.840 175.741 174.900 0.001 0.000 0.982 344 G CA -0.013 45.087 45.100 0.000 0.000 0.650 344 G HN 0.863 nan 8.290 nan 0.000 0.527 345 G N -0.314 108.492 108.800 0.009 0.000 3.434 345 G HA2 0.411 4.371 3.960 -0.000 0.000 0.258 345 G HA3 0.411 4.371 3.960 -0.000 0.000 0.258 345 G C 0.099 174.992 174.900 -0.011 0.000 1.128 345 G CA 0.341 45.441 45.100 0.000 0.000 0.792 345 G HN 0.409 nan 8.290 nan 0.000 0.539 346 D N 0.367 120.761 120.400 -0.010 0.000 2.382 346 D HA 0.378 5.018 4.640 -0.000 0.000 0.240 346 D C 1.385 177.667 176.300 -0.031 0.000 1.146 346 D CA 1.109 55.107 54.000 -0.003 0.000 0.897 346 D CB 1.204 41.999 40.800 -0.008 0.000 1.197 346 D HN 0.230 nan 8.370 nan 0.000 0.432 347 G N 1.238 110.038 108.800 -0.000 0.000 2.221 347 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.265 347 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.265 347 G C -0.020 174.815 174.900 -0.108 0.000 1.041 347 G CA 0.043 45.019 45.100 -0.206 0.000 0.807 347 G HN 0.345 nan 8.290 nan 0.000 0.502 348 K N 0.761 121.168 120.400 0.013 0.000 2.248 348 K HA 0.215 4.535 4.320 -0.000 0.000 0.281 348 K C 0.478 177.086 176.600 0.015 0.000 1.054 348 K CA -0.727 55.559 56.287 -0.001 0.000 0.903 348 K CB 0.878 33.358 32.500 -0.033 0.000 1.077 348 K HN 0.497 nan 8.250 nan 0.000 0.474 349 H N 4.523 123.550 119.070 -0.071 0.000 2.897 349 H HA 0.003 4.559 4.556 -0.000 0.000 0.347 349 H C -1.637 173.494 175.328 -0.329 0.000 1.068 349 H CA -1.035 54.909 56.048 -0.175 0.000 1.426 349 H CB 1.184 30.869 29.762 -0.127 0.000 1.410 349 H HN 0.228 nan 8.280 nan 0.000 0.597 350 P HA -0.181 nan 4.420 nan 0.000 0.218 350 P C 0.807 177.804 177.300 -0.504 0.000 1.146 350 P CA 1.255 63.757 63.100 -0.996 0.000 0.813 350 P CB -0.089 30.271 31.700 -2.232 0.000 0.778 351 Y N -0.065 120.104 120.300 -0.219 0.000 2.421 351 Y HA -0.108 4.442 4.550 -0.000 0.000 0.292 351 Y C 1.349 177.260 175.900 0.020 0.000 1.136 351 Y CA 0.877 59.007 58.100 0.050 0.000 1.255 351 Y CB -0.789 37.781 38.460 0.183 0.000 0.991 351 Y HN 0.067 nan 8.280 nan 0.000 0.552 352 D N -1.017 119.468 120.400 0.142 0.000 2.462 352 D HA 0.149 4.789 4.640 -0.000 0.000 0.221 352 D C 0.980 177.288 176.300 0.013 0.000 1.173 352 D CA 0.121 54.165 54.000 0.073 0.000 0.831 352 D CB -0.064 40.774 40.800 0.062 0.000 1.001 352 D HN 0.139 nan 8.370 nan 0.000 0.499 353 G N 0.604 109.388 108.800 -0.027 0.000 2.414 353 G HA2 0.291 4.251 3.960 -0.000 0.000 0.236 353 G HA3 0.291 4.251 3.960 -0.000 0.000 0.236 353 G C 0.063 174.957 174.900 -0.011 0.000 1.293 353 G CA 0.050 45.117 45.100 -0.056 0.000 0.869 353 G HN 0.026 nan 8.290 nan 0.000 0.556 354 V N 1.487 121.385 119.914 -0.027 0.000 2.588 354 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 354 V C 0.006 176.086 176.094 -0.023 0.000 1.042 354 V CA -0.645 61.654 62.300 -0.001 0.000 0.877 354 V CB 2.278 34.103 31.823 0.004 0.000 0.996 354 V HN 0.785 nan 8.190 nan 0.000 0.425 355 T N 2.851 117.434 114.554 0.048 0.000 3.060 355 T HA 0.286 4.636 4.350 -0.000 0.000 0.367 355 T C -0.741 174.094 174.700 0.225 0.000 1.229 355 T CA -0.215 61.949 62.100 0.106 0.000 1.104 355 T CB 0.218 69.200 68.868 0.190 0.000 1.083 355 T HN 0.666 nan 8.240 nan 0.000 0.524 356 D N 4.598 125.168 120.400 0.284 0.000 2.456 356 D HA 0.273 4.913 4.640 -0.000 0.000 0.287 356 D C -2.343 174.128 176.300 0.285 0.000 1.186 356 D CA -2.131 52.011 54.000 0.236 0.000 0.916 356 D CB 1.187 42.080 40.800 0.155 0.000 1.029 356 D HN 0.176 nan 8.370 nan 0.000 0.498 357 P HA 0.123 nan 4.420 nan 0.000 0.268 357 P C -0.463 176.827 177.300 -0.017 0.000 1.205 357 P CA -0.121 62.928 63.100 -0.084 0.000 0.771 357 P CB 0.812 32.185 31.700 -0.546 0.000 0.858 358 K N 3.292 123.650 120.400 -0.070 0.000 2.729 358 K HA 0.186 4.506 4.320 -0.000 0.000 0.269 358 K C -1.590 174.914 176.600 -0.161 0.000 1.065 358 K CA -0.647 55.599 56.287 -0.067 0.000 1.000 358 K CB 0.796 33.252 32.500 -0.073 0.000 1.283 358 K HN 0.306 nan 8.250 nan 0.000 0.491 359 Y N 2.570 122.690 120.300 -0.301 0.000 2.304 359 Y HA 0.105 4.655 4.550 0.000 0.000 0.327 359 Y C 1.210 176.861 175.900 -0.415 0.000 1.209 359 Y CA 1.013 58.730 58.100 -0.639 0.000 1.299 359 Y CB 1.305 39.459 38.460 -0.510 0.000 1.249 359 Y HN 0.739 nan 8.280 nan 0.000 0.519 360 T N 1.051 114.951 114.554 -1.090 0.000 3.556 360 T HA 0.387 4.737 4.350 -0.000 0.000 0.204 360 T C -0.584 173.716 174.700 -0.666 0.000 0.896 360 T CA 0.210 61.976 62.100 -0.556 0.000 1.380 360 T CB 0.185 68.930 68.868 -0.206 0.000 1.584 360 T HN 0.610 nan 8.240 nan 0.000 0.411 361 K N -0.143 119.857 120.400 -0.666 0.000 2.607 361 K HA 0.627 4.947 4.320 -0.000 0.000 0.287 361 K C -1.765 174.746 176.600 -0.149 0.000 0.996 361 K CA -1.091 54.994 56.287 -0.336 0.000 0.876 361 K CB 1.051 33.496 32.500 -0.093 0.000 1.496 361 K HN 0.216 nan 8.250 nan 0.000 0.415 362 L N 2.558 123.809 121.223 0.046 0.000 2.490 362 L HA 0.102 4.441 4.340 -0.000 0.000 0.274 362 L C -0.473 176.469 176.870 0.120 0.000 1.201 362 L CA 1.446 56.390 54.840 0.173 0.000 0.869 362 L CB -0.532 41.620 42.059 0.154 0.000 1.123 362 L HN 0.769 nan 8.230 nan 0.000 0.484 363 D N 1.480 121.967 120.400 0.145 0.000 2.800 363 D HA -0.220 4.420 4.640 -0.000 0.000 0.232 363 D C -0.296 175.970 176.300 -0.056 0.000 1.137 363 D CA 1.011 54.999 54.000 -0.019 0.000 0.718 363 D CB -1.219 39.540 40.800 -0.068 0.000 1.084 363 D HN 0.675 nan 8.370 nan 0.000 0.432 364 D N 0.135 120.562 120.400 0.046 0.000 2.365 364 D HA 0.189 4.829 4.640 -0.000 0.000 0.237 364 D C 1.116 177.428 176.300 0.019 0.000 1.190 364 D CA -0.331 53.693 54.000 0.040 0.000 0.867 364 D CB 0.820 41.695 40.800 0.125 0.000 1.050 364 D HN -0.123 nan 8.370 nan 0.000 0.491 365 K N 1.994 122.347 120.400 -0.080 0.000 2.360 365 K HA -0.077 4.243 4.320 -0.000 0.000 0.201 365 K C 0.803 177.522 176.600 0.199 0.000 1.046 365 K CA 1.015 57.240 56.287 -0.102 0.000 0.940 365 K CB 0.300 32.707 32.500 -0.154 0.000 0.748 365 K HN 0.435 nan 8.250 nan 0.000 0.465 366 D N -1.052 119.409 120.400 0.103 0.000 2.346 366 D HA -0.002 4.638 4.640 -0.000 0.000 0.206 366 D C -0.235 175.775 176.300 -0.484 0.000 1.001 366 D CA 0.671 54.616 54.000 -0.093 0.000 0.871 366 D CB 0.399 41.088 40.800 -0.185 0.000 0.943 366 D HN 0.247 nan 8.370 nan 0.000 0.518 367 H N -0.159 118.898 119.070 -0.022 0.000 3.287 367 H HA 0.068 4.625 4.556 0.000 0.000 0.329 367 H C -0.824 174.109 175.328 -0.658 0.000 1.130 367 H CA -0.323 55.494 56.048 -0.385 0.000 1.593 367 H CB 0.211 29.813 29.762 -0.265 0.000 1.916 367 H HN 0.094 nan 8.280 nan 0.000 0.503 368 Y N 0.549 120.253 120.300 -0.994 0.000 2.767 368 Y HA 0.555 5.105 4.550 0.000 0.000 0.254 368 Y C -0.352 174.708 175.900 -1.401 0.000 1.133 368 Y CA -0.594 56.902 58.100 -1.006 0.000 1.225 368 Y CB 0.759 39.029 38.460 -0.316 0.000 1.312 368 Y HN 0.263 nan 8.280 nan 0.000 0.560 369 S N -0.604 113.925 115.700 -1.951 0.000 2.533 369 S HA 0.257 4.727 4.470 -0.000 0.000 0.271 369 S C -0.901 173.392 174.600 -0.512 0.000 1.143 369 S CA -0.694 56.933 58.200 -0.955 0.000 0.891 369 S CB 0.353 63.266 63.200 -0.478 0.000 1.105 369 S HN 0.421 nan 8.310 nan 0.000 0.468 370 W N 2.826 124.298 121.300 0.287 0.000 2.678 370 W HA 0.242 4.902 4.660 0.000 0.000 0.256 370 W C 1.059 177.790 176.519 0.353 0.000 1.280 370 W CA -0.261 57.302 57.345 0.364 0.000 1.345 370 W CB 0.170 29.905 29.460 0.459 0.000 1.118 370 W HN 0.314 nan 8.180 nan 0.000 0.629 371 M N 1.548 121.379 119.600 0.386 0.000 2.238 371 M HA 0.088 4.568 4.480 -0.000 0.000 0.347 371 M C 0.605 177.016 176.300 0.185 0.000 1.173 371 M CA 0.492 55.939 55.300 0.245 0.000 1.147 371 M CB 0.730 33.406 32.600 0.126 0.000 1.547 371 M HN -0.190 nan 8.290 nan 0.000 0.455 372 K N 1.330 121.788 120.400 0.098 0.000 2.118 372 K HA 0.497 4.817 4.320 -0.000 0.000 0.240 372 K C -0.264 176.278 176.600 -0.096 0.000 1.035 372 K CA -0.481 55.784 56.287 -0.036 0.000 0.899 372 K CB 0.565 32.969 32.500 -0.159 0.000 1.085 372 K HN 0.739 nan 8.250 nan 0.000 0.498 373 A N 2.582 125.324 122.820 -0.129 0.000 2.394 373 A HA 0.370 4.690 4.320 -0.000 0.000 0.333 373 A C -2.483 174.927 177.584 -0.290 0.000 1.397 373 A CA -1.759 50.179 52.037 -0.166 0.000 0.884 373 A CB 0.204 19.151 19.000 -0.089 0.000 1.147 373 A HN 0.291 nan 8.150 nan 0.000 0.505 374 P HA 0.446 nan 4.420 nan 0.000 0.276 374 P C -0.520 176.341 177.300 -0.731 0.000 1.230 374 P CA -0.161 62.411 63.100 -0.881 0.000 0.776 374 P CB 0.832 31.492 31.700 -1.732 0.000 0.888 375 R N 2.004 122.101 120.500 -0.672 0.000 2.740 375 R HA 0.433 4.773 4.340 -0.000 0.000 0.273 375 R C -1.521 174.656 176.300 -0.204 0.000 0.998 375 R CA -0.804 55.075 56.100 -0.368 0.000 0.900 375 R CB 1.698 31.674 30.300 -0.540 0.000 1.223 375 R HN 0.503 nan 8.270 nan 0.000 0.466 376 Y N 2.061 122.376 120.300 0.024 0.000 2.363 376 Y HA 0.196 4.746 4.550 -0.000 0.000 0.325 376 Y C -0.066 175.906 175.900 0.121 0.000 0.984 376 Y CA -0.397 57.785 58.100 0.136 0.000 1.248 376 Y CB 0.705 39.287 38.460 0.203 0.000 1.116 376 Y HN 0.673 nan 8.280 nan 0.000 0.470 377 K N 4.245 124.633 120.400 -0.019 0.000 3.016 377 K HA -0.245 4.074 4.320 -0.000 0.000 0.262 377 K C 0.836 177.544 176.600 0.180 0.000 1.043 377 K CA 0.969 57.304 56.287 0.080 0.000 0.761 377 K CB -1.764 30.706 32.500 -0.049 0.000 1.230 377 K HN 1.312 nan 8.250 nan 0.000 0.485 378 G N -0.029 108.924 108.800 0.254 0.000 2.136 378 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.242 378 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.242 378 G C -0.215 174.763 174.900 0.129 0.000 0.989 378 G CA 0.657 45.897 45.100 0.232 0.000 0.682 378 G HN 0.315 nan 8.290 nan 0.000 0.522 379 K N 0.163 120.640 120.400 0.128 0.000 2.324 379 K HA 0.717 5.037 4.320 -0.000 0.000 0.253 379 K C 0.408 177.091 176.600 0.137 0.000 0.932 379 K CA -0.172 56.186 56.287 0.118 0.000 0.799 379 K CB 2.013 34.593 32.500 0.134 0.000 1.154 379 K HN 0.473 nan 8.250 nan 0.000 0.425 380 A N 3.704 126.578 122.820 0.089 0.000 2.407 380 A HA 0.435 4.755 4.320 -0.000 0.000 0.248 380 A C -0.296 177.360 177.584 0.120 0.000 1.082 380 A CA 0.014 52.118 52.037 0.112 0.000 0.785 380 A CB 0.257 19.281 19.000 0.039 0.000 1.020 380 A HN 0.566 nan 8.150 nan 0.000 0.489 381 M N 1.794 121.522 119.600 0.214 0.000 2.259 381 M HA 0.298 4.778 4.480 -0.000 0.000 0.304 381 M C -0.309 176.009 176.300 0.031 0.000 1.019 381 M CA -0.232 55.082 55.300 0.023 0.000 0.922 381 M CB 1.606 34.079 32.600 -0.211 0.000 1.600 381 M HN 0.945 nan 8.290 nan 0.000 0.433 382 E N 2.891 123.061 120.200 -0.051 0.000 2.289 382 E HA 0.473 4.823 4.350 -0.000 0.000 0.278 382 E C -0.976 175.661 176.600 0.062 0.000 1.032 382 E CA -0.516 55.932 56.400 0.080 0.000 0.854 382 E CB 1.079 30.840 29.700 0.103 0.000 1.046 382 E HN 0.544 nan 8.360 nan 0.000 0.409 383 V N 1.234 121.200 119.914 0.087 0.000 3.046 383 V HA 1.001 5.121 4.120 -0.000 0.000 0.316 383 V C 0.364 176.514 176.094 0.095 0.000 1.104 383 V CA 0.212 62.503 62.300 -0.014 0.000 1.006 383 V CB 1.072 32.768 31.823 -0.212 0.000 1.058 383 V HN 1.005 nan 8.190 nan 0.000 0.440 384 G N 2.068 110.899 108.800 0.052 0.000 2.352 384 G HA2 0.030 3.990 3.960 -0.000 0.000 0.324 384 G HA3 0.030 3.990 3.960 -0.000 0.000 0.324 384 G C -2.530 172.420 174.900 0.082 0.000 1.249 384 G CA 0.001 45.147 45.100 0.077 0.000 1.053 384 G HN 0.650 nan 8.290 nan 0.000 0.492 385 P HA -0.055 nan 4.420 nan 0.000 0.215 385 P C 2.266 179.559 177.300 -0.012 0.000 1.157 385 P CA 1.643 64.785 63.100 0.069 0.000 0.874 385 P CB 0.066 31.748 31.700 -0.029 0.000 0.790 386 L N -0.508 120.688 121.223 -0.045 0.000 2.017 386 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 386 L C 2.263 179.047 176.870 -0.143 0.000 1.073 386 L CA 2.081 56.843 54.840 -0.130 0.000 0.745 386 L CB -1.629 40.416 42.059 -0.024 0.000 0.894 386 L HN -0.118 nan 8.230 nan 0.000 0.432 387 A N -0.372 122.480 122.820 0.054 0.000 1.865 387 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 387 A C 2.435 179.978 177.584 -0.068 0.000 1.191 387 A CA 2.037 54.116 52.037 0.069 0.000 0.623 387 A CB -0.642 18.470 19.000 0.186 0.000 0.826 387 A HN 0.487 nan 8.150 nan 0.000 0.444 388 R N -1.158 119.306 120.500 -0.059 0.000 2.091 388 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 388 R C 2.325 178.377 176.300 -0.414 0.000 1.136 388 R CA 1.924 57.941 56.100 -0.139 0.000 0.959 388 R CB -0.799 29.524 30.300 0.039 0.000 0.856 388 R HN 0.574 nan 8.270 nan 0.000 0.437 389 T N 0.620 114.957 114.554 -0.361 0.000 2.777 389 T HA -0.103 4.246 4.350 -0.000 0.000 0.266 389 T C 1.436 175.877 174.700 -0.433 0.000 1.040 389 T CA 1.196 63.021 62.100 -0.458 0.000 1.141 389 T CB -0.232 68.460 68.868 -0.295 0.000 0.868 389 T HN 0.060 nan 8.240 nan 0.000 0.444 390 F N 1.041 120.778 119.950 -0.355 0.000 2.134 390 F HA 0.083 4.609 4.527 -0.000 0.000 0.299 390 F C 2.134 177.816 175.800 -0.196 0.000 1.097 390 F CA 0.282 58.095 58.000 -0.312 0.000 1.264 390 F CB -0.706 37.969 39.000 -0.541 0.000 1.001 390 F HN 0.136 nan 8.300 nan 0.000 0.479 391 I N -0.543 119.999 120.570 -0.047 0.000 2.202 391 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 391 I C 2.601 178.641 176.117 -0.128 0.000 1.091 391 I CA 1.258 62.519 61.300 -0.065 0.000 1.368 391 I CB -0.809 37.147 38.000 -0.072 0.000 1.058 391 I HN 0.068 nan 8.210 nan 0.000 0.410 392 A N -0.007 122.617 122.820 -0.327 0.000 1.902 392 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 392 A C 2.305 179.791 177.584 -0.164 0.000 1.181 392 A CA 1.557 53.352 52.037 -0.403 0.000 0.623 392 A CB -1.012 17.274 19.000 -1.190 0.000 0.818 392 A HN 0.513 nan 8.150 nan 0.000 0.443 393 Y N 0.473 120.636 120.300 -0.228 0.000 2.163 393 Y HA -0.034 4.516 4.550 -0.000 0.000 0.288 393 Y C 2.667 178.550 175.900 -0.029 0.000 1.136 393 Y CA 1.214 59.267 58.100 -0.079 0.000 1.147 393 Y CB -0.465 37.951 38.460 -0.073 0.000 0.987 393 Y HN 0.304 nan 8.280 nan 0.000 0.509 394 A N 0.244 123.112 122.820 0.080 0.000 1.940 394 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 394 A C 2.077 179.627 177.584 -0.057 0.000 1.176 394 A CA 1.907 53.955 52.037 0.017 0.000 0.631 394 A CB -0.505 18.535 19.000 0.067 0.000 0.814 394 A HN 0.506 nan 8.150 nan 0.000 0.446 395 K N -1.470 118.896 120.400 -0.058 0.000 2.444 395 K HA 0.202 4.522 4.320 -0.000 0.000 0.193 395 K C 0.900 177.460 176.600 -0.067 0.000 1.024 395 K CA 0.454 56.711 56.287 -0.050 0.000 1.077 395 K CB -0.052 32.428 32.500 -0.032 0.000 0.833 395 K HN 0.666 nan 8.250 nan 0.000 0.517 396 G N 2.168 110.897 108.800 -0.120 0.000 2.160 396 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 396 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 396 G C -0.145 174.722 174.900 -0.055 0.000 1.022 396 G CA -0.139 44.884 45.100 -0.129 0.000 0.741 396 G HN 0.312 nan 8.290 nan 0.000 0.508 397 Q N -0.039 119.752 119.800 -0.015 0.000 2.244 397 Q HA 0.126 4.465 4.340 -0.000 0.000 0.278 397 Q C -0.809 175.241 176.000 0.083 0.000 1.093 397 Q CA -0.828 55.014 55.803 0.065 0.000 0.916 397 Q CB 0.940 29.750 28.738 0.120 0.000 1.159 397 Q HN 0.264 nan 8.270 nan 0.000 0.384 398 P HA -0.150 nan 4.420 nan 0.000 0.215 398 P C 0.394 177.700 177.300 0.011 0.000 1.153 398 P CA 1.107 64.216 63.100 0.016 0.000 0.853 398 P CB 0.364 32.067 31.700 0.005 0.000 0.788 399 D N -1.333 119.070 120.400 0.004 0.000 2.084 399 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 399 D C 1.836 178.061 176.300 -0.124 0.000 0.990 399 D CA 1.123 55.067 54.000 -0.094 0.000 0.826 399 D CB -1.006 39.696 40.800 -0.164 0.000 0.971 399 D HN 0.119 nan 8.370 nan 0.000 0.453 400 F N 1.358 121.251 119.950 -0.095 0.000 2.126 400 F HA -0.132 4.394 4.527 -0.000 0.000 0.299 400 F C 2.381 178.203 175.800 0.037 0.000 1.096 400 F CA 1.118 59.071 58.000 -0.079 0.000 1.255 400 F CB -0.194 38.747 39.000 -0.099 0.000 0.997 400 F HN -0.117 nan 8.300 nan 0.000 0.479 401 K N 0.858 121.387 120.400 0.214 0.000 2.032 401 K HA -0.268 4.052 4.320 -0.000 0.000 0.209 401 K C 2.274 178.951 176.600 0.128 0.000 1.048 401 K CA 1.779 58.163 56.287 0.163 0.000 0.927 401 K CB -0.251 32.233 32.500 -0.027 0.000 0.712 401 K HN 0.173 nan 8.250 nan 0.000 0.441 402 K N 0.280 120.700 120.400 0.033 0.000 2.057 402 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 402 K C 1.881 178.456 176.600 -0.042 0.000 1.049 402 K CA 1.473 57.751 56.287 -0.015 0.000 0.931 402 K CB 0.110 32.580 32.500 -0.050 0.000 0.714 402 K HN 0.031 nan 8.250 nan 0.000 0.440 403 V N 0.427 120.295 119.914 -0.077 0.000 2.591 403 V HA -0.147 3.973 4.120 -0.000 0.000 0.249 403 V C 2.227 178.250 176.094 -0.119 0.000 1.053 403 V CA 0.962 63.183 62.300 -0.131 0.000 1.068 403 V CB 0.265 31.957 31.823 -0.217 0.000 0.689 403 V HN 0.122 nan 8.190 nan 0.000 0.462 404 V N 0.479 120.350 119.914 -0.071 0.000 2.261 404 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 404 V C 2.305 178.326 176.094 -0.122 0.000 1.047 404 V CA 2.275 64.485 62.300 -0.150 0.000 1.015 404 V CB -0.701 30.961 31.823 -0.269 0.000 0.642 404 V HN 0.530 nan 8.190 nan 0.000 0.446 405 D N -0.436 119.957 120.400 -0.013 0.000 2.182 405 D HA -0.192 4.448 4.640 -0.000 0.000 0.201 405 D C 2.035 178.306 176.300 -0.049 0.000 0.986 405 D CA 1.178 55.175 54.000 -0.005 0.000 0.847 405 D CB -0.357 40.474 40.800 0.051 0.000 0.942 405 D HN 0.300 nan 8.370 nan 0.000 0.467 406 M N 0.725 120.285 119.600 -0.068 0.000 2.159 406 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 406 M C 1.782 178.019 176.300 -0.104 0.000 1.063 406 M CA 1.087 56.336 55.300 -0.085 0.000 1.110 406 M CB -0.199 32.342 32.600 -0.099 0.000 1.374 406 M HN -0.123 nan 8.290 nan 0.000 0.411 407 V N 0.999 120.837 119.914 -0.128 0.000 2.283 407 V HA -0.260 3.860 4.120 -0.000 0.000 0.243 407 V C 2.640 178.660 176.094 -0.123 0.000 1.039 407 V CA 1.366 63.579 62.300 -0.145 0.000 1.016 407 V CB -0.799 30.914 31.823 -0.184 0.000 0.650 407 V HN 0.461 nan 8.190 nan 0.000 0.449 408 L N 0.621 121.770 121.223 -0.122 0.000 2.043 408 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 408 L C 2.656 179.484 176.870 -0.069 0.000 1.075 408 L CA 1.939 56.721 54.840 -0.098 0.000 0.752 408 L CB -1.300 40.702 42.059 -0.096 0.000 0.891 408 L HN 0.499 nan 8.230 nan 0.000 0.432 409 G N -0.209 108.553 108.800 -0.063 0.000 2.421 409 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.216 409 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.216 409 G C 1.700 176.563 174.900 -0.061 0.000 1.171 409 G CA 0.387 45.455 45.100 -0.052 0.000 0.775 409 G HN 0.145 nan 8.290 nan 0.000 0.543 410 K N 0.301 120.655 120.400 -0.075 0.000 2.032 410 K HA 0.034 4.353 4.320 -0.000 0.000 0.209 410 K C 2.399 178.951 176.600 -0.080 0.000 1.048 410 K CA 0.792 57.031 56.287 -0.081 0.000 0.927 410 K CB -0.608 31.833 32.500 -0.097 0.000 0.712 410 K HN 0.355 nan 8.250 nan 0.000 0.441 411 L N 1.141 122.315 121.223 -0.082 0.000 2.591 411 L HA 0.041 4.381 4.340 -0.000 0.000 0.228 411 L C 0.180 177.016 176.870 -0.056 0.000 1.133 411 L CA -0.075 54.721 54.840 -0.073 0.000 0.880 411 L CB -0.277 41.738 42.059 -0.074 0.000 1.033 411 L HN 0.020 nan 8.230 nan 0.000 0.450 412 S N 0.486 116.155 115.700 -0.052 0.000 3.477 412 S HA -0.117 4.353 4.470 -0.000 0.000 0.371 412 S C -0.040 174.544 174.600 -0.027 0.000 0.965 412 S CA 0.704 58.882 58.200 -0.038 0.000 1.239 412 S CB -1.676 61.502 63.200 -0.037 0.000 0.918 412 S HN 0.415 nan 8.310 nan 0.000 0.498 413 V N -2.331 117.566 119.914 -0.029 0.000 3.040 413 V HA 0.976 5.096 4.120 -0.000 0.000 0.312 413 V C -2.598 173.487 176.094 -0.016 0.000 1.115 413 V CA -2.567 59.723 62.300 -0.016 0.000 0.998 413 V CB 2.062 33.878 31.823 -0.011 0.000 1.042 413 V HN 0.064 nan 8.190 nan 0.000 0.433 414 P HA 0.487 nan 4.420 nan 0.000 0.278 414 P C 0.644 177.946 177.300 0.004 0.000 1.258 414 P CA -0.098 63.010 63.100 0.012 0.000 0.811 414 P CB 1.461 33.181 31.700 0.033 0.000 1.063 415 A N 0.981 123.802 122.820 0.002 0.000 2.019 415 A HA -0.153 4.166 4.320 -0.000 0.000 0.219 415 A C 1.823 179.441 177.584 0.056 0.000 1.164 415 A CA 2.248 54.261 52.037 -0.040 0.000 0.644 415 A CB -1.975 16.992 19.000 -0.054 0.000 0.805 415 A HN 0.688 nan 8.150 nan 0.000 0.449 416 T N -2.361 112.267 114.554 0.123 0.000 2.977 416 T HA 0.117 4.467 4.350 -0.000 0.000 0.271 416 T C 1.676 176.503 174.700 0.213 0.000 1.105 416 T CA 1.203 63.449 62.100 0.243 0.000 1.116 416 T CB -0.393 68.587 68.868 0.186 0.000 0.878 416 T HN 0.553 nan 8.240 nan 0.000 0.509 417 A N 1.093 123.976 122.820 0.106 0.000 2.168 417 A HA 0.334 4.654 4.320 -0.000 0.000 0.215 417 A C 2.211 179.837 177.584 0.071 0.000 1.152 417 A CA 0.475 52.563 52.037 0.085 0.000 0.716 417 A CB -0.714 18.311 19.000 0.041 0.000 0.794 417 A HN 0.578 nan 8.150 nan 0.000 0.465 418 L N -0.667 120.570 121.223 0.024 0.000 2.395 418 L HA -0.024 4.316 4.340 -0.000 0.000 0.218 418 L C 0.523 177.456 176.870 0.104 0.000 1.130 418 L CA 0.149 54.950 54.840 -0.064 0.000 0.826 418 L CB -0.401 41.432 42.059 -0.375 0.000 0.941 418 L HN 0.387 nan 8.230 nan 0.000 0.451 419 H N 1.267 120.547 119.070 0.351 0.000 3.195 419 H HA 0.236 4.792 4.556 -0.000 0.000 0.241 419 H C 0.185 175.638 175.328 0.209 0.000 1.823 419 H CA 0.316 56.559 56.048 0.324 0.000 1.466 419 H CB -0.285 29.594 29.762 0.195 0.000 1.819 419 H HN 0.282 nan 8.280 nan 0.000 0.575 420 S N -0.784 115.077 115.700 0.269 0.000 2.656 420 S HA 0.070 4.540 4.470 -0.000 0.000 0.265 420 S C 0.824 175.540 174.600 0.193 0.000 1.110 420 S CA -0.661 57.666 58.200 0.213 0.000 0.821 420 S CB 1.116 64.432 63.200 0.194 0.000 1.099 420 S HN 0.138 nan 8.310 nan 0.000 0.471 421 T N 1.034 115.754 114.554 0.276 0.000 2.867 421 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 421 T C 1.713 176.596 174.700 0.304 0.000 1.057 421 T CA 1.600 63.900 62.100 0.334 0.000 1.136 421 T CB -0.545 68.691 68.868 0.614 0.000 0.874 421 T HN 0.486 nan 8.240 nan 0.000 0.466 422 L N 1.555 122.961 121.223 0.304 0.000 1.994 422 L HA 0.121 4.460 4.340 -0.000 0.000 0.208 422 L C 2.599 179.486 176.870 0.028 0.000 1.071 422 L CA 2.066 56.992 54.840 0.144 0.000 0.745 422 L CB -1.360 40.803 42.059 0.173 0.000 0.892 422 L HN 0.280 nan 8.230 nan 0.000 0.431 423 G N -0.968 107.848 108.800 0.028 0.000 2.446 423 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.217 423 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.217 423 G C 1.836 176.678 174.900 -0.096 0.000 1.168 423 G CA 0.869 45.926 45.100 -0.073 0.000 0.771 423 G HN 0.405 nan 8.290 nan 0.000 0.551 424 R N -0.304 120.178 120.500 -0.030 0.000 2.091 424 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 424 R C 2.663 178.943 176.300 -0.034 0.000 1.136 424 R CA 1.956 58.019 56.100 -0.063 0.000 0.959 424 R CB -0.415 29.813 30.300 -0.120 0.000 0.856 424 R HN 0.364 nan 8.270 nan 0.000 0.437 425 T N 0.126 114.706 114.554 0.043 0.000 2.770 425 T HA -0.036 4.314 4.350 -0.000 0.000 0.263 425 T C 1.774 176.449 174.700 -0.042 0.000 1.039 425 T CA 1.194 63.358 62.100 0.106 0.000 1.142 425 T CB -0.213 68.732 68.868 0.128 0.000 0.868 425 T HN 0.429 nan 8.240 nan 0.000 0.435 426 A N 1.537 124.281 122.820 -0.127 0.000 1.898 426 A HA 0.209 4.529 4.320 -0.000 0.000 0.216 426 A C 2.656 180.108 177.584 -0.219 0.000 1.181 426 A CA 1.727 53.638 52.037 -0.210 0.000 0.620 426 A CB -1.131 17.742 19.000 -0.211 0.000 0.819 426 A HN 0.485 nan 8.150 nan 0.000 0.442 427 A N -0.082 122.620 122.820 -0.196 0.000 1.917 427 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 427 A C 2.232 179.736 177.584 -0.134 0.000 1.182 427 A CA 2.018 53.945 52.037 -0.184 0.000 0.633 427 A CB -0.552 18.328 19.000 -0.201 0.000 0.819 427 A HN 0.573 nan 8.150 nan 0.000 0.448 428 R N -0.771 119.636 120.500 -0.154 0.000 2.091 428 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 428 R C 2.252 178.461 176.300 -0.152 0.000 1.136 428 R CA 1.746 57.700 56.100 -0.244 0.000 0.959 428 R CB -0.679 29.474 30.300 -0.246 0.000 0.856 428 R HN 0.478 nan 8.270 nan 0.000 0.437 429 G N 0.605 109.267 108.800 -0.230 0.000 2.402 429 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.216 429 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.216 429 G C 1.457 176.151 174.900 -0.343 0.000 1.162 429 G CA 0.735 45.524 45.100 -0.519 0.000 0.777 429 G HN 0.264 nan 8.290 nan 0.000 0.539 430 I N 1.550 121.958 120.570 -0.271 0.000 2.091 430 I HA -0.289 3.881 4.170 -0.000 0.000 0.239 430 I C 2.990 178.976 176.117 -0.218 0.000 1.061 430 I CA 2.123 63.277 61.300 -0.244 0.000 1.317 430 I CB -0.266 37.611 38.000 -0.205 0.000 1.031 430 I HN 0.502 nan 8.210 nan 0.000 0.401 431 E N 0.064 120.223 120.200 -0.068 0.000 2.204 431 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 431 E C 1.872 178.609 176.600 0.227 0.000 0.989 431 E CA 1.680 58.112 56.400 0.054 0.000 0.824 431 E CB -0.496 29.456 29.700 0.419 0.000 0.756 431 E HN 0.390 nan 8.360 nan 0.000 0.477 432 T N 1.212 115.921 114.554 0.257 0.000 2.708 432 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 432 T C 2.073 176.828 174.700 0.091 0.000 1.037 432 T CA 1.580 63.858 62.100 0.297 0.000 1.146 432 T CB -0.370 68.735 68.868 0.394 0.000 0.865 432 T HN 0.425 nan 8.240 nan 0.000 0.435 433 A N 0.894 123.679 122.820 -0.059 0.000 1.978 433 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 433 A C 2.268 179.763 177.584 -0.149 0.000 1.170 433 A CA 1.200 53.160 52.037 -0.129 0.000 0.636 433 A CB -0.742 18.134 19.000 -0.206 0.000 0.810 433 A HN 0.554 nan 8.150 nan 0.000 0.448 434 I N -0.938 119.525 120.570 -0.178 0.000 2.277 434 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 434 I C 2.317 178.360 176.117 -0.123 0.000 1.094 434 I CA 0.731 61.897 61.300 -0.225 0.000 1.393 434 I CB -0.380 37.329 38.000 -0.485 0.000 1.078 434 I HN 0.125 nan 8.210 nan 0.000 0.417 435 V N 0.485 120.418 119.914 0.031 0.000 2.282 435 V HA -0.381 3.739 4.120 -0.000 0.000 0.249 435 V C 2.660 178.646 176.094 -0.181 0.000 1.057 435 V CA 2.071 64.328 62.300 -0.072 0.000 1.032 435 V CB -0.686 31.176 31.823 0.065 0.000 0.645 435 V HN 0.582 nan 8.190 nan 0.000 0.447 436 c N 0.095 118.640 118.600 -0.093 0.000 2.401 436 c HA -0.182 4.388 4.570 -0.000 0.000 0.276 436 c C 3.023 176.999 174.090 -0.191 0.000 1.233 436 c CA 1.005 57.267 56.329 -0.111 0.000 1.753 436 c CB -1.353 41.122 42.510 -0.059 0.000 2.029 436 c HN 0.655 nan 8.230 nan 0.000 0.478 437 A N -0.067 122.620 122.820 -0.222 0.000 2.121 437 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 437 A C 1.847 179.218 177.584 -0.355 0.000 1.154 437 A CA 1.387 53.277 52.037 -0.244 0.000 0.679 437 A CB -0.427 18.441 19.000 -0.221 0.000 0.795 437 A HN 0.762 nan 8.150 nan 0.000 0.458 438 N N -1.091 117.283 118.700 -0.543 0.000 2.282 438 N HA 0.047 4.787 4.740 -0.000 0.000 0.185 438 N C 1.297 176.247 175.510 -0.933 0.000 1.099 438 N CA 0.185 52.651 53.050 -0.973 0.000 0.878 438 N CB 0.017 37.486 38.487 -1.698 0.000 0.993 438 N HN 0.275 nan 8.380 nan 0.000 0.481 439 M N 1.363 120.673 119.600 -0.484 0.000 2.065 439 M HA -0.131 4.349 4.480 -0.000 0.000 0.259 439 M C 2.051 178.296 176.300 -0.092 0.000 1.069 439 M CA 1.394 56.590 55.300 -0.172 0.000 1.110 439 M CB -1.107 31.425 32.600 -0.113 0.000 1.328 439 M HN 0.189 nan 8.290 nan 0.000 0.405 440 E N 0.262 120.379 120.200 -0.138 0.000 2.085 440 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 440 E C 2.122 178.691 176.600 -0.052 0.000 0.994 440 E CA 1.472 57.826 56.400 -0.076 0.000 0.801 440 E CB 0.019 29.666 29.700 -0.089 0.000 0.743 440 E HN 0.431 nan 8.360 nan 0.000 0.453 441 K N -0.067 120.251 120.400 -0.137 0.000 2.002 441 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 441 K C 1.984 178.626 176.600 0.071 0.000 1.048 441 K CA 1.619 57.853 56.287 -0.088 0.000 0.930 441 K CB -0.227 32.156 32.500 -0.196 0.000 0.714 441 K HN 0.178 nan 8.250 nan 0.000 0.438 442 W N 1.349 122.632 121.300 -0.028 0.000 2.335 442 W HA -0.144 4.516 4.660 -0.000 0.000 0.311 442 W C 2.066 178.595 176.519 0.016 0.000 1.213 442 W CA 0.690 58.026 57.345 -0.015 0.000 1.274 442 W CB -0.948 28.486 29.460 -0.043 0.000 1.148 442 W HN 0.123 nan 8.180 nan 0.000 0.498 443 I N 0.248 120.980 120.570 0.270 0.000 2.163 443 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 443 I C 2.480 178.676 176.117 0.131 0.000 1.085 443 I CA 1.870 63.294 61.300 0.205 0.000 1.347 443 I CB -0.715 37.409 38.000 0.207 0.000 1.044 443 I HN -0.117 nan 8.210 nan 0.000 0.408 444 K N 1.107 121.567 120.400 0.100 0.000 2.103 444 K HA -0.268 4.052 4.320 -0.000 0.000 0.207 444 K C 2.095 178.738 176.600 0.072 0.000 1.048 444 K CA 1.723 58.051 56.287 0.068 0.000 0.930 444 K CB -0.113 32.412 32.500 0.042 0.000 0.716 444 K HN 0.302 nan 8.250 nan 0.000 0.444 445 E N 0.235 120.495 120.200 0.099 0.000 2.058 445 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 445 E C 2.040 178.683 176.600 0.071 0.000 0.997 445 E CA 1.614 58.070 56.400 0.093 0.000 0.801 445 E CB -0.106 29.675 29.700 0.135 0.000 0.746 445 E HN 0.411 nan 8.360 nan 0.000 0.450 446 M N 0.011 119.655 119.600 0.075 0.000 2.156 446 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 446 M C 2.245 178.568 176.300 0.038 0.000 1.067 446 M CA 1.504 56.831 55.300 0.046 0.000 1.131 446 M CB -0.039 32.579 32.600 0.030 0.000 1.368 446 M HN 0.217 nan 8.290 nan 0.000 0.416 447 A N 0.662 123.510 122.820 0.047 0.000 1.892 447 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 447 A C 1.643 179.249 177.584 0.036 0.000 1.188 447 A CA 2.342 54.403 52.037 0.040 0.000 0.631 447 A CB -1.039 17.989 19.000 0.047 0.000 0.822 447 A HN 0.551 nan 8.150 nan 0.000 0.447 448 D N -0.801 119.623 120.400 0.039 0.000 2.084 448 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 448 D C 2.313 178.633 176.300 0.034 0.000 0.985 448 D CA 1.605 55.626 54.000 0.034 0.000 0.826 448 D CB -0.581 40.240 40.800 0.035 0.000 0.978 448 D HN 0.386 nan 8.370 nan 0.000 0.456 449 S N -0.245 115.477 115.700 0.036 0.000 2.359 449 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 449 S C 2.103 176.725 174.600 0.037 0.000 1.035 449 S CA 1.835 60.057 58.200 0.035 0.000 1.018 449 S CB -0.602 62.618 63.200 0.035 0.000 0.876 449 S HN 0.334 nan 8.310 nan 0.000 0.448 450 G N 0.206 109.028 108.800 0.038 0.000 2.443 450 G HA2 0.067 4.026 3.960 -0.000 0.000 0.219 450 G HA3 0.067 4.026 3.960 -0.000 0.000 0.219 450 G C 1.542 176.469 174.900 0.045 0.000 1.131 450 G CA 0.850 45.977 45.100 0.045 0.000 0.775 450 G HN 0.663 nan 8.290 nan 0.000 0.547 451 A N 0.491 123.333 122.820 0.036 0.000 1.968 451 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 451 A C 2.393 179.994 177.584 0.029 0.000 1.169 451 A CA 1.456 53.512 52.037 0.031 0.000 0.638 451 A CB -0.127 18.889 19.000 0.027 0.000 0.812 451 A HN 0.183 nan 8.150 nan 0.000 0.446 452 K N -0.092 120.326 120.400 0.030 0.000 1.991 452 K HA -0.002 4.318 4.320 -0.000 0.000 0.207 452 K C 0.038 176.656 176.600 0.030 0.000 1.045 452 K CA 0.990 57.293 56.287 0.027 0.000 0.937 452 K CB -0.155 32.360 32.500 0.026 0.000 0.720 452 K HN 0.490 nan 8.250 nan 0.000 0.438 453 D N 0.127 120.549 120.400 0.038 0.000 2.855 453 D HA 0.053 4.693 4.640 -0.000 0.000 0.241 453 D C -0.801 175.538 176.300 0.065 0.000 1.277 453 D CA -0.232 53.795 54.000 0.045 0.000 0.918 453 D CB 0.870 41.694 40.800 0.040 0.000 1.462 453 D HN 0.190 nan 8.370 nan 0.000 0.559 454 N N 1.320 120.071 118.700 0.085 0.000 2.295 454 N HA 0.027 4.767 4.740 -0.000 0.000 0.221 454 N C -0.326 175.322 175.510 0.230 0.000 1.129 454 N CA -0.415 52.723 53.050 0.146 0.000 0.836 454 N CB 0.331 38.914 38.487 0.161 0.000 1.040 454 N HN 0.033 nan 8.380 nan 0.000 0.494 455 T N 1.068 115.719 114.554 0.161 0.000 2.905 455 T HA -0.012 4.338 4.350 -0.000 0.000 0.299 455 T C 0.594 175.383 174.700 0.148 0.000 1.024 455 T CA 0.040 62.246 62.100 0.177 0.000 1.151 455 T CB 1.237 70.168 68.868 0.104 0.000 0.987 455 T HN 0.243 nan 8.240 nan 0.000 0.535 456 L N 2.758 124.070 121.223 0.149 0.000 3.227 456 L HA 0.439 4.779 4.340 -0.000 0.000 0.287 456 L C 0.004 176.852 176.870 -0.037 0.000 1.161 456 L CA 0.198 55.019 54.840 -0.031 0.000 1.048 456 L CB 0.761 42.620 42.059 -0.333 0.000 1.541 456 L HN 0.777 nan 8.230 nan 0.000 0.590 457 C N 0.534 119.865 119.300 0.052 0.000 2.701 457 C HA 0.854 5.314 4.460 -0.000 0.000 0.336 457 C C 0.125 175.184 174.990 0.115 0.000 1.123 457 C CA -0.351 58.707 59.018 0.066 0.000 1.326 457 C CB 0.483 28.270 27.740 0.080 0.000 1.833 457 C HN 0.463 nan 8.230 nan 0.000 0.473 458 A N 5.129 128.019 122.820 0.116 0.000 2.279 458 A HA 0.672 4.992 4.320 -0.000 0.000 0.303 458 A C -0.315 177.403 177.584 0.223 0.000 1.108 458 A CA -0.417 51.702 52.037 0.137 0.000 0.830 458 A CB 0.529 19.590 19.000 0.102 0.000 1.106 458 A HN 0.900 nan 8.150 nan 0.000 0.493 459 K N 1.301 121.801 120.400 0.167 0.000 2.237 459 K HA 0.338 4.658 4.320 -0.000 0.000 0.270 459 K C -0.779 175.962 176.600 0.236 0.000 1.015 459 K CA 0.219 56.590 56.287 0.140 0.000 0.949 459 K CB 0.704 33.233 32.500 0.048 0.000 0.976 459 K HN 0.789 nan 8.250 nan 0.000 0.472 460 W N 1.123 122.430 121.300 0.011 0.000 3.146 460 W HA 0.472 5.132 4.660 0.000 0.000 0.319 460 W C -1.432 175.093 176.519 0.009 0.000 1.258 460 W CA -0.757 56.592 57.345 0.007 0.000 1.189 460 W CB 0.783 30.245 29.460 0.004 0.000 1.412 460 W HN 0.407 nan 8.180 nan 0.000 0.567 461 E N 1.631 121.942 120.200 0.185 0.000 2.266 461 E HA 0.468 4.818 4.350 -0.000 0.000 0.268 461 E C -0.860 175.904 176.600 0.273 0.000 0.879 461 E CA -1.128 55.268 56.400 -0.007 0.000 0.762 461 E CB 2.060 31.753 29.700 -0.011 0.000 1.199 461 E HN 0.398 nan 8.360 nan 0.000 0.422 462 M N 5.814 125.512 119.600 0.163 0.000 2.194 462 M HA 0.340 4.820 4.480 -0.000 0.000 0.347 462 M C -2.340 174.055 176.300 0.159 0.000 1.439 462 M CA -1.897 53.594 55.300 0.317 0.000 1.131 462 M CB 0.672 33.439 32.600 0.278 0.000 1.733 462 M HN 0.214 nan 8.290 nan 0.000 0.467 463 P HA 0.185 nan 4.420 nan 0.000 0.279 463 P C -0.301 177.040 177.300 0.068 0.000 1.252 463 P CA -0.187 62.965 63.100 0.085 0.000 0.811 463 P CB 0.817 32.561 31.700 0.073 0.000 1.035 464 E N 0.524 120.751 120.200 0.045 0.000 2.051 464 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 464 E C 0.282 176.902 176.600 0.033 0.000 0.991 464 E CA 1.489 57.911 56.400 0.036 0.000 0.799 464 E CB 0.277 29.991 29.700 0.024 0.000 0.748 464 E HN 0.601 nan 8.360 nan 0.000 0.449 465 E N -0.387 119.828 120.200 0.026 0.000 2.275 465 E HA 0.391 4.741 4.350 -0.000 0.000 0.270 465 E C -1.411 175.194 176.600 0.007 0.000 0.882 465 E CA -0.338 56.071 56.400 0.015 0.000 0.758 465 E CB 1.767 31.470 29.700 0.005 0.000 1.195 465 E HN -0.042 nan 8.360 nan 0.000 0.419 466 S N 2.495 118.194 115.700 -0.001 0.000 2.643 466 S HA 0.508 4.978 4.470 -0.000 0.000 0.266 466 S C -2.105 172.472 174.600 -0.038 0.000 1.130 466 S CA -0.885 57.305 58.200 -0.017 0.000 0.817 466 S CB 0.855 64.060 63.200 0.008 0.000 1.107 466 S HN 0.536 nan 8.310 nan 0.000 0.471 467 K N 0.403 120.761 120.400 -0.070 0.000 2.512 467 K HA 0.852 5.172 4.320 -0.000 0.000 0.263 467 K C -0.490 176.115 176.600 0.007 0.000 0.966 467 K CA -0.937 55.298 56.287 -0.086 0.000 0.851 467 K CB 1.682 33.942 32.500 -0.400 0.000 1.395 467 K HN 0.877 nan 8.250 nan 0.000 0.440 468 G N 0.283 109.179 108.800 0.160 0.000 2.703 468 G HA2 0.501 4.461 3.960 -0.000 0.000 0.294 468 G HA3 0.501 4.461 3.960 -0.000 0.000 0.294 468 G C -2.072 172.872 174.900 0.074 0.000 1.451 468 G CA -0.666 44.496 45.100 0.103 0.000 0.869 468 G HN 0.505 nan 8.290 nan 0.000 0.516 469 V N 0.307 120.136 119.914 -0.143 0.000 2.686 469 V HA 0.897 5.017 4.120 -0.000 0.000 0.306 469 V C 0.115 175.912 176.094 -0.495 0.000 1.065 469 V CA 0.152 62.133 62.300 -0.531 0.000 0.894 469 V CB 1.825 33.080 31.823 -0.948 0.000 1.004 469 V HN 1.450 nan 8.190 nan 0.000 0.424 470 G N 6.573 115.051 108.800 -0.537 0.000 2.417 470 G HA2 0.667 4.627 3.960 -0.000 0.000 0.320 470 G HA3 0.667 4.627 3.960 -0.000 0.000 0.320 470 G C -1.229 173.339 174.900 -0.553 0.000 1.204 470 G CA -0.595 44.226 45.100 -0.465 0.000 0.923 470 G HN 0.773 nan 8.290 nan 0.000 0.466 471 L N 1.414 122.282 121.223 -0.592 0.000 2.334 471 L HA 0.878 5.218 4.340 -0.000 0.000 0.273 471 L C 0.323 176.880 176.870 -0.523 0.000 1.013 471 L CA -0.862 53.635 54.840 -0.571 0.000 0.816 471 L CB 2.148 43.759 42.059 -0.746 0.000 1.278 471 L HN 0.646 nan 8.230 nan 0.000 0.431 472 A N 1.149 123.856 122.820 -0.189 0.000 2.594 472 A HA 0.575 4.895 4.320 -0.000 0.000 0.295 472 A C -1.775 175.863 177.584 0.090 0.000 1.071 472 A CA -0.571 51.394 52.037 -0.121 0.000 0.685 472 A CB 1.678 20.553 19.000 -0.208 0.000 1.285 472 A HN 0.675 nan 8.150 nan 0.000 0.405 473 D N 1.401 121.856 120.400 0.093 0.000 2.467 473 D HA 0.560 5.200 4.640 -0.000 0.000 0.220 473 D C 0.617 177.000 176.300 0.140 0.000 1.103 473 D CA 0.503 54.569 54.000 0.110 0.000 0.886 473 D CB 1.182 42.083 40.800 0.168 0.000 1.025 473 D HN 0.844 nan 8.370 nan 0.000 0.514 474 A N 3.827 126.682 122.820 0.058 0.000 2.346 474 A HA 0.277 4.597 4.320 -0.000 0.000 0.255 474 A C -1.188 176.356 177.584 -0.067 0.000 1.113 474 A CA -0.798 51.259 52.037 0.033 0.000 0.798 474 A CB 0.076 19.049 19.000 -0.045 0.000 1.073 474 A HN 0.390 nan 8.150 nan 0.000 0.502 475 P HA -0.132 nan 4.420 nan 0.000 0.217 475 P C 1.052 178.322 177.300 -0.050 0.000 1.148 475 P CA 1.493 64.316 63.100 -0.462 0.000 0.828 475 P CB 0.065 31.562 31.700 -0.338 0.000 0.783 476 R N -1.858 118.642 120.500 0.001 0.000 2.280 476 R HA 0.382 4.722 4.340 -0.000 0.000 0.195 476 R C 1.119 177.460 176.300 0.067 0.000 0.935 476 R CA 0.533 56.666 56.100 0.056 0.000 1.033 476 R CB 0.224 30.575 30.300 0.085 0.000 0.964 476 R HN 0.219 nan 8.270 nan 0.000 0.489 477 G N -0.081 108.742 108.800 0.039 0.000 2.293 477 G HA2 0.083 4.043 3.960 -0.000 0.000 0.282 477 G HA3 0.083 4.043 3.960 -0.000 0.000 0.282 477 G C -1.407 173.450 174.900 -0.072 0.000 1.299 477 G CA -0.654 44.444 45.100 -0.003 0.000 1.018 477 G HN 0.177 nan 8.290 nan 0.000 0.478 478 A N -0.316 122.334 122.820 -0.284 0.000 2.526 478 A HA 0.519 4.839 4.320 -0.000 0.000 0.267 478 A C 0.059 177.538 177.584 -0.175 0.000 1.095 478 A CA 0.985 52.666 52.037 -0.592 0.000 0.775 478 A CB 0.041 18.100 19.000 -1.568 0.000 1.036 478 A HN 2.101 nan 8.150 nan 0.000 0.510 479 L N 3.546 124.848 121.223 0.133 0.000 2.346 479 L HA 0.786 5.126 4.340 -0.000 0.000 0.276 479 L C -0.028 177.068 176.870 0.377 0.000 1.006 479 L CA 0.202 55.200 54.840 0.263 0.000 0.817 479 L CB 2.139 44.229 42.059 0.051 0.000 1.272 479 L HN 0.690 nan 8.230 nan 0.000 0.421 480 S N 2.277 118.211 115.700 0.390 0.000 2.548 480 S HA 0.616 5.086 4.470 -0.000 0.000 0.276 480 S C -1.014 173.663 174.600 0.128 0.000 1.129 480 S CA -0.746 57.492 58.200 0.062 0.000 0.931 480 S CB 0.998 64.194 63.200 -0.006 0.000 1.068 480 S HN 0.786 nan 8.310 nan 0.000 0.480 481 H N 0.523 119.331 119.070 -0.437 0.000 2.495 481 H HA 0.473 5.029 4.556 -0.000 0.000 0.348 481 H C -1.591 173.297 175.328 -0.734 0.000 1.113 481 H CA -0.728 55.112 56.048 -0.347 0.000 1.195 481 H CB 1.384 31.058 29.762 -0.147 0.000 1.521 481 H HN 0.641 nan 8.280 nan 0.000 0.509 482 W N 4.126 125.138 121.300 -0.480 0.000 2.647 482 W HA 0.452 5.112 4.660 -0.000 0.000 0.328 482 W C -0.785 175.420 176.519 -0.523 0.000 1.018 482 W CA -0.507 56.573 57.345 -0.443 0.000 1.245 482 W CB 1.177 30.352 29.460 -0.475 0.000 1.356 482 W HN 0.311 nan 8.180 nan 0.000 0.443 483 I N 3.660 124.159 120.570 -0.118 0.000 2.474 483 I HA 0.541 4.711 4.170 -0.000 0.000 0.294 483 I C -0.346 175.854 176.117 0.138 0.000 1.005 483 I CA -1.155 60.069 61.300 -0.127 0.000 1.113 483 I CB 1.131 39.036 38.000 -0.158 0.000 1.289 483 I HN 0.359 nan 8.210 nan 0.000 0.436 484 R N 7.571 128.145 120.500 0.124 0.000 2.387 484 R HA 0.586 4.926 4.340 -0.000 0.000 0.314 484 R C -1.184 175.160 176.300 0.074 0.000 0.958 484 R CA -0.750 55.397 56.100 0.080 0.000 0.846 484 R CB 1.925 32.269 30.300 0.075 0.000 1.147 484 R HN 0.563 nan 8.270 nan 0.000 0.447 485 I N 2.372 122.972 120.570 0.050 0.000 2.412 485 I HA 0.363 4.533 4.170 -0.000 0.000 0.296 485 I C -0.082 176.058 176.117 0.038 0.000 0.987 485 I CA -0.419 60.914 61.300 0.056 0.000 1.180 485 I CB 1.565 39.601 38.000 0.059 0.000 1.340 485 I HN 0.319 nan 8.210 nan 0.000 0.455 486 K N 3.928 124.352 120.400 0.041 0.000 2.565 486 K HA 0.424 4.744 4.320 -0.000 0.000 0.251 486 K C 0.096 176.715 176.600 0.032 0.000 0.956 486 K CA -0.298 56.007 56.287 0.030 0.000 0.809 486 K CB 1.767 34.283 32.500 0.026 0.000 1.267 486 K HN 0.813 nan 8.250 nan 0.000 0.438 487 G N 3.929 112.746 108.800 0.028 0.000 2.283 487 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.280 487 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.280 487 G C 0.114 175.036 174.900 0.037 0.000 1.029 487 G CA 0.958 46.075 45.100 0.028 0.000 0.840 487 G HN 0.858 nan 8.290 nan 0.000 0.505 488 K N -2.569 117.859 120.400 0.047 0.000 3.341 488 K HA -0.197 4.123 4.320 -0.000 0.000 0.305 488 K C 0.726 177.367 176.600 0.068 0.000 1.270 488 K CA 1.872 58.198 56.287 0.064 0.000 0.897 488 K CB -0.620 31.917 32.500 0.062 0.000 1.264 488 K HN 0.534 nan 8.250 nan 0.000 0.468 489 K N 0.285 120.719 120.400 0.056 0.000 2.395 489 K HA 0.469 4.789 4.320 -0.000 0.000 0.245 489 K C 0.206 176.841 176.600 0.058 0.000 1.017 489 K CA -0.872 55.445 56.287 0.050 0.000 0.852 489 K CB 1.116 33.636 32.500 0.033 0.000 1.311 489 K HN -0.002 nan 8.250 nan 0.000 0.452 490 I N 1.824 122.427 120.570 0.056 0.000 2.505 490 I HA -0.077 4.093 4.170 -0.000 0.000 0.287 490 I C 1.086 177.246 176.117 0.071 0.000 1.104 490 I CA 0.388 61.741 61.300 0.088 0.000 1.387 490 I CB 0.383 38.439 38.000 0.093 0.000 1.404 490 I HN 0.608 nan 8.210 nan 0.000 0.528 491 D N 4.522 124.972 120.400 0.082 0.000 2.262 491 D HA -0.000 4.640 4.640 -0.000 0.000 0.212 491 D C 0.248 176.599 176.300 0.085 0.000 0.964 491 D CA 0.893 54.933 54.000 0.067 0.000 0.875 491 D CB 0.453 41.285 40.800 0.054 0.000 0.996 491 D HN 0.448 nan 8.370 nan 0.000 0.497 492 N N -0.912 117.859 118.700 0.119 0.000 2.367 492 N HA 0.275 5.015 4.740 -0.000 0.000 0.278 492 N C -2.151 173.481 175.510 0.203 0.000 1.117 492 N CA -0.569 52.565 53.050 0.141 0.000 0.867 492 N CB 1.090 39.648 38.487 0.118 0.000 1.649 492 N HN -0.062 nan 8.380 nan 0.000 0.479 493 F N 2.151 122.134 119.950 0.054 0.000 2.617 493 F HA 0.441 4.968 4.527 -0.000 0.000 0.325 493 F C -1.131 174.686 175.800 0.028 0.000 1.179 493 F CA -0.384 57.642 58.000 0.044 0.000 0.965 493 F CB 1.295 40.285 39.000 -0.016 0.000 1.232 493 F HN 0.247 nan 8.300 nan 0.000 0.461 494 Q N 5.682 125.541 119.800 0.099 0.000 2.353 494 Q HA 0.520 4.860 4.340 -0.000 0.000 0.268 494 Q C -1.533 174.537 176.000 0.117 0.000 1.045 494 Q CA -1.026 54.852 55.803 0.125 0.000 0.811 494 Q CB 3.115 31.863 28.738 0.017 0.000 1.305 494 Q HN 0.578 nan 8.270 nan 0.000 0.447 495 L N 1.659 122.890 121.223 0.015 0.000 2.295 495 L HA 0.509 4.849 4.340 -0.000 0.000 0.285 495 L C -0.426 176.471 176.870 0.045 0.000 1.035 495 L CA -0.598 54.156 54.840 -0.143 0.000 0.806 495 L CB 1.832 43.471 42.059 -0.699 0.000 1.214 495 L HN 0.282 nan 8.230 nan 0.000 0.426 496 V N 4.238 124.311 119.914 0.265 0.000 2.380 496 V HA 0.539 4.659 4.120 -0.000 0.000 0.286 496 V C -0.321 176.008 176.094 0.392 0.000 1.015 496 V CA -0.655 61.819 62.300 0.290 0.000 0.834 496 V CB 1.756 33.779 31.823 0.332 0.000 1.009 496 V HN 0.444 nan 8.190 nan 0.000 0.428 497 V N 6.836 126.955 119.914 0.341 0.000 2.667 497 V HA 0.399 4.519 4.120 -0.000 0.000 0.308 497 V C -1.467 174.873 176.094 0.411 0.000 1.048 497 V CA -1.757 60.772 62.300 0.382 0.000 0.928 497 V CB 2.181 34.242 31.823 0.397 0.000 1.004 497 V HN 0.547 nan 8.190 nan 0.000 0.444 498 P HA -0.134 nan 4.420 nan 0.000 0.215 498 P C 1.663 179.154 177.300 0.318 0.000 1.157 498 P CA 1.469 64.767 63.100 0.329 0.000 0.874 498 P CB 0.210 32.013 31.700 0.172 0.000 0.790 499 S N -1.135 114.719 115.700 0.256 0.000 2.419 499 S HA -0.101 4.368 4.470 -0.000 0.000 0.233 499 S C 1.800 176.508 174.600 0.179 0.000 1.016 499 S CA 1.674 59.998 58.200 0.208 0.000 0.974 499 S CB -1.215 62.103 63.200 0.196 0.000 0.786 499 S HN 0.325 nan 8.310 nan 0.000 0.492 500 T N 0.580 115.249 114.554 0.192 0.000 2.746 500 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 500 T C 1.333 176.035 174.700 0.004 0.000 1.039 500 T CA 1.176 63.322 62.100 0.078 0.000 1.142 500 T CB -0.413 68.477 68.868 0.036 0.000 0.866 500 T HN 0.545 nan 8.240 nan 0.000 0.444 501 W N 1.978 123.308 121.300 0.049 0.000 2.354 501 W HA -0.056 4.604 4.660 -0.000 0.000 0.315 501 W C 2.522 179.025 176.519 -0.027 0.000 1.206 501 W CA 0.602 57.950 57.345 0.006 0.000 1.290 501 W CB -0.432 29.027 29.460 -0.001 0.000 1.152 501 W HN 0.173 nan 8.180 nan 0.000 0.489 502 N N -0.420 118.411 118.700 0.219 0.000 2.207 502 N HA -0.027 4.713 4.740 -0.000 0.000 0.182 502 N C 1.293 176.697 175.510 -0.175 0.000 1.020 502 N CA 1.151 54.207 53.050 0.011 0.000 0.858 502 N CB -0.528 38.004 38.487 0.076 0.000 0.991 502 N HN 0.126 nan 8.380 nan 0.000 0.427 503 L N -0.121 121.062 121.223 -0.066 0.000 2.857 503 L HA 0.365 4.705 4.340 -0.000 0.000 0.249 503 L C 1.148 178.012 176.870 -0.009 0.000 1.172 503 L CA -0.297 54.498 54.840 -0.074 0.000 0.980 503 L CB 0.542 42.593 42.059 -0.012 0.000 1.299 503 L HN -0.059 nan 8.230 nan 0.000 0.535 504 G N 0.675 109.465 108.800 -0.017 0.000 2.684 504 G HA2 0.300 4.260 3.960 -0.000 0.000 0.255 504 G HA3 0.300 4.260 3.960 -0.000 0.000 0.255 504 G C -2.343 172.528 174.900 -0.049 0.000 1.219 504 G CA -0.559 44.521 45.100 -0.032 0.000 0.901 504 G HN -0.087 nan 8.290 nan 0.000 0.548 505 P HA 0.233 nan 4.420 nan 0.000 0.312 505 P C -0.173 177.066 177.300 -0.102 0.000 1.308 505 P CA -0.728 62.273 63.100 -0.165 0.000 0.743 505 P CB 0.915 32.220 31.700 -0.657 0.000 1.364 506 R N -0.963 119.468 120.500 -0.114 0.000 2.734 506 R HA 0.385 4.725 4.340 -0.000 0.000 0.266 506 R C 1.187 177.464 176.300 -0.039 0.000 1.044 506 R CA 0.267 56.246 56.100 -0.200 0.000 1.128 506 R CB -0.499 29.444 30.300 -0.596 0.000 1.010 506 R HN 0.564 nan 8.270 nan 0.000 0.461 507 G N -0.052 108.749 108.800 0.002 0.000 2.535 507 G HA2 0.310 4.270 3.960 -0.000 0.000 0.282 507 G HA3 0.310 4.270 3.960 -0.000 0.000 0.282 507 G C 0.590 175.619 174.900 0.215 0.000 1.350 507 G CA -0.042 45.113 45.100 0.091 0.000 1.039 507 G HN 0.646 nan 8.290 nan 0.000 0.509 508 A N -1.460 121.468 122.820 0.179 0.000 2.121 508 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 508 A C 1.996 179.677 177.584 0.161 0.000 1.154 508 A CA 1.188 53.318 52.037 0.156 0.000 0.679 508 A CB -0.110 18.946 19.000 0.093 0.000 0.795 508 A HN 0.380 nan 8.150 nan 0.000 0.458 509 Q N -1.222 118.664 119.800 0.144 0.000 2.320 509 Q HA 0.204 4.544 4.340 -0.000 0.000 0.201 509 Q C 1.122 177.187 176.000 0.109 0.000 0.910 509 Q CA 0.575 56.444 55.803 0.109 0.000 0.946 509 Q CB -0.056 28.727 28.738 0.075 0.000 1.062 509 Q HN 0.894 nan 8.270 nan 0.000 0.503 510 G N 2.339 111.236 108.800 0.161 0.000 2.143 510 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 510 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 510 G C -0.283 174.538 174.900 -0.131 0.000 0.991 510 G CA 0.368 45.459 45.100 -0.015 0.000 0.689 510 G HN 0.481 nan 8.290 nan 0.000 0.522 511 D N 0.552 120.911 120.400 -0.067 0.000 2.317 511 D HA 0.343 4.983 4.640 -0.000 0.000 0.252 511 D C 0.469 176.700 176.300 -0.114 0.000 1.174 511 D CA -0.289 53.666 54.000 -0.074 0.000 0.866 511 D CB 1.116 41.904 40.800 -0.021 0.000 1.127 511 D HN 0.285 nan 8.370 nan 0.000 0.467 512 K N 1.205 121.520 120.400 -0.142 0.000 2.469 512 K HA 0.064 4.384 4.320 -0.000 0.000 0.274 512 K C 0.887 177.424 176.600 -0.105 0.000 0.983 512 K CA -0.153 56.038 56.287 -0.160 0.000 0.974 512 K CB 0.529 32.917 32.500 -0.187 0.000 0.913 512 K HN 0.673 nan 8.250 nan 0.000 0.493 513 S N 2.509 118.149 115.700 -0.100 0.000 2.617 513 S HA 0.121 4.591 4.470 -0.000 0.000 0.259 513 S C -1.844 172.701 174.600 -0.092 0.000 1.301 513 S CA -1.237 56.916 58.200 -0.078 0.000 0.984 513 S CB 0.801 63.953 63.200 -0.079 0.000 0.954 513 S HN 0.335 nan 8.310 nan 0.000 0.572 514 P HA -0.121 nan 4.420 nan 0.000 0.214 514 P C 1.758 178.953 177.300 -0.174 0.000 1.163 514 P CA 0.816 63.873 63.100 -0.071 0.000 0.889 514 P CB -0.223 31.471 31.700 -0.010 0.000 0.790 515 V N 0.099 119.694 119.914 -0.531 0.000 2.343 515 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 515 V C 2.139 178.148 176.094 -0.142 0.000 1.051 515 V CA 2.030 64.005 62.300 -0.542 0.000 1.036 515 V CB -1.019 30.427 31.823 -0.628 0.000 0.654 515 V HN 0.091 nan 8.190 nan 0.000 0.451 516 E N -0.514 119.599 120.200 -0.145 0.000 2.070 516 E HA -0.315 4.035 4.350 -0.000 0.000 0.197 516 E C 2.184 178.715 176.600 -0.115 0.000 1.004 516 E CA 1.740 58.056 56.400 -0.139 0.000 0.805 516 E CB -0.164 29.426 29.700 -0.184 0.000 0.744 516 E HN 0.625 nan 8.360 nan 0.000 0.451 517 E N 0.670 120.820 120.200 -0.083 0.000 2.051 517 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 517 E C 1.853 178.465 176.600 0.020 0.000 0.991 517 E CA 1.376 57.749 56.400 -0.046 0.000 0.799 517 E CB -0.260 29.422 29.700 -0.031 0.000 0.748 517 E HN 0.254 nan 8.360 nan 0.000 0.449 518 A N 0.228 123.111 122.820 0.105 0.000 1.972 518 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 518 A C 2.258 179.932 177.584 0.150 0.000 1.169 518 A CA 1.317 53.476 52.037 0.203 0.000 0.635 518 A CB -0.676 18.601 19.000 0.462 0.000 0.810 518 A HN 0.340 nan 8.150 nan 0.000 0.446 519 L N 0.163 121.447 121.223 0.102 0.000 2.201 519 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 519 L C 0.112 176.999 176.870 0.027 0.000 1.105 519 L CA -0.124 54.762 54.840 0.077 0.000 0.775 519 L CB -0.402 41.685 42.059 0.047 0.000 0.913 519 L HN 0.251 nan 8.230 nan 0.000 0.440 520 I N 1.159 121.724 120.570 -0.009 0.000 2.668 520 I HA 0.025 4.194 4.170 -0.000 0.000 0.285 520 I C 1.438 177.547 176.117 -0.015 0.000 1.168 520 I CA 1.011 62.293 61.300 -0.031 0.000 1.424 520 I CB -0.486 37.480 38.000 -0.056 0.000 1.377 520 I HN 0.372 nan 8.210 nan 0.000 0.560 521 G N 4.396 113.186 108.800 -0.016 0.000 2.157 521 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.239 521 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.239 521 G C 0.439 175.315 174.900 -0.040 0.000 0.982 521 G CA 0.009 45.094 45.100 -0.025 0.000 0.650 521 G HN 0.590 nan 8.290 nan 0.000 0.527 522 T N 4.089 118.635 114.554 -0.014 0.000 2.817 522 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 522 T C -1.844 172.864 174.700 0.012 0.000 0.958 522 T CA -0.049 62.042 62.100 -0.015 0.000 1.157 522 T CB 1.749 70.660 68.868 0.073 0.000 0.898 522 T HN 0.298 nan 8.240 nan 0.000 0.536 523 P HA 0.355 nan 4.420 nan 0.000 0.284 523 P C -0.827 176.540 177.300 0.111 0.000 1.253 523 P CA -0.546 62.581 63.100 0.045 0.000 0.800 523 P CB 0.839 32.551 31.700 0.021 0.000 0.961 524 I N 2.536 123.177 120.570 0.120 0.000 2.437 524 I HA 0.192 4.362 4.170 -0.000 0.000 0.279 524 I C 1.410 177.596 176.117 0.115 0.000 1.028 524 I CA -0.743 60.629 61.300 0.120 0.000 1.142 524 I CB 0.845 38.904 38.000 0.098 0.000 1.266 524 I HN 0.382 nan 8.210 nan 0.000 0.461 525 A N 4.589 127.500 122.820 0.152 0.000 1.930 525 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 525 A C 0.702 178.302 177.584 0.027 0.000 1.175 525 A CA 1.392 53.508 52.037 0.132 0.000 0.627 525 A CB -0.051 19.087 19.000 0.230 0.000 0.815 525 A HN 0.671 nan 8.150 nan 0.000 0.443 526 D N -2.238 118.151 120.400 -0.017 0.000 2.386 526 D HA 0.277 4.917 4.640 -0.000 0.000 0.247 526 D C -2.248 173.944 176.300 -0.180 0.000 1.336 526 D CA -1.867 52.052 54.000 -0.135 0.000 0.976 526 D CB 1.575 42.205 40.800 -0.283 0.000 1.257 526 D HN -0.055 nan 8.370 nan 0.000 0.570 527 P HA -0.180 nan 4.420 nan 0.000 0.218 527 P C 1.226 178.287 177.300 -0.398 0.000 1.148 527 P CA 0.813 63.605 63.100 -0.513 0.000 0.822 527 P CB 0.588 31.593 31.700 -1.158 0.000 0.784 528 K N 0.654 120.875 120.400 -0.298 0.000 2.147 528 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 528 K C 0.940 177.367 176.600 -0.288 0.000 1.049 528 K CA 1.174 57.328 56.287 -0.221 0.000 0.936 528 K CB -0.089 32.321 32.500 -0.150 0.000 0.722 528 K HN 0.064 nan 8.250 nan 0.000 0.446 529 R N 0.591 120.867 120.500 -0.374 0.000 2.629 529 R HA 0.216 4.556 4.340 -0.000 0.000 0.277 529 R C -2.452 173.481 176.300 -0.612 0.000 1.637 529 R CA -1.420 54.212 56.100 -0.780 0.000 1.663 529 R CB 1.417 31.505 30.300 -0.352 0.000 1.228 529 R HN 0.058 nan 8.270 nan 0.000 0.632 530 P HA -0.004 nan 4.420 nan 0.000 0.225 530 P C 0.968 178.252 177.300 -0.028 0.000 1.813 530 P CA 0.013 63.019 63.100 -0.157 0.000 1.013 530 P CB 0.810 32.459 31.700 -0.086 0.000 1.961 531 V N 2.510 122.420 119.914 -0.006 0.000 2.469 531 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 531 V C 1.916 177.954 176.094 -0.093 0.000 1.064 531 V CA 2.170 64.495 62.300 0.042 0.000 1.066 531 V CB -0.640 31.110 31.823 -0.122 0.000 0.667 531 V HN 0.193 nan 8.190 nan 0.000 0.461 532 E N 0.295 120.495 120.200 0.000 0.000 2.118 532 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 532 E C 1.956 178.669 176.600 0.187 0.000 0.992 532 E CA 1.926 58.426 56.400 0.166 0.000 0.804 532 E CB -0.354 29.577 29.700 0.386 0.000 0.741 532 E HN 0.686 nan 8.360 nan 0.000 0.458 533 I N 0.436 121.077 120.570 0.118 0.000 2.226 533 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 533 I C 2.110 178.240 176.117 0.022 0.000 1.100 533 I CA 1.046 62.406 61.300 0.100 0.000 1.374 533 I CB -0.210 37.842 38.000 0.086 0.000 1.057 533 I HN 0.120 nan 8.210 nan 0.000 0.413 534 L N -0.066 121.126 121.223 -0.053 0.000 2.083 534 L HA -0.197 4.142 4.340 -0.000 0.000 0.209 534 L C 2.755 179.493 176.870 -0.220 0.000 1.083 534 L CA 1.296 55.992 54.840 -0.240 0.000 0.752 534 L CB -0.600 41.380 42.059 -0.132 0.000 0.899 534 L HN 0.181 nan 8.230 nan 0.000 0.433 535 R N -0.615 119.742 120.500 -0.238 0.000 2.083 535 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 535 R C 2.329 178.682 176.300 0.088 0.000 1.137 535 R CA 2.121 58.020 56.100 -0.335 0.000 0.951 535 R CB -0.551 29.046 30.300 -1.173 0.000 0.851 535 R HN 0.317 nan 8.270 nan 0.000 0.434 536 T N 0.373 115.036 114.554 0.182 0.000 2.732 536 T HA -0.073 4.277 4.350 -0.000 0.000 0.261 536 T C 1.980 176.876 174.700 0.328 0.000 1.040 536 T CA 1.274 63.571 62.100 0.329 0.000 1.145 536 T CB -0.160 68.939 68.868 0.385 0.000 0.866 536 T HN -0.026 nan 8.240 nan 0.000 0.427 537 V N 1.326 121.368 119.914 0.213 0.000 2.252 537 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 537 V C 2.184 178.410 176.094 0.221 0.000 1.056 537 V CA 1.961 64.379 62.300 0.196 0.000 1.022 537 V CB -0.822 31.012 31.823 0.019 0.000 0.641 537 V HN 0.660 nan 8.190 nan 0.000 0.445 538 H N -0.283 118.860 119.070 0.121 0.000 2.421 538 H HA -0.082 4.474 4.556 0.000 0.000 0.298 538 H C 2.279 177.526 175.328 -0.135 0.000 1.087 538 H CA 1.043 57.083 56.048 -0.013 0.000 1.330 538 H CB -0.145 29.522 29.762 -0.158 0.000 1.388 538 H HN 0.478 nan 8.280 nan 0.000 0.526 539 A N 0.679 123.507 122.820 0.014 0.000 1.978 539 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 539 A C 1.691 179.230 177.584 -0.076 0.000 1.170 539 A CA 1.253 53.296 52.037 0.010 0.000 0.636 539 A CB -0.787 18.301 19.000 0.147 0.000 0.810 539 A HN 0.340 nan 8.150 nan 0.000 0.448 540 F N -0.473 119.522 119.950 0.075 0.000 2.604 540 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 540 F C 0.849 176.638 175.800 -0.020 0.000 1.131 540 F CA 0.901 58.932 58.000 0.051 0.000 1.457 540 F CB -0.186 38.866 39.000 0.086 0.000 1.095 540 F HN 0.328 nan 8.300 nan 0.000 0.574 541 D N -0.082 120.365 120.400 0.078 0.000 2.828 541 D HA -0.146 4.494 4.640 -0.000 0.000 0.241 541 D C -2.636 173.722 176.300 0.098 0.000 1.142 541 D CA -0.152 53.773 54.000 -0.126 0.000 0.755 541 D CB -0.535 39.941 40.800 -0.541 0.000 1.014 541 D HN 0.087 nan 8.370 nan 0.000 0.420 542 P HA 0.198 nan 4.420 nan 0.000 0.271 542 P C -0.267 177.133 177.300 0.166 0.000 1.218 542 P CA -0.585 62.625 63.100 0.183 0.000 0.780 542 P CB 1.279 33.090 31.700 0.185 0.000 0.901 543 C N 5.373 124.770 119.300 0.161 0.000 2.660 543 C HA 0.312 4.771 4.460 -0.000 0.000 0.336 543 C C 1.283 176.373 174.990 0.166 0.000 1.058 543 C CA -0.457 58.656 59.018 0.158 0.000 1.368 543 C CB -1.027 26.814 27.740 0.170 0.000 1.884 543 C HN 0.464 nan 8.230 nan 0.000 0.454 544 I N 3.633 124.291 120.570 0.145 0.000 2.716 544 I HA 0.035 4.205 4.170 -0.000 0.000 0.259 544 I C 2.530 178.744 176.117 0.162 0.000 1.172 544 I CA 1.528 62.926 61.300 0.164 0.000 1.478 544 I CB -1.542 36.562 38.000 0.172 0.000 1.104 544 I HN 0.760 nan 8.210 nan 0.000 0.439 545 A N 0.267 123.168 122.820 0.135 0.000 1.877 545 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 545 A C 2.618 180.296 177.584 0.157 0.000 1.186 545 A CA 1.896 54.005 52.037 0.120 0.000 0.620 545 A CB -1.222 17.838 19.000 0.101 0.000 0.822 545 A HN 0.463 nan 8.150 nan 0.000 0.443 546 C N -1.140 118.285 119.300 0.209 0.000 2.436 546 C HA -0.012 4.448 4.460 -0.000 0.000 0.277 546 C C 3.055 178.270 174.990 0.374 0.000 1.241 546 C CA 0.910 60.108 59.018 0.300 0.000 1.721 546 C CB -1.566 26.376 27.740 0.338 0.000 2.043 546 C HN 0.705 nan 8.230 nan 0.000 0.472 547 G N -0.544 108.425 108.800 0.281 0.000 2.440 547 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 547 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 547 G C 1.580 176.586 174.900 0.176 0.000 1.154 547 G CA 1.584 46.836 45.100 0.253 0.000 0.767 547 G HN 0.439 nan 8.290 nan 0.000 0.552 548 V N 1.145 121.109 119.914 0.083 0.000 2.672 548 V HA 0.141 4.261 4.120 -0.000 0.000 0.242 548 V C 1.113 176.843 176.094 -0.607 0.000 1.059 548 V CA 0.749 62.985 62.300 -0.108 0.000 1.081 548 V CB -0.660 31.248 31.823 0.142 0.000 0.752 548 V HN 0.779 nan 8.190 nan 0.000 0.472 549 H N 0.000 119.076 119.070 0.010 0.000 2.539 549 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 549 H CA 0.000 55.983 56.048 -0.109 0.000 1.023 549 H CB 0.000 29.706 29.762 -0.094 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496