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 3a51_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALTTTGTEQH DLFSGTFWQN PHPAYAALRA EDPVRKLALP DGPVWLLTRY DATA SEQUENCE ADVREAFVDP RLSKDWRHRL PEDQRADMPA TPTPMMILMD PPDHTRLRKL DATA SEQUENCE VGRSFTVRRM NELEPRITEI ADGLLAGLPT DGPVDLMREY AFQIPVQVIC DATA SEQUENCE ELLGLPAEDR DDFSAWSSVL VDDSPADDKN AAMGKLHGYL SDLLERKRTE DATA SEQUENCE PDDALLSSLL AVSDMDGDRL SQEELVAMAM LLLIAGHETT VNLIGNGVLA DATA SEQUENCE LLTHPDQRKL LAEDPSLISS AVEEFLRFDS PVSQAPIRFT AEDVTYSGVT DATA SEQUENCE IPAGEMVMLG LAAANRDADW MPEPDRLDIT RDASGGVFFG HGIHFCLGAQ DATA SEQUENCE LARLEGRVAI GRLFADRPEL ALAVGLDELV YRRSTLVRGL SRMPVTMGPR DATA SEQUENCE SA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.561 177.584 -0.038 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 L N 1.864 123.055 121.223 -0.053 0.000 2.375 3 L HA 0.659 4.997 4.340 -0.002 0.000 0.271 3 L C 0.610 177.433 176.870 -0.078 0.000 1.107 3 L CA 0.298 55.097 54.840 -0.068 0.000 0.806 3 L CB 1.659 43.671 42.059 -0.078 0.000 1.146 3 L HN 0.469 nan 8.230 nan 0.000 0.447 4 T N -2.542 111.973 114.554 -0.065 0.000 2.883 4 T HA 0.420 4.769 4.350 -0.002 0.000 0.301 4 T C -0.240 174.437 174.700 -0.038 0.000 1.158 4 T CA -0.892 61.175 62.100 -0.055 0.000 1.007 4 T CB 1.587 70.424 68.868 -0.052 0.000 1.186 4 T HN 0.606 nan 8.240 nan 0.000 0.499 5 T N 0.526 115.074 114.554 -0.010 0.000 2.926 5 T HA 0.458 4.807 4.350 -0.002 0.000 0.307 5 T C 0.836 175.533 174.700 -0.005 0.000 1.059 5 T CA -0.205 61.904 62.100 0.016 0.000 1.122 5 T CB 0.161 69.081 68.868 0.086 0.000 0.972 5 T HN 1.097 nan 8.240 nan 0.000 0.545 6 T N -0.524 114.033 114.554 0.004 0.000 2.874 6 T HA 0.666 5.015 4.350 -0.002 0.000 0.281 6 T C 0.782 175.487 174.700 0.008 0.000 0.994 6 T CA 0.019 62.118 62.100 -0.002 0.000 1.015 6 T CB 0.590 69.459 68.868 0.001 0.000 1.028 6 T HN 2.043 nan 8.240 nan 0.000 0.523 7 G N 0.746 109.546 108.800 0.001 0.000 2.592 7 G HA2 -0.044 3.915 3.960 -0.002 0.000 0.684 7 G HA3 -0.044 3.915 3.960 -0.002 0.000 0.684 7 G C 0.641 175.532 174.900 -0.016 0.000 1.291 7 G CA 0.475 45.577 45.100 0.003 0.000 0.891 7 G HN 1.579 nan 8.290 nan 0.000 0.544 8 T N -1.918 112.627 114.554 -0.015 0.000 2.684 8 T HA 0.009 4.358 4.350 -0.002 0.000 0.267 8 T C 0.918 175.579 174.700 -0.064 0.000 1.036 8 T CA 2.023 64.106 62.100 -0.029 0.000 1.148 8 T CB -0.072 68.785 68.868 -0.017 0.000 0.863 8 T HN 0.590 nan 8.240 nan 0.000 0.436 9 E N 1.703 121.852 120.200 -0.084 0.000 2.115 9 E HA 0.274 4.623 4.350 -0.002 0.000 0.282 9 E C -0.874 175.542 176.600 -0.307 0.000 0.987 9 E CA -0.238 56.038 56.400 -0.207 0.000 0.797 9 E CB 1.231 30.803 29.700 -0.213 0.000 1.086 9 E HN 0.305 nan 8.360 nan 0.000 0.397 10 Q N 2.973 122.583 119.800 -0.317 0.000 2.673 10 Q HA 0.103 4.441 4.340 -0.002 0.000 0.224 10 Q C -1.020 174.823 176.000 -0.262 0.000 1.226 10 Q CA -0.259 55.413 55.803 -0.218 0.000 1.019 10 Q CB 0.065 28.725 28.738 -0.130 0.000 1.312 10 Q HN 0.365 nan 8.270 nan 0.000 0.566 11 H N 1.393 120.436 119.070 -0.044 0.000 2.580 11 H HA 0.107 4.662 4.556 -0.002 0.000 0.322 11 H C -0.350 174.929 175.328 -0.082 0.000 1.082 11 H CA -0.509 55.503 56.048 -0.060 0.000 1.383 11 H CB 0.797 30.521 29.762 -0.063 0.000 1.450 11 H HN 0.468 nan 8.280 nan 0.000 0.505 12 D N 2.897 123.310 120.400 0.023 0.000 2.571 12 D HA -0.032 4.606 4.640 -0.002 0.000 0.231 12 D C 0.273 176.477 176.300 -0.160 0.000 1.133 12 D CA 0.603 54.563 54.000 -0.067 0.000 0.862 12 D CB 0.784 41.542 40.800 -0.071 0.000 1.179 12 D HN 0.326 nan 8.370 nan 0.000 0.474 13 L N 2.941 123.986 121.223 -0.296 0.000 2.349 13 L HA 0.252 4.591 4.340 -0.002 0.000 0.278 13 L C -0.006 176.418 176.870 -0.743 0.000 0.996 13 L CA -0.857 53.591 54.840 -0.653 0.000 0.825 13 L CB 0.834 42.697 42.059 -0.326 0.000 1.243 13 L HN 0.416 nan 8.230 nan 0.000 0.412 14 F N 1.085 120.066 119.950 -1.615 0.000 3.093 14 F HA -0.305 4.221 4.527 -0.003 0.000 0.287 14 F C 0.591 175.996 175.800 -0.658 0.000 0.882 14 F CA 1.015 58.248 58.000 -1.279 0.000 1.063 14 F CB -1.822 36.772 39.000 -0.677 0.000 1.097 14 F HN 0.636 nan 8.300 nan 0.000 0.604 15 S N -2.700 112.646 115.700 -0.590 0.000 2.636 15 S HA 0.745 5.214 4.470 -0.002 0.000 0.266 15 S C 0.465 174.962 174.600 -0.171 0.000 1.147 15 S CA -0.227 57.894 58.200 -0.131 0.000 0.815 15 S CB 1.381 64.582 63.200 0.002 0.000 1.119 15 S HN 1.656 nan 8.310 nan 0.000 0.470 16 G N 1.811 110.647 108.800 0.060 0.000 2.684 16 G HA2 -0.420 3.538 3.960 -0.002 0.000 0.332 16 G HA3 -0.420 3.538 3.960 -0.002 0.000 0.332 16 G C 1.253 176.177 174.900 0.040 0.000 1.306 16 G CA 2.427 47.566 45.100 0.065 0.000 1.002 16 G HN 2.368 nan 8.290 nan 0.000 0.545 17 T N -1.601 112.951 114.554 -0.005 0.000 2.977 17 T HA 0.000 4.349 4.350 -0.002 0.000 0.271 17 T C 2.093 176.721 174.700 -0.119 0.000 1.105 17 T CA 1.973 64.058 62.100 -0.025 0.000 1.116 17 T CB -0.220 68.637 68.868 -0.017 0.000 0.878 17 T HN 0.796 nan 8.240 nan 0.000 0.509 18 F N 0.678 120.376 119.950 -0.421 0.000 2.161 18 F HA -0.002 4.523 4.527 -0.003 0.000 0.300 18 F C 1.835 177.297 175.800 -0.563 0.000 1.089 18 F CA 1.130 58.737 58.000 -0.655 0.000 1.282 18 F CB -0.406 37.999 39.000 -0.992 0.000 1.010 18 F HN 0.201 nan 8.300 nan 0.000 0.485 19 W N 0.031 121.289 121.300 -0.070 0.000 2.381 19 W HA -0.162 4.498 4.660 0.001 0.000 0.301 19 W C 2.584 178.939 176.519 -0.273 0.000 1.205 19 W CA 0.770 58.047 57.345 -0.115 0.000 1.285 19 W CB -0.719 28.783 29.460 0.071 0.000 1.133 19 W HN 0.043 nan 8.180 nan 0.000 0.521 20 Q N 0.634 120.449 119.800 0.024 0.000 2.079 20 Q HA -0.146 4.192 4.340 -0.002 0.000 0.200 20 Q C 0.172 175.983 176.000 -0.315 0.000 0.974 20 Q CA 1.324 57.107 55.803 -0.033 0.000 0.840 20 Q CB -0.096 28.674 28.738 0.053 0.000 0.898 20 Q HN 0.018 nan 8.270 nan 0.000 0.430 21 N N -1.229 117.243 118.700 -0.381 0.000 2.699 21 N HA 0.153 4.891 4.740 -0.002 0.000 0.271 21 N C -2.691 172.425 175.510 -0.657 0.000 1.216 21 N CA -1.272 51.522 53.050 -0.426 0.000 0.844 21 N CB 1.679 40.037 38.487 -0.216 0.000 1.462 21 N HN -0.089 nan 8.380 nan 0.000 0.555 22 P HA 0.054 nan 4.420 nan 0.000 0.251 22 P C 0.671 177.212 177.300 -1.266 0.000 1.223 22 P CA 0.547 62.625 63.100 -1.704 0.000 0.796 22 P CB 0.315 30.445 31.700 -2.618 0.000 1.068 23 H N 0.912 119.600 119.070 -0.636 0.000 2.353 23 H HA 0.010 4.565 4.556 -0.002 0.000 0.300 23 H C -0.555 174.609 175.328 -0.272 0.000 1.090 23 H CA 1.693 57.549 56.048 -0.320 0.000 1.327 23 H CB -2.005 27.623 29.762 -0.222 0.000 1.383 23 H HN 0.267 nan 8.280 nan 0.000 0.508 24 P HA -0.096 nan 4.420 nan 0.000 0.215 24 P C 1.658 178.653 177.300 -0.508 0.000 1.153 24 P CA 1.727 64.594 63.100 -0.389 0.000 0.853 24 P CB -0.141 31.222 31.700 -0.561 0.000 0.788 25 A N -1.083 121.399 122.820 -0.564 0.000 1.883 25 A HA -0.255 4.063 4.320 -0.002 0.000 0.217 25 A C 2.098 179.649 177.584 -0.055 0.000 1.186 25 A CA 1.685 53.557 52.037 -0.275 0.000 0.624 25 A CB -2.038 16.857 19.000 -0.175 0.000 0.822 25 A HN 0.104 nan 8.150 nan 0.000 0.444 26 Y N -0.168 120.078 120.300 -0.090 0.000 2.207 26 Y HA -0.099 4.450 4.550 -0.002 0.000 0.287 26 Y C 2.915 178.814 175.900 -0.001 0.000 1.156 26 Y CA 0.333 58.414 58.100 -0.032 0.000 1.182 26 Y CB -1.070 37.351 38.460 -0.065 0.000 0.979 26 Y HN 0.350 nan 8.280 nan 0.000 0.521 27 A N -0.245 122.656 122.820 0.135 0.000 1.897 27 A HA 0.002 4.321 4.320 -0.002 0.000 0.215 27 A C 2.508 180.148 177.584 0.093 0.000 1.181 27 A CA 1.553 53.649 52.037 0.099 0.000 0.620 27 A CB -1.091 17.941 19.000 0.052 0.000 0.821 27 A HN 0.348 nan 8.150 nan 0.000 0.443 28 A N -0.005 122.868 122.820 0.089 0.000 1.902 28 A HA -0.042 4.277 4.320 -0.002 0.000 0.217 28 A C 2.160 179.810 177.584 0.110 0.000 1.181 28 A CA 1.458 53.568 52.037 0.121 0.000 0.623 28 A CB -0.644 18.483 19.000 0.212 0.000 0.818 28 A HN 0.468 nan 8.150 nan 0.000 0.443 29 L N -1.031 120.264 121.223 0.121 0.000 2.012 29 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 29 L C 2.876 179.808 176.870 0.103 0.000 1.073 29 L CA 1.741 56.650 54.840 0.115 0.000 0.748 29 L CB -0.561 41.587 42.059 0.148 0.000 0.891 29 L HN 0.370 nan 8.230 nan 0.000 0.431 30 R N -0.276 120.288 120.500 0.107 0.000 2.115 30 R HA -0.098 4.241 4.340 -0.002 0.000 0.230 30 R C 2.310 178.661 176.300 0.085 0.000 1.111 30 R CA 1.233 57.389 56.100 0.094 0.000 0.976 30 R CB -0.318 30.041 30.300 0.098 0.000 0.870 30 R HN 0.377 nan 8.270 nan 0.000 0.445 31 A N 0.749 123.618 122.820 0.082 0.000 1.935 31 A HA -0.047 4.272 4.320 -0.002 0.000 0.214 31 A C 1.638 179.261 177.584 0.065 0.000 1.178 31 A CA 0.815 52.895 52.037 0.071 0.000 0.640 31 A CB 0.209 19.250 19.000 0.068 0.000 0.825 31 A HN 0.102 nan 8.150 nan 0.000 0.447 32 E N -1.216 119.024 120.200 0.067 0.000 2.399 32 E HA 0.089 4.438 4.350 -0.002 0.000 0.205 32 E C -0.613 176.022 176.600 0.059 0.000 0.906 32 E CA 0.336 56.771 56.400 0.058 0.000 0.998 32 E CB 0.526 30.258 29.700 0.053 0.000 1.002 32 E HN 0.379 nan 8.360 nan 0.000 0.501 33 D N 0.226 120.667 120.400 0.069 0.000 2.978 33 D HA 0.111 4.750 4.640 -0.002 0.000 0.268 33 D C -2.165 174.187 176.300 0.086 0.000 1.252 33 D CA -1.310 52.733 54.000 0.072 0.000 0.771 33 D CB 1.064 41.898 40.800 0.058 0.000 1.361 33 D HN -0.153 nan 8.370 nan 0.000 0.558 34 P HA 0.010 nan 4.420 nan 0.000 0.237 34 P C 0.128 177.485 177.300 0.095 0.000 1.178 34 P CA 0.322 63.474 63.100 0.088 0.000 0.766 34 P CB 0.680 32.430 31.700 0.083 0.000 0.876 35 V N 0.961 120.953 119.914 0.130 0.000 2.443 35 V HA 0.320 4.438 4.120 -0.002 0.000 0.272 35 V C -0.155 176.104 176.094 0.274 0.000 1.002 35 V CA -0.673 61.744 62.300 0.194 0.000 0.840 35 V CB 1.379 33.317 31.823 0.191 0.000 1.042 35 V HN -0.041 nan 8.190 nan 0.000 0.446 36 R N 3.236 123.854 120.500 0.197 0.000 2.494 36 R HA 0.527 4.866 4.340 -0.002 0.000 0.305 36 R C -0.553 175.655 176.300 -0.153 0.000 0.959 36 R CA -0.551 55.574 56.100 0.042 0.000 0.864 36 R CB 1.378 31.692 30.300 0.023 0.000 1.159 36 R HN 0.511 nan 8.270 nan 0.000 0.446 37 K N 5.120 125.171 120.400 -0.581 0.000 2.285 37 K HA 0.253 4.571 4.320 -0.002 0.000 0.286 37 K C -0.867 175.419 176.600 -0.523 0.000 1.072 37 K CA -0.317 55.342 56.287 -1.048 0.000 0.913 37 K CB 0.430 31.953 32.500 -1.628 0.000 1.067 37 K HN 0.591 nan 8.250 nan 0.000 0.479 38 L N 3.767 124.747 121.223 -0.405 0.000 2.264 38 L HA 0.337 4.676 4.340 -0.002 0.000 0.289 38 L C 0.310 177.030 176.870 -0.250 0.000 1.044 38 L CA -0.671 54.011 54.840 -0.263 0.000 0.807 38 L CB 1.642 43.562 42.059 -0.232 0.000 1.192 38 L HN 0.684 nan 8.230 nan 0.000 0.425 39 A N 6.150 128.855 122.820 -0.191 0.000 3.056 39 A HA 0.422 4.741 4.320 -0.002 0.000 0.274 39 A C 0.152 177.665 177.584 -0.117 0.000 1.661 39 A CA -0.376 51.572 52.037 -0.148 0.000 1.363 39 A CB -0.715 18.214 19.000 -0.119 0.000 1.139 39 A HN 0.638 nan 8.150 nan 0.000 0.598 40 L N 1.304 122.446 121.223 -0.135 0.000 2.417 40 L HA 0.185 4.523 4.340 -0.002 0.000 0.268 40 L C -1.192 175.640 176.870 -0.063 0.000 1.158 40 L CA -1.704 53.069 54.840 -0.112 0.000 0.819 40 L CB 0.764 42.724 42.059 -0.165 0.000 1.112 40 L HN 0.329 nan 8.230 nan 0.000 0.458 41 P HA -0.141 nan 4.420 nan 0.000 0.220 41 P C 0.342 177.636 177.300 -0.008 0.000 1.144 41 P CA 1.077 64.169 63.100 -0.012 0.000 0.800 41 P CB 0.176 31.881 31.700 0.009 0.000 0.772 42 D N -1.261 119.132 120.400 -0.012 0.000 2.328 42 D HA 0.313 4.951 4.640 -0.002 0.000 0.221 42 D C 0.930 177.230 176.300 0.000 0.000 1.072 42 D CA 0.574 54.575 54.000 0.001 0.000 0.850 42 D CB 0.092 40.898 40.800 0.010 0.000 0.922 42 D HN 0.090 nan 8.370 nan 0.000 0.516 43 G N 1.358 110.146 108.800 -0.019 0.000 2.528 43 G HA2 -0.033 3.926 3.960 -0.002 0.000 0.681 43 G HA3 -0.033 3.926 3.960 -0.002 0.000 0.681 43 G C -3.019 171.851 174.900 -0.050 0.000 1.340 43 G CA -1.199 43.891 45.100 -0.017 0.000 0.855 43 G HN -0.174 nan 8.290 nan 0.000 0.649 44 P HA 0.501 nan 4.420 nan 0.000 0.271 44 P C -0.436 176.796 177.300 -0.113 0.000 1.216 44 P CA -0.250 62.773 63.100 -0.128 0.000 0.776 44 P CB 1.932 33.544 31.700 -0.148 0.000 0.881 45 V N 4.203 124.002 119.914 -0.192 0.000 2.760 45 V HA 0.476 4.595 4.120 -0.002 0.000 0.309 45 V C -1.484 174.504 176.094 -0.176 0.000 1.077 45 V CA -0.774 61.455 62.300 -0.119 0.000 0.910 45 V CB 1.444 33.184 31.823 -0.138 0.000 1.008 45 V HN 0.430 nan 8.190 nan 0.000 0.424 46 W N 5.824 127.055 121.300 -0.114 0.000 2.316 46 W HA 0.663 5.321 4.660 -0.002 0.000 0.321 46 W C -0.344 176.107 176.519 -0.112 0.000 1.203 46 W CA -0.344 56.944 57.345 -0.096 0.000 1.214 46 W CB 1.395 30.801 29.460 -0.090 0.000 1.169 46 W HN 0.473 nan 8.180 nan 0.000 0.561 47 L N 4.330 125.631 121.223 0.130 0.000 2.356 47 L HA 0.575 4.913 4.340 -0.002 0.000 0.277 47 L C -1.410 175.494 176.870 0.057 0.000 0.996 47 L CA -0.831 54.049 54.840 0.067 0.000 0.822 47 L CB 0.829 42.947 42.059 0.098 0.000 1.256 47 L HN 0.194 nan 8.230 nan 0.000 0.413 48 L N 4.205 125.408 121.223 -0.033 0.000 2.295 48 L HA 0.596 4.935 4.340 -0.002 0.000 0.285 48 L C 1.146 177.971 176.870 -0.074 0.000 1.035 48 L CA 0.239 55.034 54.840 -0.075 0.000 0.806 48 L CB 1.657 43.586 42.059 -0.218 0.000 1.214 48 L HN 0.833 nan 8.230 nan 0.000 0.426 49 T N -1.618 112.919 114.554 -0.029 0.000 2.958 49 T HA 0.272 4.620 4.350 -0.002 0.000 0.256 49 T C 0.790 175.490 174.700 0.001 0.000 0.983 49 T CA -0.343 61.740 62.100 -0.029 0.000 0.924 49 T CB 0.136 69.018 68.868 0.023 0.000 1.136 49 T HN 0.318 nan 8.240 nan 0.000 0.506 50 R N 0.699 121.212 120.500 0.022 0.000 2.390 50 R HA 0.329 4.668 4.340 -0.002 0.000 0.291 50 R C 0.580 176.915 176.300 0.058 0.000 1.070 50 R CA -0.505 55.639 56.100 0.072 0.000 1.014 50 R CB 0.665 31.020 30.300 0.091 0.000 1.007 50 R HN 0.182 nan 8.270 nan 0.000 0.466 51 Y N 3.047 123.340 120.300 -0.011 0.000 2.114 51 Y HA -0.351 4.198 4.550 -0.002 0.000 0.282 51 Y C 2.133 177.993 175.900 -0.067 0.000 1.165 51 Y CA 2.379 60.437 58.100 -0.071 0.000 1.148 51 Y CB -0.148 38.282 38.460 -0.050 0.000 0.972 51 Y HN 0.789 nan 8.280 nan 0.000 0.504 52 A N 0.114 123.023 122.820 0.148 0.000 1.877 52 A HA -0.210 4.109 4.320 -0.002 0.000 0.216 52 A C 1.923 179.511 177.584 0.007 0.000 1.186 52 A CA 2.054 54.138 52.037 0.079 0.000 0.620 52 A CB -0.925 18.167 19.000 0.154 0.000 0.822 52 A HN 0.566 nan 8.150 nan 0.000 0.443 53 D N -0.365 120.056 120.400 0.035 0.000 2.117 53 D HA -0.104 4.534 4.640 -0.002 0.000 0.197 53 D C 2.042 178.256 176.300 -0.143 0.000 0.987 53 D CA 1.422 55.451 54.000 0.047 0.000 0.829 53 D CB -0.478 40.337 40.800 0.024 0.000 0.961 53 D HN 0.209 nan 8.370 nan 0.000 0.460 54 V N 0.580 120.361 119.914 -0.221 0.000 2.358 54 V HA -0.207 3.911 4.120 -0.002 0.000 0.246 54 V C 2.522 178.484 176.094 -0.220 0.000 1.047 54 V CA 1.636 63.748 62.300 -0.313 0.000 1.035 54 V CB -0.382 31.273 31.823 -0.278 0.000 0.658 54 V HN 0.094 nan 8.190 nan 0.000 0.452 55 R N 0.214 120.563 120.500 -0.250 0.000 2.096 55 R HA -0.212 4.126 4.340 -0.002 0.000 0.235 55 R C 2.331 178.684 176.300 0.088 0.000 1.127 55 R CA 2.066 58.078 56.100 -0.146 0.000 0.968 55 R CB -0.278 29.712 30.300 -0.516 0.000 0.861 55 R HN 0.687 nan 8.270 nan 0.000 0.440 56 E N -0.293 119.934 120.200 0.045 0.000 2.072 56 E HA -0.151 4.197 4.350 -0.002 0.000 0.190 56 E C 1.763 178.450 176.600 0.146 0.000 0.982 56 E CA 1.004 57.484 56.400 0.134 0.000 0.803 56 E CB -0.130 29.681 29.700 0.186 0.000 0.755 56 E HN 0.460 nan 8.360 nan 0.000 0.453 57 A N 0.450 123.281 122.820 0.019 0.000 1.972 57 A HA -0.145 4.173 4.320 -0.002 0.000 0.219 57 A C 1.919 179.442 177.584 -0.101 0.000 1.169 57 A CA 1.034 52.990 52.037 -0.135 0.000 0.635 57 A CB -0.957 17.742 19.000 -0.501 0.000 0.810 57 A HN 0.422 nan 8.150 nan 0.000 0.446 58 F N -0.307 119.636 119.950 -0.013 0.000 2.269 58 F HA -0.143 4.382 4.527 -0.002 0.000 0.301 58 F C 1.918 177.722 175.800 0.006 0.000 1.082 58 F CA 1.506 59.514 58.000 0.013 0.000 1.360 58 F CB 0.292 39.340 39.000 0.081 0.000 1.041 58 F HN 0.203 nan 8.300 nan 0.000 0.512 59 V N -4.027 116.002 119.914 0.192 0.000 3.276 59 V HA 0.215 4.334 4.120 -0.002 0.000 0.319 59 V C -0.225 175.911 176.094 0.070 0.000 1.427 59 V CA -0.404 61.949 62.300 0.088 0.000 1.102 59 V CB -0.213 31.632 31.823 0.037 0.000 1.020 59 V HN -0.053 nan 8.190 nan 0.000 0.456 60 D N 3.278 123.725 120.400 0.079 0.000 2.352 60 D HA 0.308 4.947 4.640 -0.002 0.000 0.245 60 D C -1.090 175.235 176.300 0.041 0.000 1.224 60 D CA -2.106 51.934 54.000 0.067 0.000 0.879 60 D CB 2.015 42.886 40.800 0.119 0.000 1.057 60 D HN 0.229 nan 8.370 nan 0.000 0.491 61 P HA -0.087 nan 4.420 nan 0.000 0.225 61 P C 0.899 178.202 177.300 0.005 0.000 1.148 61 P CA 0.567 63.682 63.100 0.024 0.000 0.779 61 P CB 0.354 32.066 31.700 0.020 0.000 0.780 62 R N -0.621 119.874 120.500 -0.009 0.000 2.235 62 R HA 0.101 4.440 4.340 -0.002 0.000 0.213 62 R C 0.939 177.202 176.300 -0.061 0.000 1.059 62 R CA 0.346 56.418 56.100 -0.046 0.000 0.997 62 R CB -0.410 29.867 30.300 -0.038 0.000 0.884 62 R HN 0.251 nan 8.270 nan 0.000 0.462 63 L N 1.739 122.947 121.223 -0.024 0.000 2.288 63 L HA 0.180 4.519 4.340 -0.002 0.000 0.283 63 L C 0.098 176.977 176.870 0.015 0.000 1.072 63 L CA -0.403 54.418 54.840 -0.032 0.000 0.862 63 L CB 1.252 43.272 42.059 -0.065 0.000 1.245 63 L HN 0.007 nan 8.230 nan 0.000 0.432 64 S N 2.045 117.781 115.700 0.060 0.000 2.687 64 S HA 0.349 4.818 4.470 -0.002 0.000 0.283 64 S C 0.941 175.715 174.600 0.290 0.000 1.170 64 S CA -0.700 57.599 58.200 0.164 0.000 1.008 64 S CB 1.278 64.587 63.200 0.181 0.000 1.026 64 S HN 0.465 nan 8.310 nan 0.000 0.541 65 K N 1.207 121.766 120.400 0.264 0.000 2.393 65 K HA 0.139 4.457 4.320 -0.002 0.000 0.193 65 K C -0.232 176.563 176.600 0.324 0.000 1.026 65 K CA 0.132 56.587 56.287 0.279 0.000 1.064 65 K CB -0.343 32.217 32.500 0.100 0.000 0.833 65 K HN 0.583 nan 8.250 nan 0.000 0.521 66 D N 1.295 121.863 120.400 0.279 0.000 2.352 66 D HA -0.044 4.595 4.640 -0.002 0.000 0.245 66 D C 1.106 177.287 176.300 -0.197 0.000 1.224 66 D CA -0.464 53.605 54.000 0.115 0.000 0.879 66 D CB 0.375 41.238 40.800 0.104 0.000 1.057 66 D HN 0.099 nan 8.370 nan 0.000 0.491 67 W N 5.116 125.948 121.300 -0.779 0.000 2.611 67 W HA 0.001 4.659 4.660 -0.003 0.000 0.251 67 W C 1.047 177.135 176.519 -0.718 0.000 1.265 67 W CA -0.087 56.413 57.345 -1.409 0.000 1.295 67 W CB -0.986 28.015 29.460 -0.766 0.000 1.129 67 W HN 0.373 nan 8.180 nan 0.000 0.630 68 R N -0.047 120.239 120.500 -0.358 0.000 2.193 68 R HA -0.154 4.185 4.340 -0.002 0.000 0.229 68 R C 1.974 178.069 176.300 -0.342 0.000 1.110 68 R CA 1.475 57.324 56.100 -0.419 0.000 0.988 68 R CB -0.731 29.386 30.300 -0.304 0.000 0.871 68 R HN 0.272 nan 8.270 nan 0.000 0.458 69 H N 0.376 119.332 119.070 -0.189 0.000 2.518 69 H HA -0.076 4.479 4.556 -0.002 0.000 0.292 69 H C 1.741 177.041 175.328 -0.046 0.000 1.068 69 H CA 1.032 57.034 56.048 -0.077 0.000 1.275 69 H CB 0.070 29.844 29.762 0.019 0.000 1.375 69 H HN 0.226 nan 8.280 nan 0.000 0.563 70 R N 0.153 120.638 120.500 -0.024 0.000 2.148 70 R HA 0.059 4.398 4.340 -0.002 0.000 0.223 70 R C 0.552 176.835 176.300 -0.029 0.000 1.088 70 R CA 0.272 56.387 56.100 0.025 0.000 0.985 70 R CB 0.190 30.494 30.300 0.008 0.000 0.880 70 R HN 0.133 nan 8.270 nan 0.000 0.451 71 L N 2.267 123.429 121.223 -0.101 0.000 2.357 71 L HA 0.320 4.659 4.340 -0.002 0.000 0.273 71 L C -2.014 174.823 176.870 -0.056 0.000 1.080 71 L CA -2.408 52.372 54.840 -0.099 0.000 0.803 71 L CB 0.682 42.644 42.059 -0.161 0.000 1.174 71 L HN -0.119 nan 8.230 nan 0.000 0.443 72 P HA 0.045 nan 4.420 nan 0.000 0.274 72 P C 0.151 177.427 177.300 -0.039 0.000 1.246 72 P CA -0.322 62.763 63.100 -0.025 0.000 0.795 72 P CB 0.943 32.632 31.700 -0.018 0.000 1.006 73 E N 1.044 121.228 120.200 -0.027 0.000 2.097 73 E HA -0.243 4.106 4.350 -0.002 0.000 0.196 73 E C 1.113 177.689 176.600 -0.039 0.000 1.000 73 E CA 1.888 58.268 56.400 -0.034 0.000 0.804 73 E CB -0.879 28.809 29.700 -0.019 0.000 0.740 73 E HN 0.329 nan 8.360 nan 0.000 0.454 74 D N -0.313 120.068 120.400 -0.032 0.000 2.228 74 D HA -0.164 4.474 4.640 -0.002 0.000 0.203 74 D C 1.365 177.640 176.300 -0.042 0.000 0.988 74 D CA 1.096 55.077 54.000 -0.031 0.000 0.864 74 D CB -0.106 40.679 40.800 -0.025 0.000 0.928 74 D HN 0.245 nan 8.370 nan 0.000 0.469 75 Q N -1.038 118.729 119.800 -0.054 0.000 2.247 75 Q HA 0.234 4.573 4.340 -0.002 0.000 0.211 75 Q C 1.546 177.491 176.000 -0.091 0.000 0.861 75 Q CA -0.040 55.722 55.803 -0.068 0.000 0.949 75 Q CB 0.645 29.340 28.738 -0.072 0.000 1.115 75 Q HN 0.008 nan 8.270 nan 0.000 0.507 76 R N 0.100 120.546 120.500 -0.090 0.000 2.200 76 R HA 0.248 4.587 4.340 -0.002 0.000 0.208 76 R C 0.126 176.368 176.300 -0.096 0.000 1.033 76 R CA 0.453 56.485 56.100 -0.113 0.000 1.000 76 R CB 0.115 30.349 30.300 -0.108 0.000 0.906 76 R HN 0.152 nan 8.270 nan 0.000 0.462 77 A N 1.768 124.546 122.820 -0.070 0.000 2.546 77 A HA 0.016 4.335 4.320 -0.002 0.000 0.243 77 A C -0.360 177.193 177.584 -0.051 0.000 1.063 77 A CA 0.484 52.489 52.037 -0.053 0.000 0.757 77 A CB -0.021 18.955 19.000 -0.041 0.000 0.991 77 A HN 0.625 nan 8.150 nan 0.000 0.503 78 D N 0.443 120.819 120.400 -0.040 0.000 2.723 78 D HA -0.132 4.506 4.640 -0.002 0.000 0.236 78 D C -0.297 175.982 176.300 -0.034 0.000 1.138 78 D CA 1.002 54.985 54.000 -0.029 0.000 0.676 78 D CB -1.030 39.756 40.800 -0.024 0.000 1.069 78 D HN 0.464 nan 8.370 nan 0.000 0.430 79 M N 0.421 119.992 119.600 -0.049 0.000 2.423 79 M HA 0.333 4.812 4.480 -0.002 0.000 0.335 79 M C -1.875 174.430 176.300 0.009 0.000 1.177 79 M CA -1.791 53.474 55.300 -0.059 0.000 1.038 79 M CB 0.603 33.114 32.600 -0.148 0.000 1.641 79 M HN -0.218 nan 8.290 nan 0.000 0.455 80 P HA 0.138 nan 4.420 nan 0.000 0.269 80 P C -0.004 177.483 177.300 0.313 0.000 1.209 80 P CA -0.029 63.174 63.100 0.173 0.000 0.776 80 P CB 0.357 32.194 31.700 0.229 0.000 0.876 81 A N 2.494 125.445 122.820 0.219 0.000 2.066 81 A HA 0.074 4.393 4.320 -0.002 0.000 0.218 81 A C 1.052 178.749 177.584 0.188 0.000 1.157 81 A CA 1.643 53.809 52.037 0.216 0.000 0.670 81 A CB -0.703 18.352 19.000 0.091 0.000 0.804 81 A HN 0.750 nan 8.150 nan 0.000 0.453 82 T N -6.267 108.313 114.554 0.043 0.000 2.821 82 T HA 0.519 4.868 4.350 -0.002 0.000 0.306 82 T C -2.678 171.735 174.700 -0.479 0.000 1.313 82 T CA -0.837 60.944 62.100 -0.531 0.000 1.012 82 T CB 1.900 70.587 68.868 -0.303 0.000 1.298 82 T HN -0.096 nan 8.240 nan 0.000 0.502 83 P HA 0.164 nan 4.420 nan 0.000 0.231 83 P C 0.404 177.602 177.300 -0.171 0.000 1.168 83 P CA 0.761 63.631 63.100 -0.384 0.000 0.779 83 P CB 0.178 31.602 31.700 -0.459 0.000 0.844 84 T N -0.341 114.102 114.554 -0.186 0.000 3.193 84 T HA 0.336 4.685 4.350 -0.002 0.000 0.332 84 T C -3.107 171.546 174.700 -0.079 0.000 1.208 84 T CA -1.691 60.358 62.100 -0.085 0.000 1.080 84 T CB 1.739 70.579 68.868 -0.048 0.000 1.180 84 T HN -0.256 nan 8.240 nan 0.000 0.469 85 P HA 0.215 nan 4.420 nan 0.000 0.238 85 P C -0.078 177.222 177.300 -0.000 0.000 1.714 85 P CA -0.137 62.954 63.100 -0.015 0.000 0.908 85 P CB -0.704 31.002 31.700 0.010 0.000 1.893 86 M N 0.753 120.346 119.600 -0.011 0.000 2.235 86 M HA 0.270 4.748 4.480 -0.002 0.000 0.351 86 M C 2.111 178.439 176.300 0.048 0.000 1.178 86 M CA -0.376 54.932 55.300 0.013 0.000 1.143 86 M CB 1.151 33.753 32.600 0.003 0.000 1.530 86 M HN 0.008 nan 8.290 nan 0.000 0.461 87 M N 1.646 121.298 119.600 0.085 0.000 2.279 87 M HA -0.093 4.386 4.480 -0.002 0.000 0.264 87 M C 1.507 177.996 176.300 0.315 0.000 1.062 87 M CA 1.825 57.237 55.300 0.186 0.000 1.099 87 M CB -0.467 32.221 32.600 0.148 0.000 1.394 87 M HN 0.754 nan 8.290 nan 0.000 0.426 88 I N 1.171 121.857 120.570 0.193 0.000 2.756 88 I HA -0.128 4.041 4.170 -0.002 0.000 0.262 88 I C 1.141 177.250 176.117 -0.013 0.000 1.225 88 I CA 0.848 62.216 61.300 0.112 0.000 1.472 88 I CB 0.128 38.151 38.000 0.040 0.000 1.094 88 I HN 0.387 nan 8.210 nan 0.000 0.454 89 L N 0.479 121.716 121.223 0.023 0.000 2.685 89 L HA 0.299 4.637 4.340 -0.002 0.000 0.233 89 L C 0.049 176.938 176.870 0.032 0.000 1.173 89 L CA -0.076 54.752 54.840 -0.021 0.000 0.961 89 L CB -0.279 41.707 42.059 -0.122 0.000 1.217 89 L HN 0.161 nan 8.230 nan 0.000 0.478 90 M N -1.121 118.562 119.600 0.137 0.000 2.658 90 M HA 0.437 4.915 4.480 -0.002 0.000 0.295 90 M C -1.289 175.157 176.300 0.242 0.000 1.248 90 M CA -0.695 54.709 55.300 0.174 0.000 0.843 90 M CB 2.687 35.398 32.600 0.185 0.000 1.749 90 M HN -0.158 nan 8.290 nan 0.000 0.464 91 D N 0.796 121.312 120.400 0.192 0.000 2.392 91 D HA 0.536 5.175 4.640 -0.002 0.000 0.246 91 D C -2.471 173.925 176.300 0.161 0.000 1.013 91 D CA -1.305 52.794 54.000 0.166 0.000 0.993 91 D CB 0.930 41.819 40.800 0.149 0.000 1.219 91 D HN 0.135 nan 8.370 nan 0.000 0.538 92 P HA 0.086 nan 4.420 nan 0.000 0.267 92 P C -1.729 175.622 177.300 0.084 0.000 1.200 92 P CA -0.592 62.577 63.100 0.115 0.000 0.772 92 P CB 0.149 31.900 31.700 0.085 0.000 0.855 93 P HA 0.045 nan 4.420 nan 0.000 0.252 93 P C 0.488 177.814 177.300 0.043 0.000 1.218 93 P CA 0.719 63.848 63.100 0.049 0.000 0.807 93 P CB 0.362 32.080 31.700 0.031 0.000 1.072 94 D N -0.701 119.735 120.400 0.059 0.000 2.117 94 D HA -0.174 4.465 4.640 -0.002 0.000 0.198 94 D C 1.913 178.240 176.300 0.045 0.000 0.982 94 D CA 1.013 55.041 54.000 0.047 0.000 0.828 94 D CB -0.809 40.025 40.800 0.056 0.000 0.967 94 D HN 0.309 nan 8.370 nan 0.000 0.464 95 H N 0.683 119.767 119.070 0.023 0.000 2.319 95 H HA -0.117 4.437 4.556 -0.002 0.000 0.297 95 H C 1.417 176.733 175.328 -0.020 0.000 1.097 95 H CA 2.059 58.113 56.048 0.011 0.000 1.285 95 H CB 0.003 29.762 29.762 -0.006 0.000 1.368 95 H HN 0.046 nan 8.280 nan 0.000 0.495 96 T N 1.099 115.558 114.554 -0.159 0.000 2.684 96 T HA -0.168 4.181 4.350 -0.002 0.000 0.267 96 T C 2.174 176.770 174.700 -0.174 0.000 1.036 96 T CA 1.687 63.677 62.100 -0.183 0.000 1.148 96 T CB -0.218 68.635 68.868 -0.025 0.000 0.863 96 T HN 0.403 nan 8.240 nan 0.000 0.436 97 R N 0.694 121.133 120.500 -0.102 0.000 2.066 97 R HA 0.049 4.388 4.340 -0.002 0.000 0.232 97 R C 2.414 178.664 176.300 -0.084 0.000 1.131 97 R CA 1.067 57.126 56.100 -0.069 0.000 0.955 97 R CB -0.422 29.857 30.300 -0.034 0.000 0.851 97 R HN 0.346 nan 8.270 nan 0.000 0.432 98 L N 0.403 121.566 121.223 -0.100 0.000 2.083 98 L HA -0.127 4.212 4.340 -0.002 0.000 0.209 98 L C 2.823 179.624 176.870 -0.115 0.000 1.083 98 L CA 1.406 56.196 54.840 -0.083 0.000 0.752 98 L CB -0.421 41.605 42.059 -0.055 0.000 0.899 98 L HN 0.218 nan 8.230 nan 0.000 0.433 99 R N 0.878 121.236 120.500 -0.236 0.000 2.081 99 R HA -0.187 4.151 4.340 -0.002 0.000 0.235 99 R C 2.286 178.520 176.300 -0.109 0.000 1.131 99 R CA 1.575 57.537 56.100 -0.230 0.000 0.960 99 R CB -0.276 29.736 30.300 -0.480 0.000 0.856 99 R HN 0.112 nan 8.270 nan 0.000 0.436 100 K N 0.115 120.454 120.400 -0.102 0.000 2.152 100 K HA -0.149 4.170 4.320 -0.002 0.000 0.206 100 K C 2.015 178.604 176.600 -0.018 0.000 1.048 100 K CA 1.499 57.758 56.287 -0.047 0.000 0.933 100 K CB -0.163 32.309 32.500 -0.046 0.000 0.721 100 K HN 0.285 nan 8.250 nan 0.000 0.447 101 L N 0.475 121.687 121.223 -0.019 0.000 2.046 101 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 101 L C 2.194 179.084 176.870 0.032 0.000 1.077 101 L CA 1.281 56.122 54.840 0.002 0.000 0.747 101 L CB -0.095 41.962 42.059 -0.002 0.000 0.896 101 L HN 0.126 nan 8.230 nan 0.000 0.432 102 V N -4.653 115.293 119.914 0.055 0.000 3.174 102 V HA 0.169 4.288 4.120 -0.002 0.000 0.254 102 V C 2.290 178.505 176.094 0.200 0.000 1.120 102 V CA 0.880 63.269 62.300 0.148 0.000 1.114 102 V CB -1.099 30.830 31.823 0.175 0.000 0.756 102 V HN 0.356 nan 8.190 nan 0.000 0.467 103 G N 2.513 111.377 108.800 0.106 0.000 2.505 103 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.220 103 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.220 103 G C 1.682 176.653 174.900 0.118 0.000 1.145 103 G CA 1.540 46.704 45.100 0.107 0.000 0.761 103 G HN 0.739 nan 8.290 nan 0.000 0.571 104 R N 0.080 120.622 120.500 0.070 0.000 2.120 104 R HA 0.103 4.441 4.340 -0.002 0.000 0.234 104 R C 2.318 178.619 176.300 0.002 0.000 1.123 104 R CA 1.647 57.766 56.100 0.031 0.000 0.975 104 R CB -0.628 29.677 30.300 0.009 0.000 0.866 104 R HN 0.194 nan 8.270 nan 0.000 0.446 105 S N -0.156 115.539 115.700 -0.009 0.000 2.561 105 S HA 0.103 4.572 4.470 -0.002 0.000 0.225 105 S C 0.268 174.609 174.600 -0.431 0.000 0.977 105 S CA 0.550 58.624 58.200 -0.209 0.000 0.926 105 S CB 0.002 63.044 63.200 -0.264 0.000 0.769 105 S HN 0.290 nan 8.310 nan 0.000 0.533 106 F N 1.644 121.587 119.950 -0.011 0.000 2.764 106 F HA 0.190 4.715 4.527 -0.002 0.000 0.310 106 F C 1.192 176.986 175.800 -0.009 0.000 1.124 106 F CA -0.655 57.337 58.000 -0.013 0.000 1.252 106 F CB -0.029 38.961 39.000 -0.017 0.000 1.010 106 F HN -0.005 nan 8.300 nan 0.000 0.518 107 T N -2.851 111.756 114.554 0.088 0.000 2.856 107 T HA 0.108 4.457 4.350 -0.002 0.000 0.306 107 T C 1.522 176.252 174.700 0.051 0.000 1.062 107 T CA -0.471 61.668 62.100 0.065 0.000 1.083 107 T CB 1.463 70.350 68.868 0.031 0.000 0.984 107 T HN -0.053 nan 8.240 nan 0.000 0.542 108 V N 1.746 121.690 119.914 0.049 0.000 2.317 108 V HA -0.203 3.916 4.120 -0.002 0.000 0.251 108 V C 3.029 179.138 176.094 0.025 0.000 1.065 108 V CA 2.431 64.756 62.300 0.042 0.000 1.049 108 V CB -0.918 30.930 31.823 0.042 0.000 0.651 108 V HN 0.943 nan 8.190 nan 0.000 0.450 109 R N -0.708 119.802 120.500 0.016 0.000 2.090 109 R HA -0.090 4.248 4.340 -0.002 0.000 0.228 109 R C 2.534 178.829 176.300 -0.008 0.000 1.110 109 R CA 0.960 57.063 56.100 0.005 0.000 0.973 109 R CB -0.096 30.205 30.300 0.002 0.000 0.869 109 R HN 0.326 nan 8.270 nan 0.000 0.440 110 R N -0.156 120.333 120.500 -0.019 0.000 2.115 110 R HA -0.038 4.300 4.340 -0.002 0.000 0.230 110 R C 2.015 178.285 176.300 -0.051 0.000 1.111 110 R CA 1.002 57.072 56.100 -0.049 0.000 0.976 110 R CB -0.124 30.125 30.300 -0.084 0.000 0.870 110 R HN 0.302 nan 8.270 nan 0.000 0.445 111 M N 0.186 119.772 119.600 -0.024 0.000 2.287 111 M HA -0.021 4.458 4.480 -0.002 0.000 0.266 111 M C 1.457 177.757 176.300 -0.001 0.000 1.079 111 M CA 0.939 56.233 55.300 -0.010 0.000 1.146 111 M CB -0.954 31.664 32.600 0.029 0.000 1.374 111 M HN -0.038 nan 8.290 nan 0.000 0.435 112 N N 1.685 120.389 118.700 0.007 0.000 2.192 112 N HA -0.198 4.541 4.740 -0.002 0.000 0.188 112 N C 1.419 176.930 175.510 0.002 0.000 1.013 112 N CA 1.397 54.453 53.050 0.010 0.000 0.863 112 N CB -0.310 38.186 38.487 0.014 0.000 0.990 112 N HN 0.609 nan 8.380 nan 0.000 0.430 113 E N 0.122 120.317 120.200 -0.008 0.000 2.502 113 E HA -0.032 4.317 4.350 -0.002 0.000 0.194 113 E C 1.391 177.982 176.600 -0.016 0.000 1.062 113 E CA 0.219 56.611 56.400 -0.012 0.000 0.867 113 E CB -0.167 29.522 29.700 -0.018 0.000 0.888 113 E HN 0.346 nan 8.360 nan 0.000 0.510 114 L N 0.866 122.079 121.223 -0.017 0.000 2.509 114 L HA 0.030 4.368 4.340 -0.002 0.000 0.222 114 L C 2.468 179.334 176.870 -0.006 0.000 1.123 114 L CA 0.466 55.296 54.840 -0.017 0.000 0.856 114 L CB -0.221 41.824 42.059 -0.024 0.000 0.985 114 L HN 0.253 nan 8.230 nan 0.000 0.456 115 E N 1.250 121.451 120.200 0.002 0.000 2.070 115 E HA -0.238 4.111 4.350 -0.002 0.000 0.197 115 E C -0.618 175.988 176.600 0.009 0.000 1.004 115 E CA 1.574 57.980 56.400 0.010 0.000 0.805 115 E CB -0.476 29.234 29.700 0.017 0.000 0.744 115 E HN 0.286 nan 8.360 nan 0.000 0.451 116 P HA -0.191 nan 4.420 nan 0.000 0.215 116 P C 1.121 178.424 177.300 0.005 0.000 1.157 116 P CA 1.654 64.758 63.100 0.007 0.000 0.874 116 P CB -0.075 31.627 31.700 0.004 0.000 0.790 117 R N 0.124 120.623 120.500 -0.001 0.000 2.075 117 R HA -0.033 4.306 4.340 -0.002 0.000 0.232 117 R C 2.168 178.465 176.300 -0.006 0.000 1.126 117 R CA 1.448 57.545 56.100 -0.005 0.000 0.963 117 R CB -1.595 28.699 30.300 -0.011 0.000 0.858 117 R HN 0.127 nan 8.270 nan 0.000 0.435 118 I N 0.056 120.622 120.570 -0.007 0.000 2.208 118 I HA -0.295 3.873 4.170 -0.002 0.000 0.245 118 I C 1.774 177.890 176.117 -0.001 0.000 1.097 118 I CA 1.914 63.207 61.300 -0.011 0.000 1.363 118 I CB -0.478 37.518 38.000 -0.007 0.000 1.051 118 I HN 0.233 nan 8.210 nan 0.000 0.413 119 T N -0.021 114.540 114.554 0.013 0.000 2.746 119 T HA -0.175 4.174 4.350 -0.002 0.000 0.267 119 T C 1.729 176.446 174.700 0.027 0.000 1.039 119 T CA 1.338 63.454 62.100 0.027 0.000 1.142 119 T CB -0.271 68.614 68.868 0.029 0.000 0.866 119 T HN 0.413 nan 8.240 nan 0.000 0.444 120 E N 0.686 120.896 120.200 0.017 0.000 2.058 120 E HA -0.097 4.252 4.350 -0.002 0.000 0.194 120 E C 2.184 178.794 176.600 0.017 0.000 0.997 120 E CA 1.091 57.501 56.400 0.016 0.000 0.801 120 E CB -0.347 29.359 29.700 0.009 0.000 0.746 120 E HN 0.469 nan 8.360 nan 0.000 0.450 121 I N 1.119 121.692 120.570 0.005 0.000 2.127 121 I HA -0.323 3.846 4.170 -0.002 0.000 0.241 121 I C 2.598 178.722 176.117 0.012 0.000 1.075 121 I CA 1.155 62.452 61.300 -0.005 0.000 1.334 121 I CB -0.438 37.541 38.000 -0.034 0.000 1.040 121 I HN 0.112 nan 8.210 nan 0.000 0.405 122 A N 0.510 123.339 122.820 0.016 0.000 1.883 122 A HA -0.264 4.055 4.320 -0.002 0.000 0.217 122 A C 1.993 179.671 177.584 0.157 0.000 1.186 122 A CA 2.267 54.354 52.037 0.084 0.000 0.624 122 A CB -0.699 18.355 19.000 0.090 0.000 0.822 122 A HN 0.366 nan 8.150 nan 0.000 0.444 123 D N -0.490 119.967 120.400 0.094 0.000 2.144 123 D HA -0.071 4.567 4.640 -0.002 0.000 0.199 123 D C 2.083 178.421 176.300 0.063 0.000 0.984 123 D CA 1.399 55.444 54.000 0.075 0.000 0.834 123 D CB -0.694 40.135 40.800 0.049 0.000 0.955 123 D HN 0.441 nan 8.370 nan 0.000 0.465 124 G N 0.610 109.443 108.800 0.055 0.000 2.418 124 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.217 124 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.217 124 G C 1.796 176.730 174.900 0.057 0.000 1.158 124 G CA 0.314 45.440 45.100 0.043 0.000 0.771 124 G HN 0.256 nan 8.290 nan 0.000 0.545 125 L N -0.179 121.102 121.223 0.097 0.000 2.056 125 L HA 0.037 4.376 4.340 -0.002 0.000 0.207 125 L C 2.906 179.839 176.870 0.105 0.000 1.078 125 L CA 0.501 55.422 54.840 0.136 0.000 0.749 125 L CB -0.376 41.834 42.059 0.252 0.000 0.901 125 L HN 0.174 nan 8.230 nan 0.000 0.433 126 L N -0.400 120.884 121.223 0.102 0.000 2.046 126 L HA -0.210 4.129 4.340 -0.002 0.000 0.208 126 L C 2.879 179.740 176.870 -0.015 0.000 1.077 126 L CA 1.150 55.985 54.840 -0.007 0.000 0.747 126 L CB -0.775 41.279 42.059 -0.008 0.000 0.896 126 L HN 0.252 nan 8.230 nan 0.000 0.432 127 A N 0.157 122.983 122.820 0.010 0.000 1.940 127 A HA -0.140 4.179 4.320 -0.002 0.000 0.219 127 A C 2.279 179.860 177.584 -0.004 0.000 1.176 127 A CA 1.892 53.930 52.037 0.002 0.000 0.631 127 A CB -1.002 18.004 19.000 0.010 0.000 0.814 127 A HN 0.464 nan 8.150 nan 0.000 0.446 128 G N -1.350 107.452 108.800 0.004 0.000 2.939 128 G HA2 0.373 4.332 3.960 -0.002 0.000 0.210 128 G HA3 0.373 4.332 3.960 -0.002 0.000 0.210 128 G C 0.493 175.388 174.900 -0.007 0.000 1.160 128 G CA -0.312 44.789 45.100 0.002 0.000 0.770 128 G HN 0.369 nan 8.290 nan 0.000 0.543 129 L N 2.299 123.511 121.223 -0.019 0.000 2.397 129 L HA 0.293 4.632 4.340 -0.002 0.000 0.271 129 L C -1.581 175.262 176.870 -0.044 0.000 1.148 129 L CA -1.768 53.050 54.840 -0.035 0.000 0.825 129 L CB 1.034 43.055 42.059 -0.063 0.000 1.117 129 L HN 0.006 nan 8.230 nan 0.000 0.456 130 P HA 0.080 nan 4.420 nan 0.000 0.274 130 P C 0.290 177.561 177.300 -0.049 0.000 1.231 130 P CA -0.407 62.669 63.100 -0.039 0.000 0.790 130 P CB 0.978 32.658 31.700 -0.032 0.000 0.951 131 T N -2.537 111.991 114.554 -0.043 0.000 3.014 131 T HA 0.036 4.385 4.350 -0.002 0.000 0.263 131 T C 0.449 175.123 174.700 -0.044 0.000 1.078 131 T CA 0.623 62.695 62.100 -0.047 0.000 1.135 131 T CB -0.216 68.629 68.868 -0.038 0.000 0.895 131 T HN 0.377 nan 8.240 nan 0.000 0.480 132 D N -0.296 120.082 120.400 -0.037 0.000 2.419 132 D HA 0.567 5.206 4.640 -0.002 0.000 0.234 132 D C 0.198 176.479 176.300 -0.032 0.000 1.014 132 D CA 0.745 54.725 54.000 -0.033 0.000 0.919 132 D CB 1.575 42.360 40.800 -0.026 0.000 1.366 132 D HN 0.532 nan 8.370 nan 0.000 0.490 133 G N 1.523 110.305 108.800 -0.031 0.000 2.758 133 G HA2 -0.053 3.906 3.960 -0.002 0.000 0.686 133 G HA3 -0.053 3.906 3.960 -0.002 0.000 0.686 133 G C -2.681 172.199 174.900 -0.034 0.000 1.389 133 G CA -0.649 44.433 45.100 -0.029 0.000 0.845 133 G HN 0.510 nan 8.290 nan 0.000 0.572 134 P HA 0.526 nan 4.420 nan 0.000 0.279 134 P C 0.047 177.326 177.300 -0.036 0.000 1.239 134 P CA 0.019 63.098 63.100 -0.035 0.000 0.789 134 P CB 1.570 33.252 31.700 -0.030 0.000 0.933 135 V N -0.459 119.430 119.914 -0.042 0.000 2.789 135 V HA 0.498 4.617 4.120 -0.002 0.000 0.311 135 V C -0.657 175.416 176.094 -0.035 0.000 1.073 135 V CA -1.078 61.199 62.300 -0.037 0.000 0.921 135 V CB 1.965 33.764 31.823 -0.041 0.000 1.009 135 V HN 0.368 nan 8.190 nan 0.000 0.426 136 D N 3.256 123.640 120.400 -0.028 0.000 2.359 136 D HA 0.162 4.801 4.640 -0.002 0.000 0.250 136 D C 0.722 177.020 176.300 -0.003 0.000 1.264 136 D CA -0.125 53.860 54.000 -0.025 0.000 0.911 136 D CB 1.265 42.044 40.800 -0.034 0.000 1.056 136 D HN 0.656 nan 8.370 nan 0.000 0.499 137 L N 4.616 125.837 121.223 -0.003 0.000 2.191 137 L HA -0.140 4.199 4.340 -0.002 0.000 0.212 137 L C 1.794 178.722 176.870 0.096 0.000 1.103 137 L CA 1.344 56.208 54.840 0.039 0.000 0.769 137 L CB -0.229 41.835 42.059 0.008 0.000 0.908 137 L HN 0.518 nan 8.230 nan 0.000 0.438 138 M N -1.063 118.567 119.600 0.049 0.000 2.062 138 M HA -0.162 4.317 4.480 -0.002 0.000 0.259 138 M C 2.402 178.755 176.300 0.088 0.000 1.076 138 M CA 1.541 56.878 55.300 0.063 0.000 1.122 138 M CB -1.394 31.205 32.600 -0.001 0.000 1.312 138 M HN 0.231 nan 8.290 nan 0.000 0.412 139 R N 0.384 120.892 120.500 0.012 0.000 2.091 139 R HA -0.148 4.191 4.340 -0.002 0.000 0.238 139 R C 1.660 178.024 176.300 0.108 0.000 1.136 139 R CA 1.282 57.383 56.100 0.002 0.000 0.959 139 R CB 0.103 30.360 30.300 -0.071 0.000 0.856 139 R HN 0.336 nan 8.270 nan 0.000 0.437 140 E N -1.597 118.663 120.200 0.100 0.000 2.442 140 E HA -0.094 4.255 4.350 -0.002 0.000 0.195 140 E C 0.460 177.186 176.600 0.210 0.000 1.030 140 E CA 0.715 57.187 56.400 0.120 0.000 0.869 140 E CB 0.343 30.086 29.700 0.072 0.000 0.857 140 E HN 0.479 nan 8.360 nan 0.000 0.505 141 Y N -0.946 119.381 120.300 0.046 0.000 3.299 141 Y HA 0.267 4.816 4.550 -0.003 0.000 0.195 141 Y C 2.047 177.975 175.900 0.046 0.000 0.972 141 Y CA 0.716 58.834 58.100 0.030 0.000 1.633 141 Y CB -0.285 38.176 38.460 0.002 0.000 1.465 141 Y HN -0.086 nan 8.280 nan 0.000 0.367 142 A N 0.626 123.517 122.820 0.118 0.000 1.908 142 A HA -0.228 4.091 4.320 -0.002 0.000 0.218 142 A C 1.923 179.527 177.584 0.033 0.000 1.181 142 A CA 2.059 54.117 52.037 0.035 0.000 0.627 142 A CB -1.297 17.776 19.000 0.122 0.000 0.818 142 A HN 0.659 nan 8.150 nan 0.000 0.445 143 F N 0.104 120.025 119.950 -0.048 0.000 2.234 143 F HA -0.090 4.437 4.527 0.000 0.000 0.296 143 F C 2.448 178.191 175.800 -0.095 0.000 1.089 143 F CA 1.707 59.674 58.000 -0.055 0.000 1.343 143 F CB -0.105 38.877 39.000 -0.029 0.000 1.040 143 F HN 0.161 nan 8.300 nan 0.000 0.498 144 Q N 0.648 120.412 119.800 -0.061 0.000 2.079 144 Q HA -0.137 4.201 4.340 -0.002 0.000 0.200 144 Q C 2.477 178.330 176.000 -0.245 0.000 0.974 144 Q CA 1.864 57.575 55.803 -0.154 0.000 0.840 144 Q CB -0.525 28.200 28.738 -0.022 0.000 0.898 144 Q HN 0.515 nan 8.270 nan 0.000 0.430 145 I N 1.370 121.781 120.570 -0.265 0.000 2.113 145 I HA -0.227 3.942 4.170 -0.002 0.000 0.238 145 I C -0.661 175.325 176.117 -0.219 0.000 1.070 145 I CA 1.222 62.374 61.300 -0.247 0.000 1.332 145 I CB -1.528 36.284 38.000 -0.313 0.000 1.044 145 I HN 0.138 nan 8.210 nan 0.000 0.402 146 P HA -0.094 nan 4.420 nan 0.000 0.217 146 P C 1.989 179.114 177.300 -0.293 0.000 1.150 146 P CA 1.242 64.217 63.100 -0.207 0.000 0.832 146 P CB -0.086 31.511 31.700 -0.172 0.000 0.787 147 V N 0.465 120.083 119.914 -0.494 0.000 2.295 147 V HA -0.265 3.854 4.120 -0.002 0.000 0.246 147 V C 2.785 178.705 176.094 -0.290 0.000 1.049 147 V CA 1.855 63.791 62.300 -0.606 0.000 1.024 147 V CB -1.299 29.946 31.823 -0.964 0.000 0.648 147 V HN 0.158 nan 8.190 nan 0.000 0.447 148 Q N -0.506 119.163 119.800 -0.217 0.000 2.050 148 Q HA -0.175 4.164 4.340 -0.002 0.000 0.202 148 Q C 2.394 178.347 176.000 -0.077 0.000 0.980 148 Q CA 1.949 57.687 55.803 -0.108 0.000 0.840 148 Q CB -0.423 28.262 28.738 -0.089 0.000 0.898 148 Q HN 0.558 nan 8.270 nan 0.000 0.424 149 V N 0.932 120.792 119.914 -0.091 0.000 2.282 149 V HA -0.271 3.847 4.120 -0.002 0.000 0.249 149 V C 2.191 178.265 176.094 -0.034 0.000 1.057 149 V CA 1.671 63.938 62.300 -0.055 0.000 1.032 149 V CB -0.456 31.336 31.823 -0.052 0.000 0.645 149 V HN 0.293 nan 8.190 nan 0.000 0.447 150 I N -0.772 119.771 120.570 -0.046 0.000 2.353 150 I HA -0.163 4.006 4.170 -0.002 0.000 0.248 150 I C 2.354 178.478 176.117 0.011 0.000 1.119 150 I CA 1.289 62.589 61.300 -0.000 0.000 1.417 150 I CB -0.381 37.623 38.000 0.006 0.000 1.078 150 I HN 0.312 nan 8.210 nan 0.000 0.421 151 C N 0.386 119.691 119.300 0.009 0.000 2.429 151 C HA -0.148 4.311 4.460 -0.002 0.000 0.277 151 C C 2.596 177.605 174.990 0.031 0.000 1.262 151 C CA 1.021 60.068 59.018 0.049 0.000 1.733 151 C CB -1.124 26.677 27.740 0.101 0.000 2.010 151 C HN 0.517 nan 8.230 nan 0.000 0.483 152 E N 0.185 120.392 120.200 0.011 0.000 2.046 152 E HA -0.181 4.168 4.350 -0.002 0.000 0.190 152 E C 2.022 178.617 176.600 -0.009 0.000 0.982 152 E CA 0.790 57.191 56.400 0.002 0.000 0.800 152 E CB -0.331 29.364 29.700 -0.008 0.000 0.756 152 E HN 0.421 nan 8.360 nan 0.000 0.449 153 L N 1.104 122.319 121.223 -0.014 0.000 2.042 153 L HA -0.188 4.151 4.340 -0.002 0.000 0.210 153 L C 1.980 178.838 176.870 -0.020 0.000 1.076 153 L CA 1.705 56.526 54.840 -0.031 0.000 0.749 153 L CB -0.281 41.763 42.059 -0.025 0.000 0.893 153 L HN 0.121 nan 8.230 nan 0.000 0.432 154 L N -1.232 119.995 121.223 0.007 0.000 2.307 154 L HA 0.234 4.573 4.340 -0.002 0.000 0.211 154 L C 1.332 178.203 176.870 0.002 0.000 1.099 154 L CA 0.586 55.432 54.840 0.010 0.000 0.816 154 L CB -0.564 41.504 42.059 0.015 0.000 0.952 154 L HN 0.507 nan 8.230 nan 0.000 0.455 155 G N 1.306 110.111 108.800 0.008 0.000 2.255 155 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.239 155 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.239 155 G C -0.241 174.681 174.900 0.037 0.000 1.083 155 G CA -0.461 44.650 45.100 0.018 0.000 0.826 155 G HN 0.140 nan 8.290 nan 0.000 0.493 156 L N 1.309 122.562 121.223 0.051 0.000 2.276 156 L HA 0.422 4.761 4.340 -0.002 0.000 0.286 156 L C -1.441 175.549 176.870 0.200 0.000 1.061 156 L CA -2.178 52.719 54.840 0.096 0.000 0.807 156 L CB 1.164 43.196 42.059 -0.046 0.000 1.177 156 L HN 0.014 nan 8.230 nan 0.000 0.429 157 P HA 0.013 nan 4.420 nan 0.000 0.267 157 P C 0.407 177.864 177.300 0.262 0.000 1.209 157 P CA -0.099 63.141 63.100 0.233 0.000 0.763 157 P CB 1.266 33.107 31.700 0.236 0.000 0.816 158 A N 4.692 127.606 122.820 0.157 0.000 1.948 158 A HA -0.222 4.096 4.320 -0.002 0.000 0.220 158 A C 1.940 179.543 177.584 0.031 0.000 1.177 158 A CA 1.405 53.499 52.037 0.095 0.000 0.636 158 A CB -0.835 18.198 19.000 0.055 0.000 0.815 158 A HN 0.544 nan 8.150 nan 0.000 0.449 159 E N 0.099 120.327 120.200 0.047 0.000 2.333 159 E HA -0.155 4.194 4.350 -0.002 0.000 0.198 159 E C 0.501 177.075 176.600 -0.042 0.000 1.007 159 E CA 1.163 57.569 56.400 0.010 0.000 0.845 159 E CB -0.207 29.517 29.700 0.041 0.000 0.766 159 E HN 0.655 nan 8.360 nan 0.000 0.507 160 D N -0.208 120.170 120.400 -0.036 0.000 2.369 160 D HA 0.060 4.699 4.640 -0.002 0.000 0.211 160 D C 1.622 177.395 176.300 -0.880 0.000 1.077 160 D CA -0.112 53.761 54.000 -0.212 0.000 0.842 160 D CB 0.159 41.038 40.800 0.131 0.000 0.947 160 D HN 0.059 nan 8.370 nan 0.000 0.509 161 R N 0.970 120.957 120.500 -0.854 0.000 2.119 161 R HA -0.156 4.183 4.340 -0.002 0.000 0.246 161 R C 1.504 177.266 176.300 -0.897 0.000 1.146 161 R CA 1.360 56.754 56.100 -1.177 0.000 0.962 161 R CB 0.006 30.081 30.300 -0.376 0.000 0.863 161 R HN 0.030 nan 8.270 nan 0.000 0.442 162 D N 0.150 120.222 120.400 -0.547 0.000 2.144 162 D HA -0.134 4.505 4.640 -0.002 0.000 0.199 162 D C 1.381 177.338 176.300 -0.572 0.000 0.984 162 D CA 1.092 54.847 54.000 -0.408 0.000 0.834 162 D CB -0.247 40.394 40.800 -0.265 0.000 0.955 162 D HN 0.174 nan 8.370 nan 0.000 0.465 163 D N 0.046 119.995 120.400 -0.751 0.000 2.081 163 D HA -0.139 4.500 4.640 -0.002 0.000 0.194 163 D C 2.054 177.356 176.300 -1.664 0.000 0.986 163 D CA 0.851 54.199 54.000 -1.087 0.000 0.837 163 D CB -0.503 39.741 40.800 -0.927 0.000 0.985 163 D HN 0.358 nan 8.370 nan 0.000 0.448 164 F N 0.972 120.183 119.950 -1.232 0.000 2.451 164 F HA 0.105 4.632 4.527 0.001 0.000 0.299 164 F C 2.219 177.702 175.800 -0.527 0.000 1.101 164 F CA 0.212 57.685 58.000 -0.877 0.000 1.436 164 F CB -0.947 37.775 39.000 -0.463 0.000 1.074 164 F HN -0.234 nan 8.300 nan 0.000 0.553 165 S N 1.144 116.618 115.700 -0.376 0.000 2.356 165 S HA -0.149 4.320 4.470 -0.002 0.000 0.223 165 S C 2.461 176.993 174.600 -0.113 0.000 1.032 165 S CA 1.309 59.473 58.200 -0.060 0.000 1.005 165 S CB -0.854 62.399 63.200 0.089 0.000 0.867 165 S HN 0.584 nan 8.310 nan 0.000 0.449 166 A N 1.383 124.027 122.820 -0.294 0.000 1.877 166 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 166 A C 1.934 179.503 177.584 -0.024 0.000 1.186 166 A CA 1.464 53.383 52.037 -0.196 0.000 0.620 166 A CB -0.870 17.968 19.000 -0.271 0.000 0.822 166 A HN 0.657 nan 8.150 nan 0.000 0.443 167 W N -0.204 121.089 121.300 -0.012 0.000 2.379 167 W HA -0.061 4.597 4.660 -0.004 0.000 0.307 167 W C 2.934 179.452 176.519 -0.001 0.000 1.200 167 W CA 0.782 58.127 57.345 -0.000 0.000 1.297 167 W CB -1.653 27.814 29.460 0.011 0.000 1.140 167 W HN 0.426 nan 8.180 nan 0.000 0.507 168 S N 0.882 116.691 115.700 0.183 0.000 2.365 168 S HA -0.240 4.228 4.470 -0.002 0.000 0.225 168 S C 2.259 176.921 174.600 0.103 0.000 1.039 168 S CA 2.872 61.125 58.200 0.089 0.000 1.033 168 S CB -0.701 62.457 63.200 -0.070 0.000 0.887 168 S HN 0.272 nan 8.310 nan 0.000 0.447 169 S N 0.430 116.187 115.700 0.096 0.000 2.402 169 S HA -0.037 4.432 4.470 -0.002 0.000 0.229 169 S C 1.826 176.469 174.600 0.071 0.000 1.021 169 S CA 1.256 59.507 58.200 0.086 0.000 0.974 169 S CB -0.771 62.460 63.200 0.051 0.000 0.800 169 S HN 0.374 nan 8.310 nan 0.000 0.484 170 V N 2.044 122.007 119.914 0.082 0.000 2.490 170 V HA -0.067 4.052 4.120 -0.002 0.000 0.250 170 V C 2.443 178.578 176.094 0.068 0.000 1.061 170 V CA 1.604 63.947 62.300 0.073 0.000 1.064 170 V CB -0.851 31.030 31.823 0.097 0.000 0.670 170 V HN 0.504 nan 8.190 nan 0.000 0.461 171 L N 0.305 121.576 121.223 0.080 0.000 2.465 171 L HA -0.047 4.292 4.340 -0.002 0.000 0.224 171 L C 2.005 178.913 176.870 0.063 0.000 1.145 171 L CA 1.035 55.916 54.840 0.068 0.000 0.834 171 L CB -0.224 41.878 42.059 0.071 0.000 0.944 171 L HN 0.493 nan 8.230 nan 0.000 0.451 172 V N -4.893 115.062 119.914 0.070 0.000 3.604 172 V HA 0.171 4.289 4.120 -0.002 0.000 0.277 172 V C 0.528 176.664 176.094 0.070 0.000 1.399 172 V CA -0.144 62.201 62.300 0.075 0.000 1.034 172 V CB -0.124 31.755 31.823 0.093 0.000 0.824 172 V HN 0.315 nan 8.190 nan 0.000 0.439 173 D N 1.075 121.504 120.400 0.047 0.000 2.560 173 D HA 0.171 4.810 4.640 -0.002 0.000 0.277 173 D C 0.515 176.825 176.300 0.018 0.000 1.194 173 D CA 0.153 54.164 54.000 0.019 0.000 1.092 173 D CB -0.083 40.705 40.800 -0.021 0.000 1.169 173 D HN 0.207 nan 8.370 nan 0.000 0.607 174 D N -1.015 119.375 120.400 -0.015 0.000 2.413 174 D HA 0.017 4.656 4.640 -0.002 0.000 0.237 174 D C -0.415 175.889 176.300 0.007 0.000 1.171 174 D CA -0.406 53.598 54.000 0.006 0.000 0.839 174 D CB -0.776 40.020 40.800 -0.008 0.000 0.950 174 D HN 0.115 nan 8.370 nan 0.000 0.499 175 S N 1.826 117.532 115.700 0.011 0.000 2.558 175 S HA 0.150 4.619 4.470 -0.002 0.000 0.288 175 S C -2.128 172.487 174.600 0.025 0.000 1.318 175 S CA -0.712 57.499 58.200 0.017 0.000 1.056 175 S CB 0.478 63.693 63.200 0.026 0.000 0.853 175 S HN 0.254 nan 8.310 nan 0.000 0.505 176 P HA 0.024 nan 4.420 nan 0.000 0.267 176 P C 0.444 177.762 177.300 0.031 0.000 1.195 176 P CA 0.063 63.179 63.100 0.026 0.000 0.773 176 P CB 0.318 32.032 31.700 0.023 0.000 0.837 177 A N 2.693 125.533 122.820 0.034 0.000 1.917 177 A HA -0.251 4.068 4.320 -0.002 0.000 0.219 177 A C 1.770 179.374 177.584 0.033 0.000 1.182 177 A CA 2.100 54.160 52.037 0.039 0.000 0.633 177 A CB -1.213 17.814 19.000 0.044 0.000 0.819 177 A HN 0.505 nan 8.150 nan 0.000 0.448 178 D N 0.121 120.537 120.400 0.027 0.000 2.117 178 D HA -0.115 4.524 4.640 -0.002 0.000 0.197 178 D C 1.334 177.646 176.300 0.020 0.000 0.987 178 D CA 1.454 55.467 54.000 0.021 0.000 0.829 178 D CB -0.407 40.404 40.800 0.018 0.000 0.961 178 D HN 0.428 nan 8.370 nan 0.000 0.460 179 D N 0.562 120.977 120.400 0.025 0.000 2.144 179 D HA -0.074 4.564 4.640 -0.002 0.000 0.200 179 D C 1.932 178.253 176.300 0.034 0.000 0.978 179 D CA 0.730 54.749 54.000 0.031 0.000 0.833 179 D CB -0.079 40.742 40.800 0.035 0.000 0.961 179 D HN 0.255 nan 8.370 nan 0.000 0.470 180 K N 0.456 120.876 120.400 0.034 0.000 2.097 180 K HA -0.031 4.288 4.320 -0.002 0.000 0.205 180 K C 1.782 178.393 176.600 0.019 0.000 1.050 180 K CA 0.579 56.886 56.287 0.035 0.000 0.938 180 K CB 0.035 32.557 32.500 0.038 0.000 0.718 180 K HN 0.086 nan 8.250 nan 0.000 0.442 181 N N 1.137 119.845 118.700 0.013 0.000 2.106 181 N HA -0.106 4.633 4.740 -0.002 0.000 0.188 181 N C 1.899 177.392 175.510 -0.028 0.000 1.029 181 N CA 1.231 54.279 53.050 -0.004 0.000 0.848 181 N CB -0.199 38.291 38.487 0.004 0.000 1.007 181 N HN 0.147 nan 8.380 nan 0.000 0.423 182 A N 1.426 124.232 122.820 -0.023 0.000 1.873 182 A HA -0.105 4.214 4.320 -0.002 0.000 0.218 182 A C 2.407 179.931 177.584 -0.100 0.000 1.193 182 A CA 2.277 54.286 52.037 -0.048 0.000 0.629 182 A CB -0.957 18.032 19.000 -0.018 0.000 0.826 182 A HN 0.344 nan 8.150 nan 0.000 0.447 183 A N -0.991 121.797 122.820 -0.053 0.000 1.933 183 A HA -0.138 4.180 4.320 -0.002 0.000 0.218 183 A C 2.297 179.810 177.584 -0.118 0.000 1.175 183 A CA 1.939 53.936 52.037 -0.067 0.000 0.628 183 A CB -0.510 18.548 19.000 0.096 0.000 0.814 183 A HN 0.633 nan 8.150 nan 0.000 0.444 184 M N -0.382 119.185 119.600 -0.053 0.000 2.229 184 M HA -0.056 4.423 4.480 -0.002 0.000 0.264 184 M C 2.028 178.290 176.300 -0.062 0.000 1.063 184 M CA 1.612 56.893 55.300 -0.032 0.000 1.114 184 M CB -0.373 32.220 32.600 -0.011 0.000 1.387 184 M HN 0.417 nan 8.290 nan 0.000 0.420 185 G N 0.761 109.497 108.800 -0.107 0.000 2.433 185 G HA2 -0.228 3.730 3.960 -0.002 0.000 0.216 185 G HA3 -0.228 3.730 3.960 -0.002 0.000 0.216 185 G C 1.463 176.250 174.900 -0.188 0.000 1.186 185 G CA 0.984 46.015 45.100 -0.114 0.000 0.779 185 G HN 0.434 nan 8.290 nan 0.000 0.543 186 K N -0.106 120.046 120.400 -0.413 0.000 2.057 186 K HA 0.104 4.423 4.320 -0.002 0.000 0.207 186 K C 2.465 178.560 176.600 -0.842 0.000 1.049 186 K CA 0.692 56.509 56.287 -0.783 0.000 0.931 186 K CB -0.342 31.316 32.500 -1.402 0.000 0.714 186 K HN 0.220 nan 8.250 nan 0.000 0.440 187 L N 0.370 121.225 121.223 -0.613 0.000 2.046 187 L HA -0.222 4.117 4.340 -0.002 0.000 0.208 187 L C 2.745 179.637 176.870 0.037 0.000 1.077 187 L CA 1.227 56.006 54.840 -0.102 0.000 0.747 187 L CB -0.409 41.703 42.059 0.089 0.000 0.896 187 L HN 0.438 nan 8.230 nan 0.000 0.432 188 H N -0.248 118.774 119.070 -0.079 0.000 2.321 188 H HA -0.148 4.407 4.556 -0.003 0.000 0.300 188 H C 1.920 177.227 175.328 -0.034 0.000 1.087 188 H CA 1.847 57.870 56.048 -0.040 0.000 1.319 188 H CB 0.030 29.760 29.762 -0.053 0.000 1.379 188 H HN 0.353 nan 8.280 nan 0.000 0.501 189 G N -0.318 108.508 108.800 0.044 0.000 2.433 189 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.216 189 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.216 189 G C 1.753 176.650 174.900 -0.005 0.000 1.186 189 G CA 0.785 45.893 45.100 0.013 0.000 0.779 189 G HN 0.548 nan 8.290 nan 0.000 0.543 190 Y N 1.076 121.339 120.300 -0.061 0.000 2.114 190 Y HA -0.137 4.412 4.550 -0.001 0.000 0.282 190 Y C 2.491 178.419 175.900 0.047 0.000 1.165 190 Y CA 1.775 59.921 58.100 0.077 0.000 1.148 190 Y CB -0.227 38.417 38.460 0.307 0.000 0.972 190 Y HN 0.120 nan 8.280 nan 0.000 0.504 191 L N -1.218 119.997 121.223 -0.013 0.000 2.240 191 L HA -0.142 4.197 4.340 -0.002 0.000 0.211 191 L C 2.511 179.254 176.870 -0.211 0.000 1.106 191 L CA 0.967 55.734 54.840 -0.121 0.000 0.793 191 L CB -0.481 41.575 42.059 -0.005 0.000 0.927 191 L HN 0.106 nan 8.230 nan 0.000 0.446 192 S N -0.026 115.528 115.700 -0.243 0.000 2.348 192 S HA -0.194 4.274 4.470 -0.002 0.000 0.221 192 S C 1.503 176.003 174.600 -0.167 0.000 1.033 192 S CA 1.576 59.643 58.200 -0.221 0.000 1.010 192 S CB -0.274 62.786 63.200 -0.234 0.000 0.891 192 S HN 0.441 nan 8.310 nan 0.000 0.442 193 D N 1.513 121.810 120.400 -0.171 0.000 2.116 193 D HA -0.095 4.544 4.640 -0.002 0.000 0.193 193 D C 1.860 178.046 176.300 -0.190 0.000 0.998 193 D CA 0.634 54.542 54.000 -0.155 0.000 0.836 193 D CB -0.557 40.161 40.800 -0.137 0.000 0.951 193 D HN 0.200 nan 8.370 nan 0.000 0.449 194 L N 0.338 121.376 121.223 -0.309 0.000 2.083 194 L HA -0.128 4.211 4.340 -0.002 0.000 0.209 194 L C 2.203 178.983 176.870 -0.149 0.000 1.083 194 L CA 0.987 55.665 54.840 -0.270 0.000 0.752 194 L CB -0.230 41.584 42.059 -0.408 0.000 0.899 194 L HN 0.093 nan 8.230 nan 0.000 0.433 195 L N -0.693 120.448 121.223 -0.138 0.000 2.093 195 L HA -0.179 4.159 4.340 -0.002 0.000 0.208 195 L C 2.685 179.513 176.870 -0.070 0.000 1.085 195 L CA 0.781 55.568 54.840 -0.090 0.000 0.755 195 L CB -0.500 41.508 42.059 -0.086 0.000 0.904 195 L HN 0.216 nan 8.230 nan 0.000 0.435 196 E N 0.360 120.515 120.200 -0.075 0.000 2.033 196 E HA -0.284 4.065 4.350 -0.002 0.000 0.199 196 E C 2.216 178.789 176.600 -0.044 0.000 1.011 196 E CA 1.298 57.666 56.400 -0.054 0.000 0.815 196 E CB -0.232 29.436 29.700 -0.052 0.000 0.755 196 E HN 0.306 nan 8.360 nan 0.000 0.451 197 R N 0.858 121.327 120.500 -0.052 0.000 2.154 197 R HA -0.171 4.168 4.340 -0.002 0.000 0.248 197 R C 2.055 178.337 176.300 -0.031 0.000 1.155 197 R CA 1.729 57.806 56.100 -0.039 0.000 0.979 197 R CB 0.040 30.312 30.300 -0.047 0.000 0.869 197 R HN 0.034 nan 8.270 nan 0.000 0.452 198 K N -0.278 120.099 120.400 -0.037 0.000 2.365 198 K HA -0.072 4.247 4.320 -0.002 0.000 0.197 198 K C 1.988 178.574 176.600 -0.022 0.000 1.042 198 K CA 0.979 57.249 56.287 -0.027 0.000 0.987 198 K CB 0.166 32.648 32.500 -0.031 0.000 0.779 198 K HN 0.363 nan 8.250 nan 0.000 0.484 199 R N 0.164 120.649 120.500 -0.024 0.000 2.119 199 R HA 0.021 4.360 4.340 -0.002 0.000 0.222 199 R C 1.750 178.041 176.300 -0.015 0.000 1.088 199 R CA 1.294 57.383 56.100 -0.019 0.000 0.984 199 R CB -0.804 29.484 30.300 -0.020 0.000 0.884 199 R HN -0.100 nan 8.270 nan 0.000 0.447 200 T N 0.581 115.127 114.554 -0.014 0.000 2.777 200 T HA -0.139 4.210 4.350 -0.002 0.000 0.266 200 T C 0.612 175.307 174.700 -0.008 0.000 1.040 200 T CA 1.393 63.487 62.100 -0.010 0.000 1.141 200 T CB -0.015 68.847 68.868 -0.010 0.000 0.868 200 T HN 0.343 nan 8.240 nan 0.000 0.444 201 E N 1.741 121.936 120.200 -0.009 0.000 2.873 201 E HA 0.236 4.584 4.350 -0.002 0.000 0.232 201 E C -2.614 173.982 176.600 -0.007 0.000 1.123 201 E CA -2.166 54.230 56.400 -0.006 0.000 0.809 201 E CB 1.242 30.940 29.700 -0.003 0.000 1.366 201 E HN 0.190 nan 8.360 nan 0.000 0.400 202 P HA 0.104 nan 4.420 nan 0.000 0.274 202 P C -0.671 176.625 177.300 -0.007 0.000 1.264 202 P CA 0.057 63.151 63.100 -0.009 0.000 0.795 202 P CB 0.906 32.600 31.700 -0.010 0.000 1.064 203 D N -2.690 117.705 120.400 -0.008 0.000 2.812 203 D HA 0.195 4.834 4.640 -0.002 0.000 0.318 203 D C -0.417 175.876 176.300 -0.011 0.000 1.234 203 D CA -0.446 53.549 54.000 -0.007 0.000 0.989 203 D CB -0.415 40.383 40.800 -0.003 0.000 1.442 203 D HN 0.118 nan 8.370 nan 0.000 0.537 204 D N -1.161 119.231 120.400 -0.013 0.000 2.328 204 D HA 0.365 5.003 4.640 -0.002 0.000 0.221 204 D C -0.265 176.020 176.300 -0.026 0.000 1.072 204 D CA -0.033 53.956 54.000 -0.019 0.000 0.850 204 D CB 0.041 40.830 40.800 -0.018 0.000 0.922 204 D HN 0.576 nan 8.370 nan 0.000 0.516 205 A N -0.317 122.489 122.820 -0.022 0.000 2.269 205 A HA 0.425 4.743 4.320 -0.002 0.000 0.327 205 A C 1.159 178.726 177.584 -0.028 0.000 1.112 205 A CA -0.611 51.409 52.037 -0.028 0.000 0.865 205 A CB 0.586 19.575 19.000 -0.018 0.000 1.227 205 A HN 0.208 nan 8.150 nan 0.000 0.498 206 L N 0.263 121.466 121.223 -0.034 0.000 2.013 206 L HA -0.188 4.151 4.340 -0.002 0.000 0.212 206 L C 2.086 178.951 176.870 -0.007 0.000 1.073 206 L CA 1.633 56.456 54.840 -0.028 0.000 0.753 206 L CB -0.310 41.735 42.059 -0.024 0.000 0.890 206 L HN 0.793 nan 8.230 nan 0.000 0.432 207 L N -1.419 119.803 121.223 -0.003 0.000 2.131 207 L HA -0.225 4.114 4.340 -0.002 0.000 0.210 207 L C 2.630 179.493 176.870 -0.012 0.000 1.092 207 L CA 1.125 55.962 54.840 -0.005 0.000 0.759 207 L CB -0.557 41.496 42.059 -0.011 0.000 0.903 207 L HN 0.239 nan 8.230 nan 0.000 0.435 208 S N -0.590 115.102 115.700 -0.014 0.000 2.368 208 S HA -0.143 4.326 4.470 -0.002 0.000 0.224 208 S C 2.192 176.783 174.600 -0.014 0.000 1.029 208 S CA 1.510 59.701 58.200 -0.015 0.000 0.988 208 S CB 0.006 63.197 63.200 -0.015 0.000 0.838 208 S HN 0.429 nan 8.310 nan 0.000 0.462 209 S N 1.865 117.556 115.700 -0.015 0.000 2.368 209 S HA 0.014 4.482 4.470 -0.002 0.000 0.225 209 S C 1.803 176.397 174.600 -0.009 0.000 1.030 209 S CA 0.962 59.154 58.200 -0.014 0.000 0.999 209 S CB -0.445 62.743 63.200 -0.019 0.000 0.844 209 S HN 0.381 nan 8.310 nan 0.000 0.459 210 L N 0.593 121.813 121.223 -0.005 0.000 2.056 210 L HA -0.051 4.287 4.340 -0.002 0.000 0.207 210 L C 2.416 179.282 176.870 -0.007 0.000 1.078 210 L CA 0.657 55.496 54.840 -0.001 0.000 0.749 210 L CB -0.529 41.535 42.059 0.007 0.000 0.901 210 L HN 0.257 nan 8.230 nan 0.000 0.433 211 L N 0.392 121.608 121.223 -0.011 0.000 2.042 211 L HA -0.171 4.168 4.340 -0.002 0.000 0.210 211 L C 2.649 179.512 176.870 -0.013 0.000 1.076 211 L CA 1.989 56.819 54.840 -0.015 0.000 0.749 211 L CB -0.699 41.348 42.059 -0.020 0.000 0.893 211 L HN 0.163 nan 8.230 nan 0.000 0.432 212 A N -1.465 121.348 122.820 -0.012 0.000 1.933 212 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 212 A C 2.255 179.834 177.584 -0.009 0.000 1.175 212 A CA 1.942 53.972 52.037 -0.010 0.000 0.628 212 A CB -0.957 18.037 19.000 -0.011 0.000 0.814 212 A HN 0.306 nan 8.150 nan 0.000 0.444 213 V N -0.904 119.006 119.914 -0.008 0.000 2.283 213 V HA -0.181 3.937 4.120 -0.002 0.000 0.243 213 V C 2.758 178.848 176.094 -0.006 0.000 1.039 213 V CA 2.204 64.500 62.300 -0.006 0.000 1.016 213 V CB -0.805 31.016 31.823 -0.004 0.000 0.650 213 V HN 0.623 nan 8.190 nan 0.000 0.449 214 S N -0.365 115.332 115.700 -0.006 0.000 2.383 214 S HA -0.256 4.213 4.470 -0.002 0.000 0.229 214 S C 1.731 176.327 174.600 -0.007 0.000 1.030 214 S CA 2.011 60.207 58.200 -0.006 0.000 1.002 214 S CB -0.445 62.750 63.200 -0.009 0.000 0.829 214 S HN 0.646 nan 8.310 nan 0.000 0.467 215 D N 0.604 120.999 120.400 -0.008 0.000 2.149 215 D HA 0.025 4.664 4.640 -0.002 0.000 0.201 215 D C 1.947 178.243 176.300 -0.006 0.000 0.972 215 D CA 0.955 54.950 54.000 -0.008 0.000 0.835 215 D CB -0.287 40.507 40.800 -0.010 0.000 0.966 215 D HN 0.444 nan 8.370 nan 0.000 0.476 216 M N -0.409 119.187 119.600 -0.006 0.000 2.229 216 M HA -0.097 4.382 4.480 -0.002 0.000 0.264 216 M C -0.050 176.247 176.300 -0.004 0.000 1.063 216 M CA 0.997 56.294 55.300 -0.005 0.000 1.114 216 M CB 0.387 32.984 32.600 -0.005 0.000 1.387 216 M HN -0.199 nan 8.290 nan 0.000 0.420 217 D N -1.047 119.350 120.400 -0.004 0.000 2.312 217 D HA 0.182 4.821 4.640 -0.002 0.000 0.229 217 D C 0.385 176.684 176.300 -0.002 0.000 1.337 217 D CA -0.023 53.976 54.000 -0.003 0.000 0.964 217 D CB 0.679 41.477 40.800 -0.003 0.000 1.456 217 D HN 0.145 nan 8.370 nan 0.000 0.547 218 G N 1.705 110.504 108.800 -0.001 0.000 2.653 218 G HA2 -0.169 3.789 3.960 -0.002 0.000 0.212 218 G HA3 -0.169 3.789 3.960 -0.002 0.000 0.212 218 G C 0.817 175.718 174.900 0.002 0.000 1.138 218 G CA 0.346 45.447 45.100 0.001 0.000 0.782 218 G HN 0.420 nan 8.290 nan 0.000 0.535 219 D N -0.452 119.948 120.400 0.001 0.000 2.388 219 D HA 0.069 4.708 4.640 -0.002 0.000 0.208 219 D C 2.418 178.717 176.300 -0.000 0.000 1.035 219 D CA -0.095 53.906 54.000 0.001 0.000 0.875 219 D CB 0.219 41.020 40.800 0.001 0.000 0.984 219 D HN 0.224 nan 8.370 nan 0.000 0.508 220 R N -0.017 120.482 120.500 -0.002 0.000 2.073 220 R HA 0.118 4.456 4.340 -0.002 0.000 0.229 220 R C 0.484 176.782 176.300 -0.004 0.000 1.120 220 R CA 0.719 56.817 56.100 -0.004 0.000 0.967 220 R CB 0.682 30.979 30.300 -0.005 0.000 0.862 220 R HN 0.020 nan 8.270 nan 0.000 0.436 221 L N 1.200 122.422 121.223 -0.002 0.000 2.676 221 L HA 0.167 4.506 4.340 -0.002 0.000 0.262 221 L C -0.856 176.015 176.870 0.001 0.000 0.965 221 L CA -0.213 54.626 54.840 -0.000 0.000 0.920 221 L CB 1.639 43.697 42.059 -0.001 0.000 1.260 221 L HN 0.152 nan 8.230 nan 0.000 0.422 222 S N 2.426 118.129 115.700 0.005 0.000 2.614 222 S HA 0.132 4.601 4.470 -0.002 0.000 0.265 222 S C 0.895 175.498 174.600 0.006 0.000 1.303 222 S CA 0.018 58.223 58.200 0.007 0.000 1.000 222 S CB 1.808 65.015 63.200 0.012 0.000 0.935 222 S HN 0.696 nan 8.310 nan 0.000 0.551 223 Q N 0.687 120.491 119.800 0.007 0.000 2.077 223 Q HA -0.187 4.152 4.340 -0.002 0.000 0.206 223 Q C 1.771 177.778 176.000 0.011 0.000 0.989 223 Q CA 2.241 58.046 55.803 0.003 0.000 0.853 223 Q CB -0.465 28.276 28.738 0.006 0.000 0.907 223 Q HN 0.799 nan 8.270 nan 0.000 0.418 224 E N 0.265 120.487 120.200 0.036 0.000 2.107 224 E HA -0.141 4.207 4.350 -0.002 0.000 0.191 224 E C 1.912 178.541 176.600 0.048 0.000 0.982 224 E CA 1.086 57.527 56.400 0.068 0.000 0.809 224 E CB -0.083 29.663 29.700 0.076 0.000 0.756 224 E HN 0.598 nan 8.360 nan 0.000 0.459 225 E N 0.347 120.563 120.200 0.028 0.000 2.204 225 E HA -0.148 4.201 4.350 -0.002 0.000 0.194 225 E C 2.041 178.648 176.600 0.012 0.000 0.989 225 E CA 0.401 56.812 56.400 0.020 0.000 0.824 225 E CB -0.001 29.707 29.700 0.014 0.000 0.756 225 E HN 0.048 nan 8.360 nan 0.000 0.477 226 L N 0.056 121.281 121.223 0.004 0.000 2.095 226 L HA -0.098 4.241 4.340 -0.002 0.000 0.204 226 L C 2.092 178.951 176.870 -0.018 0.000 1.080 226 L CA 1.138 55.974 54.840 -0.007 0.000 0.759 226 L CB -0.109 41.941 42.059 -0.015 0.000 0.914 226 L HN -0.085 nan 8.230 nan 0.000 0.439 227 V N 0.358 120.251 119.914 -0.035 0.000 2.407 227 V HA -0.246 3.872 4.120 -0.002 0.000 0.248 227 V C 2.779 178.866 176.094 -0.013 0.000 1.055 227 V CA 1.587 63.844 62.300 -0.071 0.000 1.049 227 V CB -1.330 30.376 31.823 -0.194 0.000 0.662 227 V HN 0.600 nan 8.190 nan 0.000 0.455 228 A N -0.589 122.244 122.820 0.022 0.000 1.929 228 A HA -0.183 4.136 4.320 -0.002 0.000 0.216 228 A C 2.130 179.727 177.584 0.021 0.000 1.176 228 A CA 1.969 54.027 52.037 0.035 0.000 0.628 228 A CB -0.460 18.561 19.000 0.036 0.000 0.816 228 A HN 0.463 nan 8.150 nan 0.000 0.444 229 M N 0.467 120.076 119.600 0.016 0.000 2.086 229 M HA -0.048 4.431 4.480 -0.002 0.000 0.261 229 M C 2.132 178.443 176.300 0.018 0.000 1.067 229 M CA 1.887 57.197 55.300 0.016 0.000 1.116 229 M CB -0.554 32.056 32.600 0.017 0.000 1.348 229 M HN 0.353 nan 8.290 nan 0.000 0.407 230 A N -0.097 122.730 122.820 0.012 0.000 1.902 230 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 230 A C 2.365 179.956 177.584 0.012 0.000 1.181 230 A CA 2.116 54.159 52.037 0.010 0.000 0.623 230 A CB -0.896 18.100 19.000 -0.007 0.000 0.818 230 A HN 0.702 nan 8.150 nan 0.000 0.443 231 M N -1.089 118.522 119.600 0.018 0.000 2.099 231 M HA -0.117 4.362 4.480 -0.002 0.000 0.262 231 M C 2.096 178.413 176.300 0.028 0.000 1.067 231 M CA 1.907 57.226 55.300 0.031 0.000 1.124 231 M CB -0.225 32.403 32.600 0.047 0.000 1.353 231 M HN 0.419 nan 8.290 nan 0.000 0.410 232 L N 1.090 122.326 121.223 0.022 0.000 1.971 232 L HA -0.231 4.107 4.340 -0.002 0.000 0.215 232 L C 2.067 178.943 176.870 0.011 0.000 1.072 232 L CA 2.031 56.880 54.840 0.016 0.000 0.758 232 L CB -1.031 41.033 42.059 0.007 0.000 0.889 232 L HN 0.383 nan 8.230 nan 0.000 0.433 233 L N -1.238 119.988 121.223 0.006 0.000 2.042 233 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 233 L C 2.619 179.519 176.870 0.049 0.000 1.076 233 L CA 1.629 56.476 54.840 0.011 0.000 0.749 233 L CB -0.711 41.377 42.059 0.047 0.000 0.893 233 L HN 0.403 nan 8.230 nan 0.000 0.432 234 L N 0.050 121.299 121.223 0.043 0.000 1.990 234 L HA -0.278 4.061 4.340 -0.002 0.000 0.213 234 L C 2.540 179.493 176.870 0.139 0.000 1.072 234 L CA 1.687 56.563 54.840 0.061 0.000 0.755 234 L CB -0.150 41.879 42.059 -0.050 0.000 0.889 234 L HN 0.112 nan 8.230 nan 0.000 0.432 235 I N -0.202 120.412 120.570 0.073 0.000 2.163 235 I HA -0.316 3.852 4.170 -0.002 0.000 0.243 235 I C 2.720 178.917 176.117 0.133 0.000 1.085 235 I CA 1.246 62.600 61.300 0.091 0.000 1.347 235 I CB -0.578 37.461 38.000 0.066 0.000 1.044 235 I HN 0.367 nan 8.210 nan 0.000 0.408 236 A N 0.785 123.658 122.820 0.090 0.000 1.972 236 A HA -0.130 4.189 4.320 -0.002 0.000 0.219 236 A C 2.404 180.039 177.584 0.086 0.000 1.169 236 A CA 1.841 53.920 52.037 0.071 0.000 0.635 236 A CB -1.348 17.658 19.000 0.010 0.000 0.810 236 A HN 0.488 nan 8.150 nan 0.000 0.446 237 G N -1.994 106.872 108.800 0.110 0.000 2.443 237 G HA2 -0.109 3.849 3.960 -0.002 0.000 0.219 237 G HA3 -0.109 3.849 3.960 -0.002 0.000 0.219 237 G C 1.291 176.188 174.900 -0.006 0.000 1.131 237 G CA 1.181 46.319 45.100 0.064 0.000 0.775 237 G HN 0.691 nan 8.290 nan 0.000 0.547 238 H N -0.642 118.434 119.070 0.010 0.000 2.582 238 H HA 0.247 4.802 4.556 -0.003 0.000 0.269 238 H C 1.496 176.897 175.328 0.122 0.000 0.962 238 H CA 0.691 56.754 56.048 0.025 0.000 1.230 238 H CB 0.723 30.571 29.762 0.144 0.000 1.445 238 H HN 0.236 nan 8.280 nan 0.000 0.528 239 E N -0.496 119.837 120.200 0.223 0.000 2.630 239 E HA 0.094 4.443 4.350 -0.002 0.000 0.218 239 E C 0.969 177.661 176.600 0.155 0.000 0.977 239 E CA 0.680 57.200 56.400 0.199 0.000 1.038 239 E CB 0.965 30.772 29.700 0.179 0.000 1.051 239 E HN 0.546 nan 8.360 nan 0.000 0.487 240 T N -2.920 111.713 114.554 0.131 0.000 3.393 240 T HA 0.015 4.364 4.350 -0.002 0.000 0.231 240 T C 1.982 176.754 174.700 0.120 0.000 0.983 240 T CA 0.752 62.928 62.100 0.127 0.000 1.272 240 T CB -0.494 68.448 68.868 0.124 0.000 1.214 240 T HN -0.160 nan 8.240 nan 0.000 0.368 241 T N 2.539 117.153 114.554 0.099 0.000 2.759 241 T HA -0.095 4.253 4.350 -0.002 0.000 0.269 241 T C 2.000 176.742 174.700 0.071 0.000 1.042 241 T CA 1.381 63.533 62.100 0.087 0.000 1.140 241 T CB -0.823 68.076 68.868 0.053 0.000 0.864 241 T HN 0.277 nan 8.240 nan 0.000 0.455 242 V N 2.569 122.523 119.914 0.065 0.000 2.370 242 V HA -0.261 3.858 4.120 -0.002 0.000 0.252 242 V C 1.833 177.990 176.094 0.105 0.000 1.068 242 V CA 2.013 64.366 62.300 0.088 0.000 1.061 242 V CB -0.488 31.435 31.823 0.167 0.000 0.656 242 V HN 0.477 nan 8.190 nan 0.000 0.455 243 N N -0.469 118.300 118.700 0.116 0.000 2.415 243 N HA 0.004 4.743 4.740 -0.002 0.000 0.176 243 N C 1.537 177.115 175.510 0.113 0.000 1.042 243 N CA 1.172 54.295 53.050 0.122 0.000 0.902 243 N CB -0.041 38.532 38.487 0.143 0.000 0.986 243 N HN 0.512 nan 8.380 nan 0.000 0.447 244 L N 1.664 122.950 121.223 0.105 0.000 2.017 244 L HA -0.014 4.325 4.340 -0.002 0.000 0.208 244 L C 1.863 178.787 176.870 0.091 0.000 1.073 244 L CA 1.415 56.316 54.840 0.101 0.000 0.745 244 L CB -0.692 41.432 42.059 0.109 0.000 0.894 244 L HN 0.006 nan 8.230 nan 0.000 0.432 245 I N -0.378 120.244 120.570 0.087 0.000 2.142 245 I HA -0.222 3.946 4.170 -0.002 0.000 0.240 245 I C 2.560 178.721 176.117 0.073 0.000 1.078 245 I CA 1.444 62.795 61.300 0.085 0.000 1.343 245 I CB -1.382 36.661 38.000 0.072 0.000 1.046 245 I HN 0.412 nan 8.210 nan 0.000 0.405 246 G N 1.028 109.875 108.800 0.078 0.000 2.446 246 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.217 246 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.217 246 G C 1.426 176.357 174.900 0.051 0.000 1.168 246 G CA 1.004 46.144 45.100 0.065 0.000 0.771 246 G HN 0.309 nan 8.290 nan 0.000 0.551 247 N N 0.981 119.723 118.700 0.069 0.000 2.270 247 N HA -0.030 4.709 4.740 -0.002 0.000 0.181 247 N C 2.277 177.753 175.510 -0.056 0.000 1.016 247 N CA 1.219 54.322 53.050 0.088 0.000 0.870 247 N CB -0.669 37.910 38.487 0.153 0.000 0.979 247 N HN 0.322 nan 8.380 nan 0.000 0.431 248 G N 0.533 109.199 108.800 -0.223 0.000 2.396 248 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.214 248 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.214 248 G C 1.670 176.091 174.900 -0.800 0.000 1.166 248 G CA 0.475 45.027 45.100 -0.914 0.000 0.793 248 G HN 0.145 nan 8.290 nan 0.000 0.533 249 V N 0.923 120.692 119.914 -0.241 0.000 2.287 249 V HA -0.178 3.940 4.120 -0.002 0.000 0.248 249 V C 2.713 178.832 176.094 0.042 0.000 1.053 249 V CA 1.801 64.136 62.300 0.058 0.000 1.027 249 V CB -0.533 31.377 31.823 0.146 0.000 0.646 249 V HN 0.339 nan 8.190 nan 0.000 0.447 250 L N 0.527 121.757 121.223 0.012 0.000 2.131 250 L HA -0.065 4.274 4.340 -0.002 0.000 0.210 250 L C 2.413 179.330 176.870 0.080 0.000 1.092 250 L CA 2.155 57.035 54.840 0.067 0.000 0.759 250 L CB -0.847 41.272 42.059 0.099 0.000 0.903 250 L HN 0.233 nan 8.230 nan 0.000 0.435 251 A N -0.544 122.268 122.820 -0.014 0.000 1.877 251 A HA -0.179 4.140 4.320 -0.002 0.000 0.216 251 A C 2.252 179.852 177.584 0.026 0.000 1.186 251 A CA 2.004 54.047 52.037 0.010 0.000 0.620 251 A CB -0.847 18.047 19.000 -0.177 0.000 0.822 251 A HN 0.476 nan 8.150 nan 0.000 0.443 252 L N -0.647 120.496 121.223 -0.133 0.000 2.056 252 L HA -0.156 4.183 4.340 -0.002 0.000 0.207 252 L C 2.541 179.438 176.870 0.045 0.000 1.078 252 L CA 0.967 55.737 54.840 -0.116 0.000 0.749 252 L CB -0.505 41.280 42.059 -0.456 0.000 0.901 252 L HN 0.379 nan 8.230 nan 0.000 0.433 253 L N -0.430 120.872 121.223 0.132 0.000 2.131 253 L HA -0.173 4.166 4.340 -0.002 0.000 0.210 253 L C 2.586 179.508 176.870 0.088 0.000 1.092 253 L CA 1.855 56.782 54.840 0.145 0.000 0.759 253 L CB -0.820 41.322 42.059 0.138 0.000 0.903 253 L HN 0.469 nan 8.230 nan 0.000 0.435 254 T N -5.241 109.373 114.554 0.100 0.000 3.081 254 T HA -0.021 4.328 4.350 -0.002 0.000 0.250 254 T C 0.381 174.958 174.700 -0.205 0.000 1.100 254 T CA 0.086 62.184 62.100 -0.003 0.000 1.038 254 T CB -0.228 68.659 68.868 0.031 0.000 0.962 254 T HN 0.254 nan 8.240 nan 0.000 0.516 255 H N 1.376 120.433 119.070 -0.021 0.000 2.418 255 H HA 0.386 4.940 4.556 -0.002 0.000 0.238 255 H C -2.133 173.171 175.328 -0.041 0.000 1.403 255 H CA -2.158 53.863 56.048 -0.045 0.000 1.419 255 H CB 1.227 30.930 29.762 -0.099 0.000 1.463 255 H HN 0.095 nan 8.280 nan 0.000 0.515 256 P HA -0.238 nan 4.420 nan 0.000 0.216 256 P C 1.468 178.780 177.300 0.019 0.000 1.150 256 P CA 1.505 64.620 63.100 0.025 0.000 0.843 256 P CB 0.421 32.127 31.700 0.010 0.000 0.787 257 D N -0.476 119.937 120.400 0.021 0.000 2.116 257 D HA -0.234 4.405 4.640 -0.002 0.000 0.193 257 D C 1.622 177.918 176.300 -0.007 0.000 0.998 257 D CA 1.444 55.449 54.000 0.008 0.000 0.836 257 D CB -0.902 39.905 40.800 0.011 0.000 0.951 257 D HN 0.158 nan 8.370 nan 0.000 0.449 258 Q N 0.326 120.125 119.800 -0.003 0.000 2.123 258 Q HA -0.039 4.299 4.340 -0.002 0.000 0.199 258 Q C 2.390 178.354 176.000 -0.060 0.000 0.966 258 Q CA 0.556 56.332 55.803 -0.045 0.000 0.845 258 Q CB -0.404 28.288 28.738 -0.076 0.000 0.907 258 Q HN 0.471 nan 8.270 nan 0.000 0.439 259 R N 1.210 121.676 120.500 -0.058 0.000 2.083 259 R HA -0.153 4.186 4.340 -0.002 0.000 0.237 259 R C 2.211 178.475 176.300 -0.060 0.000 1.137 259 R CA 1.674 57.709 56.100 -0.108 0.000 0.951 259 R CB -0.021 30.244 30.300 -0.059 0.000 0.851 259 R HN 0.086 nan 8.270 nan 0.000 0.434 260 K N 0.535 120.921 120.400 -0.024 0.000 2.032 260 K HA -0.151 4.167 4.320 -0.002 0.000 0.209 260 K C 2.226 178.814 176.600 -0.020 0.000 1.048 260 K CA 1.576 57.857 56.287 -0.011 0.000 0.927 260 K CB -0.170 32.328 32.500 -0.004 0.000 0.712 260 K HN 0.203 nan 8.250 nan 0.000 0.441 261 L N 0.746 121.950 121.223 -0.031 0.000 2.043 261 L HA -0.244 4.095 4.340 -0.002 0.000 0.212 261 L C 2.561 179.408 176.870 -0.038 0.000 1.075 261 L CA 0.915 55.733 54.840 -0.037 0.000 0.752 261 L CB -0.497 41.532 42.059 -0.050 0.000 0.891 261 L HN 0.301 nan 8.230 nan 0.000 0.432 262 L N -0.162 121.030 121.223 -0.052 0.000 2.093 262 L HA -0.080 4.259 4.340 -0.002 0.000 0.208 262 L C 2.593 179.451 176.870 -0.019 0.000 1.085 262 L CA 1.823 56.633 54.840 -0.049 0.000 0.755 262 L CB -0.578 41.429 42.059 -0.086 0.000 0.904 262 L HN 0.126 nan 8.230 nan 0.000 0.435 263 A N -0.636 122.178 122.820 -0.011 0.000 1.902 263 A HA -0.213 4.105 4.320 -0.002 0.000 0.217 263 A C 2.161 179.753 177.584 0.014 0.000 1.181 263 A CA 1.840 53.889 52.037 0.019 0.000 0.623 263 A CB -0.582 18.436 19.000 0.031 0.000 0.818 263 A HN 0.601 nan 8.150 nan 0.000 0.443 264 E N -0.925 119.276 120.200 0.003 0.000 2.107 264 E HA -0.109 4.239 4.350 -0.002 0.000 0.191 264 E C -0.095 176.504 176.600 -0.001 0.000 0.982 264 E CA 1.013 57.414 56.400 0.001 0.000 0.809 264 E CB 0.085 29.782 29.700 -0.005 0.000 0.756 264 E HN 0.493 nan 8.360 nan 0.000 0.459 265 D N -0.783 119.613 120.400 -0.007 0.000 2.378 265 D HA 0.130 4.769 4.640 -0.002 0.000 0.265 265 D C -2.209 174.088 176.300 -0.006 0.000 1.229 265 D CA -2.425 51.571 54.000 -0.007 0.000 0.914 265 D CB 1.129 41.920 40.800 -0.014 0.000 1.140 265 D HN -0.249 nan 8.370 nan 0.000 0.516 266 P HA -0.127 nan 4.420 nan 0.000 0.219 266 P C 1.448 178.755 177.300 0.012 0.000 1.146 266 P CA 0.639 63.749 63.100 0.017 0.000 0.808 266 P CB 0.344 32.062 31.700 0.030 0.000 0.779 267 S N -0.983 114.720 115.700 0.005 0.000 2.440 267 S HA -0.108 4.360 4.470 -0.002 0.000 0.240 267 S C 1.536 176.129 174.600 -0.011 0.000 1.014 267 S CA 0.735 58.935 58.200 0.001 0.000 0.980 267 S CB -1.000 62.199 63.200 -0.001 0.000 0.775 267 S HN 0.091 nan 8.310 nan 0.000 0.499 268 L N 0.753 121.961 121.223 -0.024 0.000 2.622 268 L HA 0.016 4.355 4.340 -0.002 0.000 0.233 268 L C 1.981 178.811 176.870 -0.067 0.000 1.156 268 L CA 0.041 54.850 54.840 -0.051 0.000 0.866 268 L CB -0.372 41.648 42.059 -0.065 0.000 0.980 268 L HN 0.355 nan 8.230 nan 0.000 0.448 269 I N -0.601 119.951 120.570 -0.032 0.000 2.286 269 I HA -0.275 3.894 4.170 -0.002 0.000 0.248 269 I C 2.450 178.543 176.117 -0.041 0.000 1.115 269 I CA 1.518 62.807 61.300 -0.018 0.000 1.392 269 I CB -0.033 37.992 38.000 0.043 0.000 1.065 269 I HN 0.093 nan 8.210 nan 0.000 0.418 270 S N -0.535 115.151 115.700 -0.024 0.000 2.356 270 S HA -0.194 4.274 4.470 -0.002 0.000 0.223 270 S C 2.147 176.712 174.600 -0.059 0.000 1.032 270 S CA 1.578 59.769 58.200 -0.014 0.000 1.005 270 S CB -0.557 62.650 63.200 0.011 0.000 0.867 270 S HN 0.630 nan 8.310 nan 0.000 0.449 271 S N 1.364 117.015 115.700 -0.082 0.000 2.402 271 S HA 0.002 4.471 4.470 -0.002 0.000 0.229 271 S C 2.011 176.461 174.600 -0.250 0.000 1.021 271 S CA 1.072 59.202 58.200 -0.118 0.000 0.974 271 S CB -0.413 62.730 63.200 -0.095 0.000 0.800 271 S HN 0.492 nan 8.310 nan 0.000 0.484 272 A N 0.822 123.442 122.820 -0.334 0.000 1.902 272 A HA -0.002 4.317 4.320 -0.002 0.000 0.217 272 A C 2.328 179.249 177.584 -1.105 0.000 1.181 272 A CA 1.785 53.389 52.037 -0.720 0.000 0.623 272 A CB -1.035 17.634 19.000 -0.552 0.000 0.818 272 A HN 0.458 nan 8.150 nan 0.000 0.443 273 V N 0.308 119.906 119.914 -0.527 0.000 2.427 273 V HA -0.179 3.940 4.120 -0.002 0.000 0.248 273 V C 2.504 178.436 176.094 -0.270 0.000 1.051 273 V CA 1.984 64.127 62.300 -0.263 0.000 1.048 273 V CB -0.649 31.176 31.823 0.003 0.000 0.666 273 V HN 0.512 nan 8.190 nan 0.000 0.456 274 E N -0.010 120.051 120.200 -0.231 0.000 2.110 274 E HA -0.243 4.106 4.350 -0.002 0.000 0.193 274 E C 2.180 178.650 176.600 -0.216 0.000 0.988 274 E CA 1.364 57.657 56.400 -0.178 0.000 0.804 274 E CB -0.131 29.575 29.700 0.010 0.000 0.745 274 E HN 0.666 nan 8.360 nan 0.000 0.458 275 E N 0.312 120.336 120.200 -0.294 0.000 2.107 275 E HA -0.083 4.265 4.350 -0.002 0.000 0.191 275 E C 1.886 178.425 176.600 -0.101 0.000 0.982 275 E CA 0.851 57.115 56.400 -0.226 0.000 0.809 275 E CB -0.390 29.109 29.700 -0.335 0.000 0.756 275 E HN 0.285 nan 8.360 nan 0.000 0.459 276 F N 0.205 120.109 119.950 -0.077 0.000 2.134 276 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 276 F C 2.182 177.944 175.800 -0.064 0.000 1.097 276 F CA 0.400 58.384 58.000 -0.025 0.000 1.264 276 F CB -0.290 38.690 39.000 -0.033 0.000 1.001 276 F HN 0.003 nan 8.300 nan 0.000 0.479 277 L N 0.053 121.197 121.223 -0.131 0.000 2.043 277 L HA -0.265 4.074 4.340 -0.002 0.000 0.212 277 L C 2.705 179.412 176.870 -0.273 0.000 1.075 277 L CA 1.464 55.981 54.840 -0.538 0.000 0.752 277 L CB -0.535 40.600 42.059 -1.541 0.000 0.891 277 L HN 0.125 nan 8.230 nan 0.000 0.432 278 R N -0.596 119.886 120.500 -0.030 0.000 2.062 278 R HA -0.169 4.170 4.340 -0.002 0.000 0.226 278 R C 2.423 178.904 176.300 0.302 0.000 1.125 278 R CA 1.339 57.649 56.100 0.349 0.000 0.966 278 R CB -0.332 30.233 30.300 0.441 0.000 0.861 278 R HN 0.195 nan 8.270 nan 0.000 0.433 279 F N 0.962 120.972 119.950 0.100 0.000 2.216 279 F HA -0.124 4.401 4.527 -0.002 0.000 0.300 279 F C 0.189 176.026 175.800 0.062 0.000 1.085 279 F CA 1.428 59.461 58.000 0.055 0.000 1.326 279 F CB 0.248 39.262 39.000 0.024 0.000 1.027 279 F HN 0.001 nan 8.300 nan 0.000 0.497 280 D N -0.131 120.368 120.400 0.165 0.000 2.978 280 D HA 0.132 4.771 4.640 -0.002 0.000 0.268 280 D C -0.964 175.448 176.300 0.186 0.000 1.252 280 D CA -0.067 54.029 54.000 0.161 0.000 0.771 280 D CB 0.429 41.340 40.800 0.185 0.000 1.361 280 D HN -0.159 nan 8.370 nan 0.000 0.558 281 S N 2.027 117.835 115.700 0.180 0.000 2.546 281 S HA 0.079 4.548 4.470 -0.002 0.000 0.290 281 S C -1.386 173.292 174.600 0.130 0.000 1.262 281 S CA -0.637 57.646 58.200 0.138 0.000 1.083 281 S CB 1.220 64.517 63.200 0.163 0.000 0.859 281 S HN 0.341 nan 8.310 nan 0.000 0.495 282 P HA -0.040 nan 4.420 nan 0.000 0.217 282 P C -0.047 177.337 177.300 0.141 0.000 1.150 282 P CA 0.691 63.868 63.100 0.128 0.000 0.832 282 P CB 0.133 31.899 31.700 0.110 0.000 0.787 283 V N 0.840 120.832 119.914 0.131 0.000 2.318 283 V HA 0.073 4.192 4.120 -0.002 0.000 0.271 283 V C 1.483 177.659 176.094 0.137 0.000 1.030 283 V CA 0.246 62.630 62.300 0.139 0.000 0.844 283 V CB 0.591 32.494 31.823 0.133 0.000 1.015 283 V HN 0.125 nan 8.190 nan 0.000 0.460 284 S N 3.995 119.792 115.700 0.161 0.000 2.377 284 S HA 0.038 4.507 4.470 -0.002 0.000 0.223 284 S C 0.595 175.268 174.600 0.123 0.000 1.030 284 S CA 0.170 58.466 58.200 0.160 0.000 0.970 284 S CB 0.012 63.365 63.200 0.255 0.000 0.830 284 S HN 0.674 nan 8.310 nan 0.000 0.473 285 Q N 0.434 120.329 119.800 0.158 0.000 2.323 285 Q HA 0.760 5.099 4.340 -0.002 0.000 0.271 285 Q C -0.727 175.321 176.000 0.080 0.000 1.048 285 Q CA -0.145 55.721 55.803 0.105 0.000 0.792 285 Q CB 1.910 30.738 28.738 0.150 0.000 1.280 285 Q HN 0.463 nan 8.270 nan 0.000 0.441 286 A N 3.492 126.340 122.820 0.046 0.000 2.520 286 A HA 0.374 4.693 4.320 -0.002 0.000 0.235 286 A C -2.052 175.530 177.584 -0.003 0.000 1.065 286 A CA -0.701 51.367 52.037 0.053 0.000 0.764 286 A CB -0.613 18.427 19.000 0.065 0.000 1.002 286 A HN 0.489 nan 8.150 nan 0.000 0.502 287 P HA 0.053 nan 4.420 nan 0.000 0.266 287 P C -0.067 177.166 177.300 -0.111 0.000 1.193 287 P CA 0.295 63.371 63.100 -0.040 0.000 0.770 287 P CB 0.150 31.829 31.700 -0.035 0.000 0.836 288 I N 2.521 123.000 120.570 -0.152 0.000 2.880 288 I HA -0.110 4.059 4.170 -0.002 0.000 0.296 288 I C 1.492 177.365 176.117 -0.406 0.000 1.220 288 I CA 0.937 62.059 61.300 -0.297 0.000 1.435 288 I CB 0.129 37.916 38.000 -0.355 0.000 1.339 288 I HN 0.279 nan 8.210 nan 0.000 0.583 289 R N 4.825 125.054 120.500 -0.452 0.000 2.856 289 R HA 0.698 5.037 4.340 -0.002 0.000 0.258 289 R C -1.455 174.499 176.300 -0.577 0.000 1.066 289 R CA -0.653 55.224 56.100 -0.372 0.000 1.045 289 R CB 1.517 31.692 30.300 -0.208 0.000 1.178 289 R HN 0.304 nan 8.270 nan 0.000 0.499 290 F N -0.566 119.388 119.950 0.005 0.000 2.540 290 F HA 0.284 4.809 4.527 -0.002 0.000 0.317 290 F C 0.197 175.957 175.800 -0.067 0.000 1.104 290 F CA -1.024 56.991 58.000 0.025 0.000 0.913 290 F CB 2.181 41.262 39.000 0.136 0.000 1.170 290 F HN 0.386 nan 8.300 nan 0.000 0.450 291 T N -0.523 114.071 114.554 0.066 0.000 2.737 291 T HA 0.454 4.803 4.350 -0.002 0.000 0.296 291 T C 0.841 175.456 174.700 -0.140 0.000 0.922 291 T CA -0.350 61.714 62.100 -0.060 0.000 1.079 291 T CB 1.482 70.296 68.868 -0.091 0.000 0.892 291 T HN 0.776 nan 8.240 nan 0.000 0.514 292 A N 2.995 125.616 122.820 -0.332 0.000 2.016 292 A HA 0.177 4.496 4.320 -0.002 0.000 0.217 292 A C 1.017 178.492 177.584 -0.181 0.000 1.162 292 A CA 0.593 52.286 52.037 -0.574 0.000 0.662 292 A CB -0.295 18.340 19.000 -0.609 0.000 0.812 292 A HN 0.982 nan 8.150 nan 0.000 0.450 293 E N -1.127 119.001 120.200 -0.120 0.000 2.456 293 E HA 0.353 4.701 4.350 -0.002 0.000 0.278 293 E C -1.867 174.690 176.600 -0.072 0.000 1.034 293 E CA -1.107 55.253 56.400 -0.066 0.000 0.846 293 E CB 0.119 29.789 29.700 -0.050 0.000 1.460 293 E HN -0.052 nan 8.360 nan 0.000 0.463 294 D N 0.779 121.141 120.400 -0.064 0.000 2.525 294 D HA 0.258 4.897 4.640 -0.002 0.000 0.235 294 D C -0.135 176.112 176.300 -0.088 0.000 1.137 294 D CA 0.389 54.340 54.000 -0.082 0.000 0.868 294 D CB 1.097 41.856 40.800 -0.068 0.000 1.180 294 D HN 0.457 nan 8.370 nan 0.000 0.465 295 V N -0.725 119.127 119.914 -0.104 0.000 2.962 295 V HA 0.789 4.908 4.120 -0.002 0.000 0.313 295 V C -0.320 175.707 176.094 -0.112 0.000 1.099 295 V CA -0.745 61.504 62.300 -0.086 0.000 0.971 295 V CB 2.400 34.248 31.823 0.042 0.000 1.028 295 V HN 0.418 nan 8.190 nan 0.000 0.430 296 T N 3.400 117.825 114.554 -0.214 0.000 2.840 296 T HA 0.725 5.074 4.350 -0.002 0.000 0.287 296 T C -1.472 173.008 174.700 -0.367 0.000 0.991 296 T CA -0.077 61.908 62.100 -0.193 0.000 0.964 296 T CB 0.893 69.666 68.868 -0.158 0.000 0.954 296 T HN 0.690 nan 8.240 nan 0.000 0.438 297 Y N 0.667 120.917 120.300 -0.084 0.000 2.406 297 Y HA 0.372 4.921 4.550 -0.002 0.000 0.340 297 Y C 0.913 176.798 175.900 -0.024 0.000 0.975 297 Y CA -0.905 57.161 58.100 -0.056 0.000 1.056 297 Y CB 2.023 40.440 38.460 -0.072 0.000 1.210 297 Y HN 0.768 nan 8.280 nan 0.000 0.448 298 S N 2.321 118.091 115.700 0.115 0.000 3.549 298 S HA -0.215 4.254 4.470 -0.002 0.000 0.366 298 S C 1.241 175.878 174.600 0.061 0.000 1.012 298 S CA 1.316 59.567 58.200 0.084 0.000 1.141 298 S CB -1.501 61.762 63.200 0.104 0.000 0.910 298 S HN 1.688 nan 8.310 nan 0.000 0.471 299 G N -1.987 106.830 108.800 0.029 0.000 2.184 299 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.264 299 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.264 299 G C 0.071 174.989 174.900 0.030 0.000 0.975 299 G CA 0.074 45.186 45.100 0.021 0.000 0.642 299 G HN 1.185 nan 8.290 nan 0.000 0.536 300 V N 1.287 121.227 119.914 0.043 0.000 2.417 300 V HA 0.600 4.718 4.120 -0.002 0.000 0.291 300 V C 0.453 176.529 176.094 -0.030 0.000 1.024 300 V CA -0.177 62.151 62.300 0.048 0.000 0.861 300 V CB 1.799 33.697 31.823 0.125 0.000 0.985 300 V HN 0.230 nan 8.190 nan 0.000 0.436 301 T N 6.807 121.327 114.554 -0.057 0.000 2.728 301 T HA 0.537 4.886 4.350 -0.002 0.000 0.296 301 T C -0.032 174.509 174.700 -0.265 0.000 0.940 301 T CA 0.042 62.069 62.100 -0.122 0.000 1.013 301 T CB 0.194 69.018 68.868 -0.073 0.000 0.912 301 T HN 0.372 nan 8.240 nan 0.000 0.484 302 I N 6.845 127.164 120.570 -0.419 0.000 2.315 302 I HA 0.281 4.450 4.170 -0.002 0.000 0.291 302 I C -2.046 173.851 176.117 -0.367 0.000 1.006 302 I CA -2.556 58.296 61.300 -0.745 0.000 1.265 302 I CB 1.309 38.677 38.000 -1.054 0.000 1.387 302 I HN 0.320 nan 8.210 nan 0.000 0.475 303 P HA 0.088 nan 4.420 nan 0.000 0.272 303 P C -0.364 176.891 177.300 -0.075 0.000 1.240 303 P CA -0.354 62.693 63.100 -0.089 0.000 0.791 303 P CB 0.536 32.236 31.700 -0.000 0.000 0.978 304 A N 1.361 124.159 122.820 -0.036 0.000 2.507 304 A HA 0.417 4.736 4.320 -0.002 0.000 0.235 304 A C 1.412 179.019 177.584 0.039 0.000 1.070 304 A CA 0.700 52.731 52.037 -0.010 0.000 0.768 304 A CB -1.485 17.516 19.000 0.002 0.000 1.011 304 A HN 0.895 nan 8.150 nan 0.000 0.502 305 G N 0.021 108.870 108.800 0.082 0.000 2.136 305 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.242 305 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.242 305 G C -0.086 174.921 174.900 0.179 0.000 0.989 305 G CA 0.428 45.612 45.100 0.140 0.000 0.682 305 G HN 0.805 nan 8.290 nan 0.000 0.522 306 E N -0.351 119.941 120.200 0.153 0.000 2.212 306 E HA 0.639 4.988 4.350 -0.002 0.000 0.270 306 E C 0.550 177.238 176.600 0.147 0.000 0.956 306 E CA -0.694 55.814 56.400 0.181 0.000 0.825 306 E CB 1.080 30.861 29.700 0.135 0.000 1.167 306 E HN 0.374 nan 8.360 nan 0.000 0.400 307 M N 1.194 120.879 119.600 0.142 0.000 2.264 307 M HA 0.370 4.849 4.480 -0.002 0.000 0.352 307 M C -0.595 175.699 176.300 -0.010 0.000 1.173 307 M CA -0.778 54.470 55.300 -0.087 0.000 1.075 307 M CB 1.410 33.953 32.600 -0.095 0.000 1.621 307 M HN 0.034 nan 8.290 nan 0.000 0.457 308 V N 4.241 124.054 119.914 -0.169 0.000 2.524 308 V HA 0.414 4.533 4.120 -0.002 0.000 0.297 308 V C -0.480 175.504 176.094 -0.184 0.000 1.035 308 V CA -0.564 61.667 62.300 -0.115 0.000 0.867 308 V CB 1.869 33.586 31.823 -0.178 0.000 1.004 308 V HN 0.898 nan 8.190 nan 0.000 0.426 309 M N 5.251 124.775 119.600 -0.127 0.000 2.188 309 M HA 0.540 5.018 4.480 -0.002 0.000 0.357 309 M C -0.798 175.404 176.300 -0.163 0.000 1.204 309 M CA -0.349 54.871 55.300 -0.134 0.000 1.095 309 M CB 1.330 33.882 32.600 -0.080 0.000 1.604 309 M HN 0.448 nan 8.290 nan 0.000 0.464 310 L N 2.664 123.752 121.223 -0.225 0.000 2.265 310 L HA 0.425 4.763 4.340 -0.002 0.000 0.288 310 L C 0.822 177.595 176.870 -0.161 0.000 1.058 310 L CA -0.638 54.028 54.840 -0.289 0.000 0.809 310 L CB 0.857 42.572 42.059 -0.573 0.000 1.179 310 L HN 0.810 nan 8.230 nan 0.000 0.429 311 G N 4.175 112.886 108.800 -0.148 0.000 2.770 311 G HA2 0.359 4.317 3.960 -0.002 0.000 0.307 311 G HA3 0.359 4.317 3.960 -0.002 0.000 0.307 311 G C 0.864 175.654 174.900 -0.182 0.000 0.863 311 G CA -0.419 44.585 45.100 -0.159 0.000 1.595 311 G HN 0.658 nan 8.290 nan 0.000 0.496 312 L N 2.042 123.204 121.223 -0.101 0.000 2.044 312 L HA -0.054 4.284 4.340 -0.002 0.000 0.205 312 L C 3.133 179.971 176.870 -0.053 0.000 1.075 312 L CA 1.251 56.072 54.840 -0.032 0.000 0.747 312 L CB -0.458 41.639 42.059 0.064 0.000 0.903 312 L HN 0.490 nan 8.230 nan 0.000 0.435 313 A N 0.495 123.243 122.820 -0.120 0.000 1.908 313 A HA -0.163 4.156 4.320 -0.002 0.000 0.218 313 A C 2.565 180.029 177.584 -0.201 0.000 1.181 313 A CA 1.880 53.861 52.037 -0.093 0.000 0.627 313 A CB -0.693 18.260 19.000 -0.078 0.000 0.818 313 A HN 0.400 nan 8.150 nan 0.000 0.445 314 A N -0.123 122.337 122.820 -0.601 0.000 1.858 314 A HA 0.169 4.488 4.320 -0.002 0.000 0.216 314 A C 2.544 180.088 177.584 -0.066 0.000 1.190 314 A CA 2.173 53.960 52.037 -0.416 0.000 0.617 314 A CB -1.156 17.496 19.000 -0.579 0.000 0.827 314 A HN 1.113 nan 8.150 nan 0.000 0.443 315 A N 0.157 122.946 122.820 -0.051 0.000 1.940 315 A HA -0.195 4.124 4.320 -0.002 0.000 0.219 315 A C 1.797 179.508 177.584 0.211 0.000 1.176 315 A CA 1.736 53.820 52.037 0.079 0.000 0.631 315 A CB -0.652 18.339 19.000 -0.014 0.000 0.814 315 A HN 0.547 nan 8.150 nan 0.000 0.446 316 N N -0.351 118.457 118.700 0.179 0.000 2.520 316 N HA -0.052 4.687 4.740 -0.002 0.000 0.185 316 N C 0.956 176.722 175.510 0.427 0.000 1.068 316 N CA 0.610 53.871 53.050 0.353 0.000 0.911 316 N CB -0.150 38.543 38.487 0.343 0.000 0.961 316 N HN 0.492 nan 8.380 nan 0.000 0.446 317 R N 0.433 121.095 120.500 0.271 0.000 2.609 317 R HA 0.103 4.442 4.340 -0.002 0.000 0.326 317 R C -0.501 175.912 176.300 0.188 0.000 1.090 317 R CA -0.269 55.954 56.100 0.206 0.000 1.072 317 R CB 0.321 30.704 30.300 0.138 0.000 1.330 317 R HN 0.010 nan 8.270 nan 0.000 0.572 318 D N 0.550 121.102 120.400 0.254 0.000 2.325 318 D HA 0.124 4.763 4.640 -0.002 0.000 0.251 318 D C 0.915 177.310 176.300 0.159 0.000 1.196 318 D CA -0.097 54.027 54.000 0.207 0.000 0.866 318 D CB 1.527 42.483 40.800 0.260 0.000 1.101 318 D HN 0.183 nan 8.370 nan 0.000 0.476 319 A N 4.128 127.004 122.820 0.093 0.000 2.125 319 A HA -0.164 4.155 4.320 -0.002 0.000 0.219 319 A C 1.538 179.134 177.584 0.020 0.000 1.156 319 A CA 0.991 53.049 52.037 0.034 0.000 0.671 319 A CB -0.015 19.002 19.000 0.028 0.000 0.794 319 A HN 0.533 nan 8.150 nan 0.000 0.459 320 D N -2.088 118.353 120.400 0.068 0.000 2.312 320 D HA -0.090 4.549 4.640 -0.002 0.000 0.211 320 D C 1.382 177.722 176.300 0.068 0.000 0.964 320 D CA 0.830 54.871 54.000 0.069 0.000 0.877 320 D CB -0.163 40.700 40.800 0.105 0.000 0.924 320 D HN 0.840 nan 8.370 nan 0.000 0.515 321 W N 0.252 121.435 121.300 -0.195 0.000 2.699 321 W HA 0.260 4.919 4.660 -0.002 0.000 0.267 321 W C 0.007 176.375 176.519 -0.251 0.000 1.182 321 W CA -0.043 57.067 57.345 -0.391 0.000 1.453 321 W CB 0.303 29.153 29.460 -1.017 0.000 1.054 321 W HN -0.268 nan 8.180 nan 0.000 0.595 322 M N 2.430 121.733 119.600 -0.496 0.000 2.134 322 M HA 0.462 4.941 4.480 -0.002 0.000 0.310 322 M C -2.758 173.374 176.300 -0.281 0.000 0.966 322 M CA -2.827 52.087 55.300 -0.643 0.000 0.922 322 M CB 1.568 33.714 32.600 -0.757 0.000 1.537 322 M HN -0.319 nan 8.290 nan 0.000 0.424 323 P HA 0.079 nan 4.420 nan 0.000 0.265 323 P C -0.983 176.257 177.300 -0.100 0.000 1.193 323 P CA 0.542 63.563 63.100 -0.132 0.000 0.765 323 P CB 0.189 31.813 31.700 -0.125 0.000 0.823 324 E N 2.156 122.325 120.200 -0.052 0.000 2.240 324 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 324 E C -1.436 175.159 176.600 -0.008 0.000 1.385 324 E CA -0.126 56.261 56.400 -0.022 0.000 0.686 324 E CB -0.799 28.887 29.700 -0.024 0.000 1.125 324 E HN 0.523 nan 8.360 nan 0.000 0.359 325 P HA -0.101 nan 4.420 nan 0.000 0.229 325 P C 0.471 177.831 177.300 0.099 0.000 1.160 325 P CA 0.813 63.934 63.100 0.035 0.000 0.777 325 P CB 0.344 32.075 31.700 0.052 0.000 0.814 326 D N -0.483 119.972 120.400 0.093 0.000 2.340 326 D HA 0.007 4.646 4.640 -0.002 0.000 0.220 326 D C 1.001 177.463 176.300 0.270 0.000 1.039 326 D CA 0.371 54.450 54.000 0.132 0.000 0.866 326 D CB -0.137 40.706 40.800 0.072 0.000 0.913 326 D HN 0.231 nan 8.370 nan 0.000 0.523 327 R N 1.118 121.725 120.500 0.179 0.000 2.265 327 R HA 0.318 4.656 4.340 -0.002 0.000 0.319 327 R C -0.730 175.564 176.300 -0.010 0.000 1.006 327 R CA -0.716 55.446 56.100 0.103 0.000 0.880 327 R CB 0.652 30.971 30.300 0.032 0.000 1.077 327 R HN -0.106 nan 8.270 nan 0.000 0.454 328 L N 4.240 125.288 121.223 -0.291 0.000 2.313 328 L HA 0.279 4.618 4.340 -0.002 0.000 0.282 328 L C -1.078 175.588 176.870 -0.340 0.000 1.092 328 L CA 0.499 54.953 54.840 -0.644 0.000 0.831 328 L CB 1.062 42.283 42.059 -1.398 0.000 1.159 328 L HN 0.662 nan 8.230 nan 0.000 0.442 329 D N 4.593 124.839 120.400 -0.256 0.000 2.358 329 D HA 0.137 4.776 4.640 -0.002 0.000 0.253 329 D C 0.950 177.131 176.300 -0.200 0.000 1.288 329 D CA -0.343 53.547 54.000 -0.184 0.000 0.950 329 D CB 0.724 41.447 40.800 -0.129 0.000 1.197 329 D HN 0.603 nan 8.370 nan 0.000 0.550 330 I N 0.955 121.393 120.570 -0.221 0.000 3.083 330 I HA -0.059 4.110 4.170 -0.002 0.000 0.273 330 I C 1.267 177.270 176.117 -0.190 0.000 1.297 330 I CA 1.156 62.298 61.300 -0.263 0.000 1.452 330 I CB -0.304 37.524 38.000 -0.286 0.000 1.078 330 I HN 0.223 nan 8.210 nan 0.000 0.484 331 T N -1.984 112.486 114.554 -0.139 0.000 3.065 331 T HA 0.191 4.540 4.350 -0.002 0.000 0.252 331 T C 1.103 175.747 174.700 -0.093 0.000 1.099 331 T CA -0.326 61.712 62.100 -0.103 0.000 1.063 331 T CB -0.229 68.590 68.868 -0.080 0.000 0.948 331 T HN 0.328 nan 8.240 nan 0.000 0.506 332 R N 1.747 122.183 120.500 -0.107 0.000 2.638 332 R HA 0.073 4.412 4.340 -0.002 0.000 0.268 332 R C -0.724 175.532 176.300 -0.073 0.000 1.006 332 R CA 0.411 56.452 56.100 -0.097 0.000 1.088 332 R CB 0.068 30.299 30.300 -0.115 0.000 0.950 332 R HN 0.311 nan 8.270 nan 0.000 0.419 333 D N 1.541 121.905 120.400 -0.061 0.000 2.973 333 D HA 0.206 4.845 4.640 -0.002 0.000 0.263 333 D C -0.413 175.877 176.300 -0.015 0.000 1.266 333 D CA -0.051 53.931 54.000 -0.031 0.000 0.975 333 D CB 0.413 41.197 40.800 -0.027 0.000 1.032 333 D HN 0.571 nan 8.370 nan 0.000 0.510 334 A N 0.635 123.455 122.820 0.000 0.000 2.406 334 A HA 0.564 4.883 4.320 -0.002 0.000 0.243 334 A C 0.278 177.945 177.584 0.138 0.000 1.082 334 A CA -0.079 51.980 52.037 0.036 0.000 0.786 334 A CB 0.787 19.836 19.000 0.082 0.000 1.029 334 A HN 0.311 nan 8.150 nan 0.000 0.495 335 S N -1.082 114.743 115.700 0.210 0.000 2.548 335 S HA 0.614 5.083 4.470 -0.002 0.000 0.276 335 S C 0.361 175.221 174.600 0.433 0.000 1.129 335 S CA 0.365 58.718 58.200 0.256 0.000 0.931 335 S CB 1.591 64.889 63.200 0.163 0.000 1.068 335 S HN 2.413 nan 8.310 nan 0.000 0.480 336 G N 2.102 111.072 108.800 0.283 0.000 2.131 336 G HA2 -0.132 3.826 3.960 -0.002 0.000 0.223 336 G HA3 -0.132 3.826 3.960 -0.002 0.000 0.223 336 G C 0.442 175.255 174.900 -0.144 0.000 0.990 336 G CA -0.220 44.956 45.100 0.125 0.000 0.671 336 G HN 1.137 nan 8.290 nan 0.000 0.521 337 G N -0.704 108.038 108.800 -0.096 0.000 2.484 337 G HA2 0.513 4.471 3.960 -0.002 0.000 0.235 337 G HA3 0.513 4.471 3.960 -0.002 0.000 0.235 337 G C 1.179 175.564 174.900 -0.858 0.000 1.282 337 G CA 0.633 45.395 45.100 -0.562 0.000 0.857 337 G HN 1.530 nan 8.290 nan 0.000 0.571 338 V N 0.457 119.956 119.914 -0.691 0.000 3.376 338 V HA 0.223 4.342 4.120 -0.002 0.000 0.313 338 V C 1.621 177.498 176.094 -0.361 0.000 1.393 338 V CA 0.279 62.293 62.300 -0.476 0.000 1.125 338 V CB -1.290 30.376 31.823 -0.262 0.000 1.037 338 V HN 0.642 nan 8.190 nan 0.000 0.440 339 F N -0.606 119.279 119.950 -0.110 0.000 2.269 339 F HA 0.222 4.748 4.527 -0.002 0.000 0.301 339 F C 1.619 177.262 175.800 -0.262 0.000 1.082 339 F CA 0.734 58.616 58.000 -0.197 0.000 1.360 339 F CB -1.233 37.581 39.000 -0.311 0.000 1.041 339 F HN 0.195 nan 8.300 nan 0.000 0.512 340 F N 0.904 120.841 119.950 -0.022 0.000 2.641 340 F HA 0.506 5.032 4.527 -0.003 0.000 0.302 340 F C 1.536 177.043 175.800 -0.488 0.000 1.098 340 F CA 0.041 57.886 58.000 -0.259 0.000 1.318 340 F CB -0.085 38.628 39.000 -0.478 0.000 1.035 340 F HN 0.290 nan 8.300 nan 0.000 0.551 341 G N 0.681 109.333 108.800 -0.248 0.000 2.584 341 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.229 341 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.229 341 G C -1.381 173.177 174.900 -0.569 0.000 1.320 341 G CA -0.400 44.268 45.100 -0.720 0.000 0.891 341 G HN 0.529 nan 8.290 nan 0.000 0.573 342 H N -0.953 117.572 119.070 -0.908 0.000 3.139 342 H HA 0.660 5.215 4.556 -0.002 0.000 0.325 342 H C 0.552 175.767 175.328 -0.188 0.000 1.146 342 H CA 1.956 57.755 56.048 -0.415 0.000 1.351 342 H CB 0.962 30.446 29.762 -0.464 0.000 2.005 342 H HN 2.667 nan 8.280 nan 0.000 0.517 343 G N 2.618 111.121 108.800 -0.494 0.000 2.499 343 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.232 343 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.232 343 G C 1.330 176.167 174.900 -0.105 0.000 1.251 343 G CA 0.441 45.349 45.100 -0.321 0.000 0.917 343 G HN 1.315 nan 8.290 nan 0.000 0.580 344 I N -2.420 118.096 120.570 -0.091 0.000 2.493 344 I HA 0.091 4.260 4.170 -0.002 0.000 0.254 344 I C 1.676 177.698 176.117 -0.158 0.000 1.160 344 I CA 1.995 63.221 61.300 -0.124 0.000 1.445 344 I CB -0.251 37.614 38.000 -0.224 0.000 1.086 344 I HN 0.465 nan 8.210 nan 0.000 0.433 345 H N 0.797 119.854 119.070 -0.022 0.000 2.519 345 H HA 0.211 4.766 4.556 -0.002 0.000 0.289 345 H C -0.099 175.260 175.328 0.051 0.000 1.040 345 H CA -0.503 55.551 56.048 0.010 0.000 1.165 345 H CB -0.278 29.469 29.762 -0.024 0.000 1.462 345 H HN 0.355 nan 8.280 nan 0.000 0.555 346 F N 1.587 121.533 119.950 -0.005 0.000 2.607 346 F HA -0.030 4.496 4.527 -0.001 0.000 0.374 346 F C 0.855 176.645 175.800 -0.016 0.000 1.104 346 F CA -0.488 57.483 58.000 -0.049 0.000 1.296 346 F CB 0.455 39.410 39.000 -0.074 0.000 1.085 346 F HN 0.112 nan 8.300 nan 0.000 0.584 347 C N 8.903 127.755 119.300 -0.748 0.000 2.067 347 C HA -0.123 4.336 4.460 -0.002 0.000 0.408 347 C C 1.797 176.561 174.990 -0.377 0.000 1.539 347 C CA 0.026 58.725 59.018 -0.532 0.000 1.434 347 C CB -2.011 25.369 27.740 -0.599 0.000 2.621 347 C HN 1.023 nan 8.230 nan 0.000 0.610 348 L N 6.125 127.210 121.223 -0.230 0.000 2.083 348 L HA 0.138 4.476 4.340 -0.002 0.000 0.209 348 L C 2.175 178.871 176.870 -0.290 0.000 1.083 348 L CA 2.462 57.167 54.840 -0.224 0.000 0.752 348 L CB -0.505 41.365 42.059 -0.314 0.000 0.899 348 L HN 0.826 nan 8.230 nan 0.000 0.433 349 G N -1.832 106.763 108.800 -0.343 0.000 3.327 349 G HA2 0.246 4.205 3.960 -0.002 0.000 0.240 349 G HA3 0.246 4.205 3.960 -0.002 0.000 0.240 349 G C 1.363 176.097 174.900 -0.277 0.000 1.222 349 G CA 0.402 45.363 45.100 -0.231 0.000 0.871 349 G HN 0.560 nan 8.290 nan 0.000 0.525 350 A N 0.450 122.983 122.820 -0.480 0.000 1.902 350 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 350 A C 2.226 179.537 177.584 -0.454 0.000 1.181 350 A CA 2.071 53.527 52.037 -0.968 0.000 0.623 350 A CB -0.201 18.172 19.000 -1.045 0.000 0.818 350 A HN 0.428 nan 8.150 nan 0.000 0.443 351 Q N -0.834 118.877 119.800 -0.149 0.000 2.083 351 Q HA -0.061 4.278 4.340 -0.002 0.000 0.198 351 Q C 1.854 177.864 176.000 0.017 0.000 0.969 351 Q CA 1.409 57.205 55.803 -0.012 0.000 0.838 351 Q CB -0.492 28.268 28.738 0.036 0.000 0.900 351 Q HN 0.480 nan 8.270 nan 0.000 0.436 352 L N 0.319 121.559 121.223 0.030 0.000 2.013 352 L HA -0.121 4.218 4.340 -0.002 0.000 0.212 352 L C 2.058 178.957 176.870 0.048 0.000 1.073 352 L CA 2.465 57.339 54.840 0.056 0.000 0.753 352 L CB -1.232 40.896 42.059 0.116 0.000 0.890 352 L HN 0.255 nan 8.230 nan 0.000 0.432 353 A N -0.734 122.106 122.820 0.034 0.000 1.902 353 A HA -0.208 4.111 4.320 -0.002 0.000 0.217 353 A C 2.426 180.106 177.584 0.160 0.000 1.181 353 A CA 1.703 53.806 52.037 0.110 0.000 0.623 353 A CB -0.514 18.605 19.000 0.198 0.000 0.818 353 A HN 0.494 nan 8.150 nan 0.000 0.443 354 R N -0.624 119.975 120.500 0.164 0.000 2.073 354 R HA -0.048 4.290 4.340 -0.002 0.000 0.234 354 R C 2.089 178.459 176.300 0.117 0.000 1.134 354 R CA 1.576 57.782 56.100 0.177 0.000 0.952 354 R CB -0.472 29.936 30.300 0.179 0.000 0.850 354 R HN 0.515 nan 8.270 nan 0.000 0.433 355 L N 0.368 121.642 121.223 0.086 0.000 2.005 355 L HA -0.173 4.166 4.340 -0.002 0.000 0.207 355 L C 2.262 179.167 176.870 0.059 0.000 1.072 355 L CA 1.462 56.340 54.840 0.065 0.000 0.744 355 L CB -0.412 41.676 42.059 0.048 0.000 0.895 355 L HN 0.239 nan 8.230 nan 0.000 0.433 356 E N -0.045 120.186 120.200 0.051 0.000 2.085 356 E HA -0.208 4.140 4.350 -0.002 0.000 0.194 356 E C 2.151 178.780 176.600 0.047 0.000 0.994 356 E CA 1.190 57.607 56.400 0.029 0.000 0.801 356 E CB -0.330 29.378 29.700 0.013 0.000 0.743 356 E HN 0.580 nan 8.360 nan 0.000 0.453 357 G N 0.818 109.670 108.800 0.086 0.000 2.402 357 G HA2 -0.246 3.712 3.960 -0.002 0.000 0.216 357 G HA3 -0.246 3.712 3.960 -0.002 0.000 0.216 357 G C 1.523 176.508 174.900 0.141 0.000 1.162 357 G CA 0.481 45.653 45.100 0.120 0.000 0.777 357 G HN 0.074 nan 8.290 nan 0.000 0.539 358 R N -0.260 120.313 120.500 0.121 0.000 2.080 358 R HA -0.047 4.292 4.340 -0.002 0.000 0.236 358 R C 2.717 179.088 176.300 0.118 0.000 1.137 358 R CA 1.423 57.592 56.100 0.116 0.000 0.943 358 R CB -0.665 29.686 30.300 0.085 0.000 0.846 358 R HN 0.272 nan 8.270 nan 0.000 0.431 359 V N 0.920 120.890 119.914 0.094 0.000 2.261 359 V HA -0.272 3.847 4.120 -0.002 0.000 0.246 359 V C 2.430 178.599 176.094 0.125 0.000 1.047 359 V CA 2.038 64.392 62.300 0.090 0.000 1.015 359 V CB -0.877 30.979 31.823 0.056 0.000 0.642 359 V HN 0.468 nan 8.190 nan 0.000 0.446 360 A N -0.101 122.778 122.820 0.098 0.000 1.873 360 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 360 A C 2.190 179.961 177.584 0.312 0.000 1.193 360 A CA 2.360 54.471 52.037 0.124 0.000 0.629 360 A CB -0.595 18.384 19.000 -0.034 0.000 0.826 360 A HN 0.517 nan 8.150 nan 0.000 0.447 361 I N -0.885 119.848 120.570 0.271 0.000 2.277 361 I HA -0.094 4.074 4.170 -0.002 0.000 0.243 361 I C 2.738 179.078 176.117 0.371 0.000 1.094 361 I CA 0.925 62.435 61.300 0.350 0.000 1.393 361 I CB -0.683 37.502 38.000 0.308 0.000 1.078 361 I HN 0.401 nan 8.210 nan 0.000 0.417 362 G N 0.926 109.881 108.800 0.259 0.000 2.433 362 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.216 362 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.216 362 G C 1.795 176.817 174.900 0.204 0.000 1.186 362 G CA 0.352 45.579 45.100 0.212 0.000 0.779 362 G HN 0.176 nan 8.290 nan 0.000 0.543 363 R N -0.329 120.280 120.500 0.180 0.000 2.096 363 R HA -0.018 4.321 4.340 -0.002 0.000 0.235 363 R C 2.496 178.864 176.300 0.113 0.000 1.127 363 R CA 1.024 57.210 56.100 0.143 0.000 0.968 363 R CB -0.869 29.519 30.300 0.146 0.000 0.861 363 R HN 0.419 nan 8.270 nan 0.000 0.440 364 L N 0.276 121.578 121.223 0.131 0.000 1.989 364 L HA -0.135 4.204 4.340 -0.002 0.000 0.211 364 L C 1.991 178.775 176.870 -0.142 0.000 1.071 364 L CA 1.796 56.578 54.840 -0.097 0.000 0.749 364 L CB -0.662 41.291 42.059 -0.176 0.000 0.890 364 L HN -0.037 nan 8.230 nan 0.000 0.431 365 F N -0.397 119.555 119.950 0.003 0.000 2.259 365 F HA -0.045 4.481 4.527 -0.002 0.000 0.298 365 F C 2.412 178.213 175.800 0.001 0.000 1.088 365 F CA 1.076 59.076 58.000 -0.000 0.000 1.358 365 F CB -0.853 38.161 39.000 0.022 0.000 1.040 365 F HN 0.213 nan 8.300 nan 0.000 0.505 366 A N -0.332 122.588 122.820 0.167 0.000 1.873 366 A HA -0.225 4.094 4.320 -0.002 0.000 0.215 366 A C 1.840 179.448 177.584 0.040 0.000 1.186 366 A CA 2.046 54.140 52.037 0.095 0.000 0.616 366 A CB -0.957 18.095 19.000 0.087 0.000 0.823 366 A HN 0.338 nan 8.150 nan 0.000 0.442 367 D N -1.132 119.274 120.400 0.009 0.000 2.178 367 D HA -0.064 4.575 4.640 -0.002 0.000 0.202 367 D C 0.704 176.968 176.300 -0.059 0.000 0.974 367 D CA 0.783 54.766 54.000 -0.028 0.000 0.841 367 D CB 0.154 40.927 40.800 -0.046 0.000 0.953 367 D HN 0.119 nan 8.370 nan 0.000 0.478 368 R N 0.087 120.529 120.500 -0.096 0.000 2.748 368 R HA 0.202 4.541 4.340 -0.002 0.000 0.283 368 R C -2.070 174.166 176.300 -0.107 0.000 1.507 368 R CA -1.355 54.665 56.100 -0.133 0.000 1.666 368 R CB 0.905 31.067 30.300 -0.230 0.000 1.237 368 R HN 0.242 nan 8.270 nan 0.000 0.633 369 P HA -0.072 nan 4.420 nan 0.000 0.226 369 P C 0.219 177.533 177.300 0.023 0.000 1.153 369 P CA 0.936 64.056 63.100 0.034 0.000 0.777 369 P CB 0.513 32.236 31.700 0.039 0.000 0.794 370 E N -0.690 119.496 120.200 -0.022 0.000 2.465 370 E HA 0.098 4.447 4.350 -0.002 0.000 0.195 370 E C 0.421 176.990 176.600 -0.052 0.000 1.028 370 E CA -0.704 55.683 56.400 -0.021 0.000 0.899 370 E CB -0.156 29.531 29.700 -0.022 0.000 1.032 370 E HN 0.083 nan 8.360 nan 0.000 0.468 371 L N 1.754 122.910 121.223 -0.111 0.000 2.593 371 L HA -0.004 4.335 4.340 -0.002 0.000 0.287 371 L C -0.423 176.397 176.870 -0.082 0.000 1.243 371 L CA 0.589 55.329 54.840 -0.166 0.000 0.890 371 L CB 0.313 42.148 42.059 -0.373 0.000 1.134 371 L HN 0.010 nan 8.230 nan 0.000 0.502 372 A N 5.418 128.196 122.820 -0.069 0.000 2.549 372 A HA 0.539 4.857 4.320 -0.002 0.000 0.297 372 A C -0.869 176.696 177.584 -0.032 0.000 1.061 372 A CA -0.838 51.183 52.037 -0.027 0.000 0.690 372 A CB 0.774 19.764 19.000 -0.017 0.000 1.287 372 A HN 0.729 nan 8.150 nan 0.000 0.402 373 L N 1.003 122.219 121.223 -0.011 0.000 2.543 373 L HA 0.189 4.527 4.340 -0.002 0.000 0.285 373 L C 1.219 178.079 176.870 -0.017 0.000 1.236 373 L CA 0.430 55.263 54.840 -0.012 0.000 0.871 373 L CB 1.133 43.194 42.059 0.003 0.000 1.121 373 L HN 0.930 nan 8.230 nan 0.000 0.501 374 A N 4.292 127.099 122.820 -0.022 0.000 2.630 374 A HA 0.486 4.805 4.320 -0.002 0.000 0.290 374 A C -0.183 177.391 177.584 -0.016 0.000 1.267 374 A CA -0.155 51.869 52.037 -0.021 0.000 0.950 374 A CB 0.034 19.017 19.000 -0.028 0.000 1.144 374 A HN 0.482 nan 8.150 nan 0.000 0.527 375 V N -4.823 115.084 119.914 -0.012 0.000 3.206 375 V HA 0.921 5.040 4.120 -0.002 0.000 0.305 375 V C 0.274 176.369 176.094 0.001 0.000 1.257 375 V CA -0.486 61.810 62.300 -0.007 0.000 1.057 375 V CB 0.851 32.668 31.823 -0.010 0.000 1.075 375 V HN 0.504 nan 8.190 nan 0.000 0.443 376 G N 0.041 108.844 108.800 0.005 0.000 2.483 376 G HA2 0.420 4.379 3.960 -0.002 0.000 0.248 376 G HA3 0.420 4.379 3.960 -0.002 0.000 0.248 376 G C 0.389 175.301 174.900 0.021 0.000 1.248 376 G CA 0.001 45.108 45.100 0.011 0.000 0.838 376 G HN 1.161 nan 8.290 nan 0.000 0.566 377 L N 1.225 122.465 121.223 0.027 0.000 2.051 377 L HA -0.173 4.165 4.340 -0.002 0.000 0.214 377 L C 2.561 179.466 176.870 0.059 0.000 1.076 377 L CA 2.681 57.549 54.840 0.046 0.000 0.758 377 L CB -0.411 41.675 42.059 0.045 0.000 0.890 377 L HN 0.745 nan 8.230 nan 0.000 0.433 378 D N -1.179 119.248 120.400 0.045 0.000 2.265 378 D HA -0.248 4.391 4.640 -0.002 0.000 0.208 378 D C 1.504 177.836 176.300 0.052 0.000 0.977 378 D CA 1.430 55.459 54.000 0.048 0.000 0.871 378 D CB -0.270 40.549 40.800 0.032 0.000 0.925 378 D HN 0.596 nan 8.370 nan 0.000 0.485 379 E N -0.022 120.202 120.200 0.040 0.000 2.447 379 E HA 0.155 4.504 4.350 -0.002 0.000 0.195 379 E C 0.521 177.137 176.600 0.026 0.000 1.028 379 E CA -0.315 56.103 56.400 0.030 0.000 0.876 379 E CB 0.430 30.138 29.700 0.014 0.000 0.885 379 E HN 0.257 nan 8.360 nan 0.000 0.500 380 L N 1.790 123.034 121.223 0.035 0.000 2.490 380 L HA 0.049 4.388 4.340 -0.002 0.000 0.274 380 L C -0.183 176.707 176.870 0.033 0.000 1.201 380 L CA -0.062 54.777 54.840 -0.002 0.000 0.869 380 L CB 0.574 42.625 42.059 -0.014 0.000 1.123 380 L HN -0.128 nan 8.230 nan 0.000 0.484 381 V N 3.792 123.674 119.914 -0.054 0.000 2.448 381 V HA 0.346 4.465 4.120 -0.002 0.000 0.295 381 V C -0.543 175.495 176.094 -0.094 0.000 1.025 381 V CA -0.579 61.725 62.300 0.008 0.000 0.859 381 V CB 1.500 33.316 31.823 -0.012 0.000 0.988 381 V HN 0.377 nan 8.190 nan 0.000 0.431 382 Y N 3.157 123.473 120.300 0.027 0.000 2.453 382 Y HA 0.554 5.103 4.550 -0.001 0.000 0.326 382 Y C 1.022 176.892 175.900 -0.050 0.000 1.186 382 Y CA -0.722 57.392 58.100 0.024 0.000 1.200 382 Y CB 1.132 39.642 38.460 0.084 0.000 1.247 382 Y HN 0.477 nan 8.280 nan 0.000 0.482 383 R N 1.747 122.295 120.500 0.080 0.000 2.543 383 R HA 0.258 4.597 4.340 -0.002 0.000 0.277 383 R C -0.504 175.650 176.300 -0.243 0.000 1.074 383 R CA -0.435 55.625 56.100 -0.067 0.000 1.076 383 R CB 0.408 30.701 30.300 -0.012 0.000 0.993 383 R HN 0.528 nan 8.270 nan 0.000 0.459 384 R N 1.480 121.659 120.500 -0.535 0.000 2.248 384 R HA 0.149 4.488 4.340 -0.002 0.000 0.337 384 R C -0.383 175.599 176.300 -0.528 0.000 1.106 384 R CA -0.048 55.347 56.100 -1.176 0.000 0.959 384 R CB 0.963 30.554 30.300 -1.182 0.000 1.075 384 R HN 0.429 nan 8.270 nan 0.000 0.480 385 S N 0.515 116.077 115.700 -0.229 0.000 2.533 385 S HA 0.140 4.608 4.470 -0.002 0.000 0.271 385 S C 0.708 175.589 174.600 0.469 0.000 1.143 385 S CA -0.731 57.552 58.200 0.138 0.000 0.891 385 S CB 1.587 64.863 63.200 0.126 0.000 1.105 385 S HN 0.626 nan 8.310 nan 0.000 0.468 386 T N 2.318 117.097 114.554 0.375 0.000 3.129 386 T HA 0.166 4.515 4.350 -0.002 0.000 0.251 386 T C 1.259 176.136 174.700 0.294 0.000 1.117 386 T CA 0.387 62.722 62.100 0.392 0.000 1.034 386 T CB -0.036 68.881 68.868 0.082 0.000 0.968 386 T HN 0.381 nan 8.240 nan 0.000 0.526 387 L N 1.413 122.777 121.223 0.235 0.000 2.467 387 L HA 0.481 4.820 4.340 -0.002 0.000 0.213 387 L C 0.434 177.421 176.870 0.195 0.000 1.053 387 L CA 0.355 55.303 54.840 0.179 0.000 0.847 387 L CB 0.889 43.023 42.059 0.126 0.000 1.075 387 L HN 0.355 nan 8.230 nan 0.000 0.479 388 V N -1.739 118.301 119.914 0.211 0.000 2.769 388 V HA 0.642 4.760 4.120 -0.002 0.000 0.312 388 V C -0.475 175.757 176.094 0.230 0.000 1.061 388 V CA -0.917 61.502 62.300 0.197 0.000 0.931 388 V CB 1.772 33.694 31.823 0.166 0.000 1.010 388 V HN 0.275 nan 8.190 nan 0.000 0.433 389 R N 2.724 123.352 120.500 0.212 0.000 2.233 389 R HA 0.770 5.109 4.340 -0.002 0.000 0.334 389 R C -0.158 176.314 176.300 0.287 0.000 1.037 389 R CA 0.490 56.724 56.100 0.223 0.000 0.920 389 R CB 0.694 31.080 30.300 0.144 0.000 1.137 389 R HN 1.395 nan 8.270 nan 0.000 0.492 390 G N 3.891 112.911 108.800 0.366 0.000 2.753 390 G HA2 0.377 4.335 3.960 -0.002 0.000 0.297 390 G HA3 0.377 4.335 3.960 -0.002 0.000 0.297 390 G C -1.337 173.632 174.900 0.115 0.000 1.430 390 G CA -0.816 44.428 45.100 0.242 0.000 1.040 390 G HN 0.453 nan 8.290 nan 0.000 0.530 391 L N 1.686 122.831 121.223 -0.130 0.000 2.380 391 L HA 0.212 4.551 4.340 -0.002 0.000 0.273 391 L C 1.978 178.733 176.870 -0.191 0.000 1.138 391 L CA -0.257 54.336 54.840 -0.412 0.000 0.832 391 L CB 1.674 43.503 42.059 -0.383 0.000 1.124 391 L HN 0.744 nan 8.230 nan 0.000 0.454 392 S N 2.652 118.234 115.700 -0.196 0.000 2.461 392 S HA 0.039 4.508 4.470 -0.002 0.000 0.228 392 S C 0.699 175.226 174.600 -0.122 0.000 1.005 392 S CA 0.082 58.206 58.200 -0.126 0.000 0.942 392 S CB 0.172 63.309 63.200 -0.106 0.000 0.776 392 S HN 0.722 nan 8.310 nan 0.000 0.514 393 R N -0.421 119.998 120.500 -0.134 0.000 2.634 393 R HA 0.440 4.778 4.340 -0.002 0.000 0.263 393 R C -2.143 174.095 176.300 -0.103 0.000 1.060 393 R CA -0.457 55.582 56.100 -0.101 0.000 0.898 393 R CB 1.443 31.691 30.300 -0.086 0.000 1.253 393 R HN 0.369 nan 8.270 nan 0.000 0.461 394 M N 5.574 125.132 119.600 -0.070 0.000 1.956 394 M HA 0.381 4.859 4.480 -0.002 0.000 0.256 394 M C -2.670 173.604 176.300 -0.043 0.000 0.869 394 M CA -1.765 53.500 55.300 -0.059 0.000 0.886 394 M CB 1.833 34.405 32.600 -0.046 0.000 1.739 394 M HN 0.266 nan 8.290 nan 0.000 0.381 395 P HA 0.145 nan 4.420 nan 0.000 0.267 395 P C -0.920 176.357 177.300 -0.039 0.000 1.209 395 P CA -0.092 62.985 63.100 -0.038 0.000 0.763 395 P CB 0.666 32.346 31.700 -0.034 0.000 0.816 396 V N 0.549 120.435 119.914 -0.047 0.000 3.130 396 V HA 0.715 4.834 4.120 -0.002 0.000 0.310 396 V C -0.628 175.429 176.094 -0.061 0.000 1.158 396 V CA -0.740 61.525 62.300 -0.057 0.000 1.029 396 V CB 2.124 33.898 31.823 -0.082 0.000 1.057 396 V HN 0.306 nan 8.190 nan 0.000 0.436 397 T N 4.086 118.602 114.554 -0.064 0.000 2.758 397 T HA 0.406 4.755 4.350 -0.002 0.000 0.285 397 T C 1.102 175.748 174.700 -0.091 0.000 0.981 397 T CA -0.530 61.531 62.100 -0.065 0.000 0.965 397 T CB 1.292 70.130 68.868 -0.049 0.000 0.927 397 T HN 0.657 nan 8.240 nan 0.000 0.448 398 M N 1.831 121.369 119.600 -0.104 0.000 2.159 398 M HA 0.109 4.587 4.480 -0.002 0.000 0.263 398 M C 1.533 177.760 176.300 -0.121 0.000 1.063 398 M CA 1.111 56.327 55.300 -0.140 0.000 1.110 398 M CB -1.582 30.933 32.600 -0.143 0.000 1.374 398 M HN 0.994 nan 8.290 nan 0.000 0.411 399 G N 0.506 109.255 108.800 -0.085 0.000 2.782 399 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.228 399 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.228 399 G C -2.877 171.986 174.900 -0.061 0.000 1.372 399 G CA -1.167 43.894 45.100 -0.066 0.000 0.862 399 G HN 0.180 nan 8.290 nan 0.000 0.547 400 P HA 0.240 nan 4.420 nan 0.000 0.266 400 P C 0.361 177.635 177.300 -0.044 0.000 1.195 400 P CA 0.089 63.166 63.100 -0.038 0.000 0.768 400 P CB 0.378 32.061 31.700 -0.027 0.000 0.838 401 R N 1.314 121.790 120.500 -0.039 0.000 2.594 401 R HA 0.224 4.563 4.340 -0.002 0.000 0.272 401 R C 0.675 176.960 176.300 -0.024 0.000 1.074 401 R CA -0.267 55.810 56.100 -0.037 0.000 1.105 401 R CB 0.258 30.538 30.300 -0.032 0.000 1.008 401 R HN 0.440 nan 8.270 nan 0.000 0.472 402 S N 1.165 116.853 115.700 -0.019 0.000 2.552 402 S HA 0.159 4.628 4.470 -0.002 0.000 0.289 402 S C 0.317 174.914 174.600 -0.004 0.000 1.304 402 S CA -0.370 57.826 58.200 -0.007 0.000 1.063 402 S CB 0.494 63.694 63.200 0.001 0.000 0.848 402 S HN 0.607 nan 8.310 nan 0.000 0.499 403 A N 0.000 122.819 122.820 -0.002 0.000 2.254 403 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 403 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 403 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486