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 2o7c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHGSNKLPGF ATRAIHHGYD PQDHGGALVP PVYQTATFTF PTVEYGAACF DATA SEQUENCE AGEQAGHFYS RISNPTLNLL EARMASLEGG EAGLALASGM GAITSTLWTL DATA SEQUENCE LRPGDEVLLG NTLYGCTFAF LHHGIGEFGV KLRHVDMADL QALEAAMTPA DATA SEQUENCE TRVIYFESPA NPNMHMADIA GVAKIARKHG ATVVVDNTYC TPYLQRPLEL DATA SEQUENCE GADLVVHSAT XYLSGHGDIT AGIVVGSQAL VDRIRLQGLK DMTGAVLSPH DATA SEQUENCE DAALLMRGIK TLNLRMDRHC ANAQVLAEFL ARQPQVELIH YPGLASFPQY DATA SEQUENCE TLARQQMSQP GGMIAFELKG GIGAGRRFMN ALQLFSRAVS LGDAESLAQH DATA SEQUENCE PASMTHSSYT PEERAHYGIS EGLVRLSVGL EDIDDLLADV QQALKASA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.321 176.300 0.035 0.000 1.140 1 M CA 0.000 55.334 55.300 0.057 0.000 0.988 1 M CB 0.000 32.618 32.600 0.031 0.000 1.302 2 H N 0.274 119.191 119.070 -0.254 0.000 3.676 2 H HA 0.623 5.179 4.556 -0.000 0.000 0.169 2 H C 1.573 176.909 175.328 0.014 0.000 1.513 2 H CA 0.865 56.842 56.048 -0.118 0.000 1.693 2 H CB 0.352 30.022 29.762 -0.153 0.000 1.222 2 H HN 0.418 nan 8.280 nan 0.000 0.628 3 G N -0.629 108.312 108.800 0.235 0.000 2.435 3 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.245 3 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.245 3 G C 1.186 176.297 174.900 0.351 0.000 1.073 3 G CA 1.326 46.598 45.100 0.286 0.000 0.638 3 G HN 0.653 nan 8.290 nan 0.000 0.521 4 S N -0.879 114.902 115.700 0.135 0.000 2.649 4 S HA 0.212 4.682 4.470 -0.000 0.000 0.246 4 S C 0.379 174.924 174.600 -0.091 0.000 1.057 4 S CA 0.526 58.775 58.200 0.082 0.000 1.051 4 S CB -0.144 63.083 63.200 0.046 0.000 1.018 4 S HN 0.502 nan 8.310 nan 0.000 0.569 5 N N 3.749 122.262 118.700 -0.312 0.000 2.670 5 N HA 0.090 4.830 4.740 -0.000 0.000 0.296 5 N C -1.065 174.263 175.510 -0.303 0.000 1.216 5 N CA -0.109 52.642 53.050 -0.498 0.000 1.123 5 N CB 0.001 37.733 38.487 -1.258 0.000 1.459 5 N HN 0.135 nan 8.380 nan 0.000 0.509 6 K N 1.961 122.289 120.400 -0.119 0.000 5.946 6 K HA -0.174 4.146 4.320 -0.000 0.000 0.541 6 K C -0.022 176.583 176.600 0.008 0.000 1.298 6 K CA 0.039 56.305 56.287 -0.036 0.000 1.487 6 K CB -0.695 31.795 32.500 -0.018 0.000 1.783 6 K HN 0.619 nan 8.250 nan 0.000 0.380 7 L N 1.785 123.020 121.223 0.019 0.000 4.272 7 L HA -0.221 4.119 4.340 -0.000 0.000 0.479 7 L C -1.341 175.572 176.870 0.071 0.000 1.045 7 L CA 0.644 55.509 54.840 0.041 0.000 0.625 7 L CB -0.726 41.354 42.059 0.035 0.000 1.189 7 L HN 0.306 nan 8.230 nan 0.000 0.704 8 P HA 0.116 nan 4.420 nan 0.000 0.272 8 P C 0.442 177.814 177.300 0.121 0.000 1.254 8 P CA -0.209 62.980 63.100 0.149 0.000 0.795 8 P CB 0.454 32.294 31.700 0.233 0.000 1.022 9 G N -0.644 108.234 108.800 0.129 0.000 2.667 9 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.250 9 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.250 9 G C 0.435 175.449 174.900 0.190 0.000 1.212 9 G CA -0.373 44.820 45.100 0.156 0.000 0.874 9 G HN 0.433 nan 8.290 nan 0.000 0.561 10 F N 1.723 121.730 119.950 0.096 0.000 2.091 10 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 10 F C 2.729 178.586 175.800 0.095 0.000 1.103 10 F CA 2.499 60.565 58.000 0.110 0.000 1.228 10 F CB -0.230 38.877 39.000 0.178 0.000 0.984 10 F HN 0.399 nan 8.300 nan 0.000 0.477 11 A N -0.932 122.113 122.820 0.375 0.000 1.933 11 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 11 A C 2.170 179.835 177.584 0.135 0.000 1.175 11 A CA 2.242 54.414 52.037 0.225 0.000 0.628 11 A CB -1.392 17.712 19.000 0.174 0.000 0.814 11 A HN 0.448 nan 8.150 nan 0.000 0.444 12 T N -0.537 114.105 114.554 0.147 0.000 2.821 12 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 12 T C 2.040 176.864 174.700 0.206 0.000 1.046 12 T CA 1.551 63.762 62.100 0.185 0.000 1.139 12 T CB -0.169 68.783 68.868 0.140 0.000 0.871 12 T HN 0.533 nan 8.240 nan 0.000 0.454 13 R N 0.893 121.453 120.500 0.099 0.000 2.119 13 R HA 0.229 4.569 4.340 -0.000 0.000 0.222 13 R C 2.658 178.959 176.300 0.001 0.000 1.088 13 R CA 0.903 57.047 56.100 0.073 0.000 0.984 13 R CB -0.249 30.016 30.300 -0.057 0.000 0.884 13 R HN 0.287 nan 8.270 nan 0.000 0.447 14 A N 0.385 123.131 122.820 -0.123 0.000 2.172 14 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 14 A C 1.835 179.390 177.584 -0.048 0.000 1.154 14 A CA 1.050 53.005 52.037 -0.138 0.000 0.701 14 A CB -0.193 18.712 19.000 -0.158 0.000 0.789 14 A HN 0.202 nan 8.150 nan 0.000 0.465 15 I N -2.747 117.820 120.570 -0.007 0.000 3.616 15 I HA 0.063 4.233 4.170 -0.000 0.000 0.296 15 I C 1.799 177.812 176.117 -0.175 0.000 1.226 15 I CA 0.453 61.690 61.300 -0.107 0.000 1.394 15 I CB 0.121 38.030 38.000 -0.151 0.000 1.171 15 I HN 0.350 nan 8.210 nan 0.000 0.442 16 H N -1.851 117.262 119.070 0.071 0.000 3.058 16 H HA 0.180 4.736 4.556 -0.000 0.000 0.258 16 H C 0.440 175.825 175.328 0.095 0.000 1.015 16 H CA -0.219 55.889 56.048 0.100 0.000 1.210 16 H CB 0.343 30.169 29.762 0.107 0.000 1.481 16 H HN 0.167 nan 8.280 nan 0.000 0.492 17 H N 1.294 120.452 119.070 0.147 0.000 3.157 17 H HA -0.017 4.539 4.556 -0.000 0.000 0.299 17 H C 1.108 176.489 175.328 0.087 0.000 0.961 17 H CA 1.857 57.957 56.048 0.086 0.000 1.428 17 H CB 0.252 30.023 29.762 0.015 0.000 1.459 17 H HN 0.745 nan 8.280 nan 0.000 0.566 18 G N 4.164 112.616 108.800 -0.579 0.000 2.199 18 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 18 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 18 G C -0.347 174.555 174.900 0.003 0.000 0.982 18 G CA 0.401 45.323 45.100 -0.297 0.000 0.632 18 G HN 0.695 nan 8.290 nan 0.000 0.529 19 Y N 1.462 121.713 120.300 -0.081 0.000 2.350 19 Y HA 0.628 5.178 4.550 -0.000 0.000 0.338 19 Y C -1.329 174.595 175.900 0.039 0.000 0.961 19 Y CA -1.663 56.421 58.100 -0.027 0.000 1.100 19 Y CB 2.110 40.529 38.460 -0.069 0.000 1.179 19 Y HN 0.055 nan 8.280 nan 0.000 0.454 20 D N 8.204 128.265 120.400 -0.564 0.000 2.471 20 D HA 0.363 5.003 4.640 -0.000 0.000 0.245 20 D C -2.255 173.658 176.300 -0.644 0.000 1.116 20 D CA -2.558 51.195 54.000 -0.413 0.000 0.853 20 D CB 2.476 43.170 40.800 -0.176 0.000 1.123 20 D HN 0.267 nan 8.370 nan 0.000 0.540 21 P HA -0.195 nan 4.420 nan 0.000 0.217 21 P C 1.272 178.524 177.300 -0.079 0.000 1.151 21 P CA 1.073 64.005 63.100 -0.280 0.000 0.849 21 P CB 0.272 31.961 31.700 -0.019 0.000 0.787 22 Q N -0.610 119.140 119.800 -0.083 0.000 2.297 22 Q HA -0.190 4.150 4.340 -0.000 0.000 0.208 22 Q C 0.747 176.716 176.000 -0.052 0.000 0.981 22 Q CA 1.251 57.028 55.803 -0.043 0.000 0.876 22 Q CB -0.318 28.394 28.738 -0.044 0.000 0.921 22 Q HN 0.284 nan 8.270 nan 0.000 0.446 23 D N -1.167 119.187 120.400 -0.076 0.000 2.349 23 D HA -0.013 4.626 4.640 -0.000 0.000 0.215 23 D C -0.047 176.019 176.300 -0.389 0.000 1.016 23 D CA 0.624 54.508 54.000 -0.194 0.000 0.870 23 D CB 0.234 40.901 40.800 -0.222 0.000 0.917 23 D HN 0.333 nan 8.370 nan 0.000 0.524 24 H N -1.204 117.868 119.070 0.003 0.000 2.676 24 H HA 0.422 4.978 4.556 -0.000 0.000 0.238 24 H C 1.172 176.554 175.328 0.090 0.000 1.276 24 H CA -0.090 56.024 56.048 0.110 0.000 0.983 24 H CB 0.724 30.649 29.762 0.271 0.000 2.000 24 H HN 0.005 nan 8.280 nan 0.000 0.584 25 G N 0.044 108.904 108.800 0.101 0.000 2.155 25 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.257 25 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.257 25 G C 1.307 176.251 174.900 0.074 0.000 0.983 25 G CA 0.562 45.706 45.100 0.074 0.000 0.676 25 G HN 1.267 nan 8.290 nan 0.000 0.528 26 G N -1.275 107.575 108.800 0.084 0.000 2.176 26 G HA2 0.185 4.145 3.960 -0.000 0.000 0.253 26 G HA3 0.185 4.145 3.960 -0.000 0.000 0.253 26 G C 0.943 175.906 174.900 0.104 0.000 0.979 26 G CA 1.119 46.260 45.100 0.068 0.000 0.641 26 G HN 2.327 nan 8.290 nan 0.000 0.530 27 A N 0.139 123.050 122.820 0.151 0.000 2.553 27 A HA 0.517 4.837 4.320 -0.000 0.000 0.258 27 A C 1.560 179.275 177.584 0.219 0.000 1.069 27 A CA 1.000 53.132 52.037 0.158 0.000 0.767 27 A CB 0.200 19.300 19.000 0.167 0.000 0.997 27 A HN 1.347 nan 8.150 nan 0.000 0.512 28 L N 4.540 125.848 121.223 0.141 0.000 2.046 28 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 28 L C 0.867 177.829 176.870 0.155 0.000 1.077 28 L CA 1.754 56.687 54.840 0.154 0.000 0.747 28 L CB -0.116 41.988 42.059 0.075 0.000 0.896 28 L HN 0.466 nan 8.230 nan 0.000 0.432 29 V N 0.844 120.776 119.914 0.029 0.000 2.539 29 V HA 0.332 4.452 4.120 -0.000 0.000 0.292 29 V C -2.149 173.807 176.094 -0.231 0.000 1.045 29 V CA -1.631 60.598 62.300 -0.119 0.000 0.945 29 V CB 0.874 32.632 31.823 -0.109 0.000 0.993 29 V HN 0.130 nan 8.190 nan 0.000 0.464 30 P HA 0.222 nan 4.420 nan 0.000 0.271 30 P C -2.534 174.616 177.300 -0.250 0.000 1.216 30 P CA -1.174 61.519 63.100 -0.678 0.000 0.771 30 P CB -0.274 30.790 31.700 -1.060 0.000 0.864 31 P HA 0.008 nan 4.420 nan 0.000 0.268 31 P C -0.569 176.680 177.300 -0.084 0.000 1.205 31 P CA 0.136 63.183 63.100 -0.090 0.000 0.771 31 P CB 0.346 31.993 31.700 -0.088 0.000 0.858 32 V N 4.402 124.249 119.914 -0.112 0.000 2.427 32 V HA 0.010 4.130 4.120 -0.000 0.000 0.268 32 V C 0.185 176.213 176.094 -0.110 0.000 1.046 32 V CA -0.083 62.187 62.300 -0.049 0.000 0.970 32 V CB -0.772 31.025 31.823 -0.043 0.000 1.001 32 V HN 0.387 nan 8.190 nan 0.000 0.476 33 Y N 3.340 123.622 120.300 -0.030 0.000 2.667 33 Y HA 0.277 4.827 4.550 -0.000 0.000 0.340 33 Y C 1.018 176.893 175.900 -0.042 0.000 1.303 33 Y CA -0.236 57.853 58.100 -0.019 0.000 1.769 33 Y CB 0.169 38.653 38.460 0.039 0.000 1.804 33 Y HN 0.629 nan 8.280 nan 0.000 0.451 34 Q N 1.985 121.777 119.800 -0.014 0.000 3.027 34 Q HA 0.162 4.502 4.340 -0.000 0.000 0.260 34 Q C -0.448 175.502 176.000 -0.083 0.000 1.379 34 Q CA 0.033 55.819 55.803 -0.028 0.000 1.038 34 Q CB 0.080 28.797 28.738 -0.035 0.000 1.578 34 Q HN 0.417 nan 8.270 nan 0.000 0.571 35 T N -0.241 114.246 114.554 -0.111 0.000 2.916 35 T HA 0.684 5.033 4.350 -0.000 0.000 0.298 35 T C 0.337 174.879 174.700 -0.264 0.000 1.031 35 T CA 0.069 62.027 62.100 -0.236 0.000 0.993 35 T CB 1.291 69.912 68.868 -0.412 0.000 1.045 35 T HN 0.372 nan 8.240 nan 0.000 0.454 36 A N 3.335 126.019 122.820 -0.226 0.000 1.874 36 A HA 0.318 4.638 4.320 -0.000 0.000 0.214 36 A C 1.341 178.803 177.584 -0.204 0.000 1.189 36 A CA 0.994 52.899 52.037 -0.220 0.000 0.615 36 A CB -0.460 18.470 19.000 -0.117 0.000 0.830 36 A HN 0.689 nan 8.150 nan 0.000 0.443 37 T N -1.533 112.922 114.554 -0.165 0.000 2.942 37 T HA 0.633 4.983 4.350 -0.000 0.000 0.289 37 T C -1.549 172.927 174.700 -0.373 0.000 1.044 37 T CA -0.476 61.633 62.100 0.015 0.000 1.023 37 T CB 0.560 69.538 68.868 0.183 0.000 1.123 37 T HN 0.083 nan 8.240 nan 0.000 0.512 38 F N 1.009 120.979 119.950 0.033 0.000 2.565 38 F HA 0.524 5.051 4.527 -0.000 0.000 0.313 38 F C 0.819 176.431 175.800 -0.313 0.000 1.091 38 F CA -0.862 57.103 58.000 -0.059 0.000 0.915 38 F CB 2.073 41.094 39.000 0.035 0.000 1.208 38 F HN 0.560 nan 8.300 nan 0.000 0.453 39 T N -0.912 113.537 114.554 -0.174 0.000 2.927 39 T HA 0.773 5.123 4.350 -0.000 0.000 0.281 39 T C -0.806 173.617 174.700 -0.463 0.000 0.998 39 T CA -0.517 61.340 62.100 -0.405 0.000 1.019 39 T CB 0.910 69.679 68.868 -0.165 0.000 1.061 39 T HN 0.295 nan 8.240 nan 0.000 0.518 40 F N 0.922 120.906 119.950 0.057 0.000 2.522 40 F HA 0.469 4.996 4.527 -0.000 0.000 0.324 40 F C -1.121 174.626 175.800 -0.089 0.000 1.077 40 F CA -2.492 55.475 58.000 -0.054 0.000 0.944 40 F CB 1.633 40.710 39.000 0.128 0.000 1.175 40 F HN 0.408 nan 8.300 nan 0.000 0.468 41 P HA 0.012 nan 4.420 nan 0.000 0.222 41 P C 0.014 177.359 177.300 0.075 0.000 1.153 41 P CA 0.951 64.043 63.100 -0.013 0.000 0.798 41 P CB 0.223 31.864 31.700 -0.099 0.000 0.796 42 T N -4.090 110.553 114.554 0.148 0.000 2.843 42 T HA 0.334 4.684 4.350 -0.000 0.000 0.302 42 T C 0.902 175.712 174.700 0.183 0.000 1.232 42 T CA -0.295 61.893 62.100 0.147 0.000 1.009 42 T CB 1.708 70.647 68.868 0.119 0.000 1.254 42 T HN -0.177 nan 8.240 nan 0.000 0.504 43 V N -1.054 118.941 119.914 0.135 0.000 2.759 43 V HA 0.022 4.142 4.120 -0.000 0.000 0.256 43 V C 2.110 178.228 176.094 0.040 0.000 1.080 43 V CA 1.455 63.822 62.300 0.111 0.000 1.101 43 V CB -1.330 30.547 31.823 0.091 0.000 0.698 43 V HN 0.836 nan 8.190 nan 0.000 0.477 44 E N 0.221 120.453 120.200 0.053 0.000 2.072 44 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 44 E C 1.939 178.534 176.600 -0.008 0.000 0.985 44 E CA 1.756 58.168 56.400 0.020 0.000 0.801 44 E CB -0.598 29.125 29.700 0.038 0.000 0.750 44 E HN 0.820 nan 8.360 nan 0.000 0.452 45 Y N 0.617 120.865 120.300 -0.086 0.000 2.181 45 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 45 Y C 2.236 177.913 175.900 -0.372 0.000 1.146 45 Y CA 1.757 59.784 58.100 -0.122 0.000 1.164 45 Y CB -0.534 37.927 38.460 0.003 0.000 0.982 45 Y HN 0.074 nan 8.280 nan 0.000 0.515 46 G N 0.197 108.771 108.800 -0.377 0.000 2.514 46 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.217 46 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.217 46 G C 1.829 176.259 174.900 -0.784 0.000 1.198 46 G CA 1.347 45.611 45.100 -1.393 0.000 0.780 46 G HN 0.607 nan 8.290 nan 0.000 0.565 47 A N 1.130 123.805 122.820 -0.242 0.000 1.917 47 A HA 0.144 4.464 4.320 -0.000 0.000 0.219 47 A C 2.828 180.324 177.584 -0.148 0.000 1.182 47 A CA 2.645 54.660 52.037 -0.037 0.000 0.633 47 A CB -0.878 18.102 19.000 -0.033 0.000 0.819 47 A HN 0.991 nan 8.150 nan 0.000 0.448 48 A N -1.535 121.137 122.820 -0.247 0.000 1.972 48 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 48 A C 2.288 179.675 177.584 -0.327 0.000 1.169 48 A CA 1.597 53.479 52.037 -0.258 0.000 0.635 48 A CB -1.137 17.688 19.000 -0.291 0.000 0.810 48 A HN 0.596 nan 8.150 nan 0.000 0.446 49 C N -1.763 117.235 119.300 -0.504 0.000 2.453 49 C HA -0.011 4.449 4.460 -0.000 0.000 0.277 49 C C 2.414 177.158 174.990 -0.410 0.000 1.262 49 C CA 0.853 59.586 59.018 -0.475 0.000 1.718 49 C CB -1.519 25.883 27.740 -0.564 0.000 2.031 49 C HN 0.654 nan 8.230 nan 0.000 0.480 50 F N 1.575 121.279 119.950 -0.410 0.000 2.186 50 F HA 0.003 4.530 4.527 -0.000 0.000 0.299 50 F C 2.500 178.160 175.800 -0.234 0.000 1.090 50 F CA 1.241 58.965 58.000 -0.460 0.000 1.307 50 F CB -1.123 37.597 39.000 -0.466 0.000 1.019 50 F HN 0.158 nan 8.300 nan 0.000 0.489 51 A N -0.326 122.481 122.820 -0.023 0.000 2.121 51 A HA 0.276 4.596 4.320 -0.000 0.000 0.218 51 A C 2.198 179.758 177.584 -0.040 0.000 1.154 51 A CA 1.272 53.289 52.037 -0.034 0.000 0.679 51 A CB -1.236 17.730 19.000 -0.055 0.000 0.795 51 A HN 0.673 nan 8.150 nan 0.000 0.458 52 G N -0.439 108.325 108.800 -0.060 0.000 2.176 52 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.253 52 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.253 52 G C 0.594 175.450 174.900 -0.073 0.000 0.979 52 G CA 0.795 45.868 45.100 -0.046 0.000 0.641 52 G HN 0.904 nan 8.290 nan 0.000 0.530 53 E N -0.569 119.572 120.200 -0.098 0.000 2.489 53 E HA 0.315 4.665 4.350 -0.000 0.000 0.193 53 E C 0.933 177.448 176.600 -0.141 0.000 1.057 53 E CA 0.415 56.755 56.400 -0.099 0.000 0.866 53 E CB 0.241 29.888 29.700 -0.089 0.000 0.916 53 E HN 0.415 nan 8.360 nan 0.000 0.500 54 Q N 1.214 120.894 119.800 -0.199 0.000 2.337 54 Q HA 0.504 4.844 4.340 -0.000 0.000 0.266 54 Q C -1.440 174.420 176.000 -0.234 0.000 1.023 54 Q CA -0.683 54.948 55.803 -0.288 0.000 0.829 54 Q CB 1.963 30.381 28.738 -0.533 0.000 1.306 54 Q HN 0.224 nan 8.270 nan 0.000 0.449 55 A N 2.827 125.537 122.820 -0.183 0.000 2.527 55 A HA 0.715 5.035 4.320 -0.000 0.000 0.313 55 A C 0.099 177.623 177.584 -0.100 0.000 1.410 55 A CA 0.631 52.591 52.037 -0.128 0.000 1.060 55 A CB -0.533 18.424 19.000 -0.071 0.000 1.137 55 A HN 0.798 nan 8.150 nan 0.000 0.542 56 G N 1.090 109.794 108.800 -0.161 0.000 2.561 56 G HA2 0.578 4.538 3.960 -0.000 0.000 0.310 56 G HA3 0.578 4.538 3.960 -0.000 0.000 0.310 56 G C -1.524 173.155 174.900 -0.368 0.000 1.292 56 G CA -0.640 44.420 45.100 -0.066 0.000 0.811 56 G HN 0.717 nan 8.290 nan 0.000 0.482 57 H N -1.445 117.563 119.070 -0.103 0.000 2.865 57 H HA 0.642 5.198 4.556 -0.000 0.000 0.372 57 H C -0.042 175.258 175.328 -0.047 0.000 1.173 57 H CA -0.420 55.346 56.048 -0.470 0.000 1.147 57 H CB 1.968 30.913 29.762 -1.361 0.000 1.805 57 H HN 0.531 nan 8.280 nan 0.000 0.553 58 F N -2.183 117.867 119.950 0.166 0.000 2.828 58 F HA 0.370 4.897 4.527 -0.000 0.000 0.368 58 F C -0.952 175.231 175.800 0.638 0.000 0.877 58 F CA -0.478 57.775 58.000 0.421 0.000 1.071 58 F CB 1.025 40.266 39.000 0.401 0.000 1.006 58 F HN 0.361 nan 8.300 nan 0.000 0.598 59 Y N 1.260 121.548 120.300 -0.020 0.000 2.313 59 Y HA 0.452 5.002 4.550 -0.000 0.000 0.320 59 Y C 0.908 176.846 175.900 0.063 0.000 1.171 59 Y CA -1.415 56.797 58.100 0.187 0.000 1.093 59 Y CB 1.833 40.483 38.460 0.318 0.000 1.224 59 Y HN 0.017 nan 8.280 nan 0.000 0.421 60 S N 3.331 118.956 115.700 -0.125 0.000 2.420 60 S HA -0.229 4.241 4.470 -0.000 0.000 0.237 60 S C 2.010 176.524 174.600 -0.143 0.000 1.023 60 S CA 1.866 60.010 58.200 -0.093 0.000 0.991 60 S CB -0.136 63.020 63.200 -0.074 0.000 0.792 60 S HN 0.756 nan 8.310 nan 0.000 0.488 61 R N 0.453 120.814 120.500 -0.232 0.000 2.120 61 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 61 R C 1.812 178.147 176.300 0.060 0.000 1.123 61 R CA 1.265 57.354 56.100 -0.018 0.000 0.975 61 R CB -0.209 30.171 30.300 0.133 0.000 0.866 61 R HN 0.340 nan 8.270 nan 0.000 0.446 62 I N -0.884 119.731 120.570 0.076 0.000 2.339 62 I HA 0.005 4.175 4.170 -0.000 0.000 0.245 62 I C 0.548 176.647 176.117 -0.031 0.000 1.096 62 I CA 0.795 62.127 61.300 0.053 0.000 1.408 62 I CB 0.379 38.424 38.000 0.076 0.000 1.092 62 I HN 0.070 nan 8.210 nan 0.000 0.423 63 S N 0.130 115.769 115.700 -0.102 0.000 2.548 63 S HA 0.362 4.832 4.470 -0.000 0.000 0.278 63 S C -1.424 173.178 174.600 0.002 0.000 1.150 63 S CA -0.863 57.302 58.200 -0.058 0.000 0.907 63 S CB 0.802 63.928 63.200 -0.123 0.000 1.108 63 S HN 0.200 nan 8.310 nan 0.000 0.459 64 N N 3.778 122.474 118.700 -0.006 0.000 2.249 64 N HA 0.480 5.220 4.740 -0.000 0.000 0.296 64 N C -2.374 172.998 175.510 -0.230 0.000 1.051 64 N CA -2.002 50.979 53.050 -0.115 0.000 0.815 64 N CB 2.303 40.794 38.487 0.006 0.000 1.487 64 N HN 0.270 nan 8.380 nan 0.000 0.475 65 P HA -0.155 nan 4.420 nan 0.000 0.215 65 P C 1.375 178.544 177.300 -0.218 0.000 1.157 65 P CA 2.092 64.874 63.100 -0.532 0.000 0.874 65 P CB 0.069 31.138 31.700 -1.052 0.000 0.790 66 T N -2.904 111.590 114.554 -0.099 0.000 2.942 66 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 66 T C 1.758 176.437 174.700 -0.036 0.000 1.062 66 T CA 0.756 62.839 62.100 -0.028 0.000 1.139 66 T CB -0.987 67.905 68.868 0.041 0.000 0.883 66 T HN -0.167 nan 8.240 nan 0.000 0.468 67 L N 2.047 123.255 121.223 -0.025 0.000 2.093 67 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 67 L C 2.573 179.438 176.870 -0.007 0.000 1.085 67 L CA 1.358 56.191 54.840 -0.012 0.000 0.755 67 L CB -0.867 41.190 42.059 -0.002 0.000 0.904 67 L HN 0.268 nan 8.230 nan 0.000 0.435 68 N N -0.593 118.101 118.700 -0.009 0.000 2.104 68 N HA -0.199 4.540 4.740 -0.000 0.000 0.190 68 N C 1.790 177.310 175.510 0.016 0.000 1.024 68 N CA 1.154 54.212 53.050 0.014 0.000 0.853 68 N CB -0.476 38.032 38.487 0.036 0.000 1.008 68 N HN 0.169 nan 8.380 nan 0.000 0.424 69 L N 0.836 122.058 121.223 -0.003 0.000 2.083 69 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 69 L C 1.990 178.866 176.870 0.010 0.000 1.083 69 L CA 1.216 56.059 54.840 0.004 0.000 0.752 69 L CB -0.845 41.190 42.059 -0.042 0.000 0.899 69 L HN 0.176 nan 8.230 nan 0.000 0.433 70 L N -0.748 120.469 121.223 -0.009 0.000 2.093 70 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 70 L C 2.240 179.117 176.870 0.011 0.000 1.085 70 L CA 1.621 56.456 54.840 -0.009 0.000 0.755 70 L CB -0.627 41.419 42.059 -0.021 0.000 0.904 70 L HN 0.358 nan 8.230 nan 0.000 0.435 71 E N 0.004 120.216 120.200 0.020 0.000 2.047 71 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 71 E C 2.224 178.851 176.600 0.044 0.000 0.987 71 E CA 1.198 57.616 56.400 0.030 0.000 0.799 71 E CB -0.351 29.368 29.700 0.030 0.000 0.752 71 E HN 0.670 nan 8.360 nan 0.000 0.449 72 A N 1.188 124.048 122.820 0.067 0.000 1.930 72 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 72 A C 2.078 179.761 177.584 0.166 0.000 1.175 72 A CA 1.432 53.541 52.037 0.120 0.000 0.627 72 A CB -0.354 18.728 19.000 0.138 0.000 0.815 72 A HN 0.053 nan 8.150 nan 0.000 0.443 73 R N -1.442 119.147 120.500 0.147 0.000 2.075 73 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 73 R C 2.075 178.353 176.300 -0.038 0.000 1.126 73 R CA 1.503 57.672 56.100 0.115 0.000 0.963 73 R CB -0.226 30.116 30.300 0.070 0.000 0.858 73 R HN 0.359 nan 8.270 nan 0.000 0.435 74 M N 0.080 119.666 119.600 -0.022 0.000 2.175 74 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 74 M C 2.289 178.570 176.300 -0.031 0.000 1.063 74 M CA 1.532 56.810 55.300 -0.038 0.000 1.119 74 M CB -0.870 31.722 32.600 -0.012 0.000 1.377 74 M HN 0.291 nan 8.290 nan 0.000 0.415 75 A N -0.807 122.001 122.820 -0.019 0.000 1.902 75 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 75 A C 2.466 180.001 177.584 -0.081 0.000 1.181 75 A CA 2.232 54.258 52.037 -0.018 0.000 0.623 75 A CB -0.932 18.071 19.000 0.005 0.000 0.818 75 A HN 0.492 nan 8.150 nan 0.000 0.443 76 S N -0.474 115.107 115.700 -0.197 0.000 2.368 76 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 76 S C 1.924 176.377 174.600 -0.245 0.000 1.030 76 S CA 1.414 59.400 58.200 -0.357 0.000 0.999 76 S CB -0.471 62.176 63.200 -0.921 0.000 0.844 76 S HN 0.489 nan 8.310 nan 0.000 0.459 77 L N 0.734 121.821 121.223 -0.227 0.000 2.093 77 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 77 L C 2.546 179.437 176.870 0.035 0.000 1.085 77 L CA 1.077 55.794 54.840 -0.205 0.000 0.755 77 L CB -0.404 41.492 42.059 -0.271 0.000 0.904 77 L HN 0.313 nan 8.230 nan 0.000 0.435 78 E N -0.011 120.211 120.200 0.037 0.000 2.478 78 E HA 0.030 4.380 4.350 -0.000 0.000 0.194 78 E C 1.305 177.937 176.600 0.054 0.000 1.045 78 E CA 0.711 57.166 56.400 0.091 0.000 0.868 78 E CB 0.450 30.218 29.700 0.113 0.000 0.885 78 E HN 0.490 nan 8.360 nan 0.000 0.505 79 G N 1.317 110.125 108.800 0.014 0.000 2.160 79 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 79 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 79 G C 0.489 175.393 174.900 0.007 0.000 1.022 79 G CA 0.229 45.332 45.100 0.005 0.000 0.741 79 G HN 0.464 nan 8.290 nan 0.000 0.508 80 G N -1.313 107.491 108.800 0.006 0.000 2.521 80 G HA2 0.652 4.612 3.960 -0.000 0.000 0.323 80 G HA3 0.652 4.612 3.960 -0.000 0.000 0.323 80 G C 0.568 175.474 174.900 0.009 0.000 1.211 80 G CA 0.239 45.347 45.100 0.013 0.000 0.979 80 G HN 0.297 nan 8.290 nan 0.000 0.490 81 E N -0.397 119.812 120.200 0.016 0.000 2.122 81 E HA 0.279 4.629 4.350 -0.000 0.000 0.190 81 E C 1.022 177.637 176.600 0.024 0.000 0.977 81 E CA 0.853 57.264 56.400 0.019 0.000 0.820 81 E CB 0.294 30.006 29.700 0.019 0.000 0.770 81 E HN 0.466 nan 8.360 nan 0.000 0.462 82 A N 0.694 123.529 122.820 0.026 0.000 2.515 82 A HA 0.742 5.062 4.320 -0.000 0.000 0.296 82 A C -0.434 177.171 177.584 0.035 0.000 1.094 82 A CA -0.219 51.837 52.037 0.031 0.000 0.718 82 A CB 1.997 21.015 19.000 0.029 0.000 1.307 82 A HN 0.136 nan 8.150 nan 0.000 0.408 83 G N -0.400 108.423 108.800 0.037 0.000 2.619 83 G HA2 0.626 4.586 3.960 -0.000 0.000 0.296 83 G HA3 0.626 4.586 3.960 -0.000 0.000 0.296 83 G C -1.742 173.182 174.900 0.041 0.000 1.334 83 G CA -0.463 44.662 45.100 0.042 0.000 0.934 83 G HN 0.852 nan 8.290 nan 0.000 0.476 84 L N 0.701 121.952 121.223 0.046 0.000 2.464 84 L HA 0.730 5.070 4.340 -0.000 0.000 0.266 84 L C -0.345 176.552 176.870 0.044 0.000 0.965 84 L CA -0.882 53.983 54.840 0.042 0.000 0.833 84 L CB 1.851 43.938 42.059 0.046 0.000 1.296 84 L HN 0.768 nan 8.230 nan 0.000 0.405 85 A N 5.193 128.034 122.820 0.035 0.000 2.305 85 A HA 0.831 5.151 4.320 -0.000 0.000 0.322 85 A C -1.099 176.506 177.584 0.034 0.000 1.187 85 A CA -0.371 51.685 52.037 0.033 0.000 0.825 85 A CB 1.193 20.205 19.000 0.021 0.000 1.164 85 A HN 0.591 nan 8.150 nan 0.000 0.498 86 L N 0.784 122.030 121.223 0.037 0.000 2.303 86 L HA 0.638 4.978 4.340 -0.000 0.000 0.256 86 L C 1.427 178.317 176.870 0.034 0.000 1.034 86 L CA -0.196 54.666 54.840 0.036 0.000 0.832 86 L CB 1.606 43.689 42.059 0.040 0.000 1.403 86 L HN 0.738 nan 8.230 nan 0.000 0.419 87 A N 0.051 122.891 122.820 0.033 0.000 2.125 87 A HA 0.152 4.472 4.320 -0.000 0.000 0.219 87 A C 0.772 178.377 177.584 0.035 0.000 1.156 87 A CA 1.611 53.668 52.037 0.034 0.000 0.671 87 A CB -0.569 18.451 19.000 0.033 0.000 0.794 87 A HN 0.783 nan 8.150 nan 0.000 0.459 88 S N -5.112 110.609 115.700 0.034 0.000 2.636 88 S HA 0.508 4.978 4.470 -0.000 0.000 0.266 88 S C 0.911 175.530 174.600 0.032 0.000 1.147 88 S CA 0.078 58.299 58.200 0.035 0.000 0.815 88 S CB 0.694 63.917 63.200 0.039 0.000 1.119 88 S HN 0.740 nan 8.310 nan 0.000 0.470 89 G N 0.545 109.360 108.800 0.027 0.000 2.402 89 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 89 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 89 G C 1.144 176.053 174.900 0.014 0.000 1.162 89 G CA 0.962 46.073 45.100 0.018 0.000 0.777 89 G HN 0.519 nan 8.290 nan 0.000 0.539 90 M N 1.300 120.913 119.600 0.022 0.000 2.213 90 M HA 0.028 4.508 4.480 -0.000 0.000 0.263 90 M C 2.720 178.980 176.300 -0.067 0.000 1.062 90 M CA 0.981 56.278 55.300 -0.005 0.000 1.105 90 M CB -1.480 31.140 32.600 0.035 0.000 1.385 90 M HN 0.271 nan 8.290 nan 0.000 0.417 91 G N -0.571 108.217 108.800 -0.020 0.000 2.421 91 G HA2 0.019 3.979 3.960 -0.000 0.000 0.217 91 G HA3 0.019 3.979 3.960 -0.000 0.000 0.217 91 G C 1.649 176.546 174.900 -0.005 0.000 1.143 91 G CA 0.947 46.040 45.100 -0.012 0.000 0.784 91 G HN 0.533 nan 8.290 nan 0.000 0.541 92 A N 1.149 123.974 122.820 0.008 0.000 1.897 92 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 92 A C 2.371 179.964 177.584 0.014 0.000 1.181 92 A CA 1.492 53.546 52.037 0.027 0.000 0.620 92 A CB -0.360 18.669 19.000 0.049 0.000 0.821 92 A HN 0.705 nan 8.150 nan 0.000 0.443 93 I N -0.946 119.617 120.570 -0.011 0.000 2.286 93 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 93 I C 2.319 178.338 176.117 -0.164 0.000 1.104 93 I CA 2.399 63.682 61.300 -0.029 0.000 1.397 93 I CB -0.910 37.095 38.000 0.009 0.000 1.072 93 I HN 0.295 nan 8.210 nan 0.000 0.417 94 T N -1.702 112.640 114.554 -0.354 0.000 2.777 94 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 94 T C 1.994 176.616 174.700 -0.130 0.000 1.040 94 T CA 1.585 63.293 62.100 -0.654 0.000 1.141 94 T CB -0.961 67.414 68.868 -0.821 0.000 0.868 94 T HN 0.397 nan 8.240 nan 0.000 0.444 95 S N 1.128 116.845 115.700 0.028 0.000 2.382 95 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 95 S C 2.290 176.967 174.600 0.129 0.000 1.027 95 S CA 1.617 59.904 58.200 0.145 0.000 0.991 95 S CB -0.808 62.447 63.200 0.092 0.000 0.823 95 S HN 0.686 nan 8.310 nan 0.000 0.469 96 T N 2.397 116.990 114.554 0.065 0.000 2.732 96 T HA 0.049 4.399 4.350 -0.000 0.000 0.261 96 T C 1.653 176.393 174.700 0.067 0.000 1.040 96 T CA 0.777 62.918 62.100 0.069 0.000 1.145 96 T CB -0.285 68.621 68.868 0.064 0.000 0.866 96 T HN 0.115 nan 8.240 nan 0.000 0.427 97 L N -0.244 120.986 121.223 0.012 0.000 2.131 97 L HA 0.053 4.393 4.340 -0.000 0.000 0.210 97 L C 1.998 178.893 176.870 0.041 0.000 1.092 97 L CA 1.201 56.027 54.840 -0.023 0.000 0.759 97 L CB -1.334 40.681 42.059 -0.074 0.000 0.903 97 L HN 0.460 nan 8.230 nan 0.000 0.435 98 W N -0.266 121.099 121.300 0.109 0.000 2.363 98 W HA -0.237 4.423 4.660 -0.000 0.000 0.296 98 W C 2.639 179.176 176.519 0.030 0.000 1.212 98 W CA 1.232 58.618 57.345 0.069 0.000 1.260 98 W CB -0.191 29.294 29.460 0.042 0.000 1.131 98 W HN 0.258 nan 8.180 nan 0.000 0.530 99 T N -1.442 113.273 114.554 0.269 0.000 3.043 99 T HA -0.015 4.335 4.350 -0.000 0.000 0.263 99 T C 1.502 176.273 174.700 0.119 0.000 1.094 99 T CA 0.783 62.981 62.100 0.164 0.000 1.127 99 T CB -0.245 68.697 68.868 0.122 0.000 0.905 99 T HN 0.100 nan 8.240 nan 0.000 0.490 100 L N -0.192 121.095 121.223 0.106 0.000 2.477 100 L HA 0.472 4.812 4.340 -0.000 0.000 0.220 100 L C 0.474 177.381 176.870 0.061 0.000 1.106 100 L CA 0.110 54.994 54.840 0.072 0.000 0.851 100 L CB 0.039 42.133 42.059 0.058 0.000 0.994 100 L HN 0.226 nan 8.230 nan 0.000 0.462 101 L N -0.152 121.115 121.223 0.073 0.000 2.342 101 L HA 0.577 4.917 4.340 -0.000 0.000 0.271 101 L C -0.349 176.577 176.870 0.094 0.000 1.008 101 L CA -0.683 54.188 54.840 0.053 0.000 0.818 101 L CB 1.714 43.769 42.059 -0.007 0.000 1.296 101 L HN -0.061 nan 8.230 nan 0.000 0.427 102 R N 1.039 121.582 120.500 0.071 0.000 2.774 102 R HA 0.492 4.832 4.340 -0.000 0.000 0.272 102 R C -2.731 173.609 176.300 0.068 0.000 1.000 102 R CA -2.588 53.564 56.100 0.085 0.000 0.906 102 R CB 1.607 31.947 30.300 0.068 0.000 1.227 102 R HN 0.181 nan 8.270 nan 0.000 0.468 103 P HA 0.042 nan 4.420 nan 0.000 0.263 103 P C 0.674 177.994 177.300 0.033 0.000 1.175 103 P CA 1.329 64.467 63.100 0.063 0.000 0.761 103 P CB 0.419 32.164 31.700 0.075 0.000 0.794 104 G N 1.878 110.687 108.800 0.014 0.000 2.284 104 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.230 104 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.230 104 G C 0.126 175.024 174.900 -0.004 0.000 1.021 104 G CA -0.183 44.919 45.100 0.004 0.000 0.619 104 G HN 0.517 nan 8.290 nan 0.000 0.510 105 D N 1.372 121.771 120.400 -0.001 0.000 2.382 105 D HA 0.469 5.108 4.640 -0.000 0.000 0.240 105 D C 0.361 176.641 176.300 -0.033 0.000 1.146 105 D CA 0.393 54.388 54.000 -0.008 0.000 0.897 105 D CB 0.783 41.582 40.800 -0.001 0.000 1.197 105 D HN 0.406 nan 8.370 nan 0.000 0.432 106 E N 0.339 120.518 120.200 -0.034 0.000 2.199 106 E HA 0.469 4.819 4.350 -0.000 0.000 0.269 106 E C -1.451 175.113 176.600 -0.059 0.000 0.899 106 E CA -0.816 55.551 56.400 -0.055 0.000 0.772 106 E CB 2.531 32.204 29.700 -0.044 0.000 1.155 106 E HN 0.102 nan 8.360 nan 0.000 0.408 107 V N 6.252 126.111 119.914 -0.092 0.000 2.525 107 V HA 0.379 4.499 4.120 -0.000 0.000 0.299 107 V C -0.962 175.076 176.094 -0.095 0.000 1.034 107 V CA -0.587 61.664 62.300 -0.082 0.000 0.863 107 V CB 1.262 33.014 31.823 -0.118 0.000 0.999 107 V HN 0.594 nan 8.190 nan 0.000 0.423 108 L N 7.455 128.654 121.223 -0.040 0.000 2.276 108 L HA 0.546 4.886 4.340 -0.000 0.000 0.286 108 L C -0.529 176.357 176.870 0.025 0.000 1.061 108 L CA -0.275 54.544 54.840 -0.035 0.000 0.807 108 L CB 1.330 43.380 42.059 -0.015 0.000 1.177 108 L HN 0.504 nan 8.230 nan 0.000 0.429 109 L N 2.005 123.214 121.223 -0.023 0.000 2.319 109 L HA 0.641 4.981 4.340 -0.000 0.000 0.267 109 L C 0.753 177.792 176.870 0.282 0.000 1.011 109 L CA -0.757 54.154 54.840 0.118 0.000 0.818 109 L CB 1.482 43.485 42.059 -0.093 0.000 1.316 109 L HN 0.562 nan 8.230 nan 0.000 0.432 110 G N 0.013 109.044 108.800 0.385 0.000 2.554 110 G HA2 0.024 3.984 3.960 -0.000 0.000 0.238 110 G HA3 0.024 3.984 3.960 -0.000 0.000 0.238 110 G C 0.653 175.769 174.900 0.359 0.000 1.259 110 G CA -0.218 45.071 45.100 0.315 0.000 0.843 110 G HN 0.915 nan 8.290 nan 0.000 0.582 111 N N -0.574 118.225 118.700 0.166 0.000 2.192 111 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 111 N C 0.989 176.458 175.510 -0.067 0.000 1.013 111 N CA 1.701 54.766 53.050 0.025 0.000 0.863 111 N CB -0.331 38.099 38.487 -0.094 0.000 0.990 111 N HN 0.601 nan 8.380 nan 0.000 0.430 112 T N -2.398 112.174 114.554 0.031 0.000 2.893 112 T HA 0.739 5.088 4.350 -0.000 0.000 0.291 112 T C -0.581 174.214 174.700 0.158 0.000 1.028 112 T CA -1.026 61.088 62.100 0.024 0.000 0.995 112 T CB 2.009 70.871 68.868 -0.010 0.000 1.051 112 T HN 0.042 nan 8.240 nan 0.000 0.470 113 L N 1.362 122.695 121.223 0.183 0.000 2.415 113 L HA 0.491 4.831 4.340 -0.000 0.000 0.256 113 L C -0.922 176.108 176.870 0.268 0.000 1.010 113 L CA -1.614 53.407 54.840 0.303 0.000 0.826 113 L CB 2.069 44.412 42.059 0.474 0.000 1.405 113 L HN 0.783 nan 8.230 nan 0.000 0.410 114 Y N 0.852 121.262 120.300 0.182 0.000 2.811 114 Y HA 0.049 4.599 4.550 -0.000 0.000 0.334 114 Y C 1.306 177.316 175.900 0.183 0.000 1.247 114 Y CA 0.827 59.019 58.100 0.153 0.000 1.526 114 Y CB 1.299 39.854 38.460 0.159 0.000 1.284 114 Y HN 0.728 nan 8.280 nan 0.000 0.586 115 G N 3.383 111.899 108.800 -0.473 0.000 2.624 115 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.221 115 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.221 115 G C 1.444 176.234 174.900 -0.184 0.000 1.169 115 G CA 1.404 46.294 45.100 -0.351 0.000 0.771 115 G HN 0.816 nan 8.290 nan 0.000 0.598 116 C N 0.101 119.164 119.300 -0.396 0.000 2.464 116 C HA 0.103 4.563 4.460 -0.000 0.000 0.278 116 C C 3.174 178.320 174.990 0.261 0.000 1.375 116 C CA 1.182 60.221 59.018 0.034 0.000 1.761 116 C CB -0.933 26.877 27.740 0.116 0.000 1.944 116 C HN 0.458 nan 8.230 nan 0.000 0.509 117 T N 1.069 115.838 114.554 0.358 0.000 2.777 117 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 117 T C 1.489 176.401 174.700 0.355 0.000 1.040 117 T CA 1.487 63.818 62.100 0.386 0.000 1.141 117 T CB -0.396 68.737 68.868 0.442 0.000 0.868 117 T HN 0.593 nan 8.240 nan 0.000 0.444 118 F N 2.103 122.175 119.950 0.203 0.000 2.102 118 F HA -0.009 4.518 4.527 -0.000 0.000 0.298 118 F C 2.441 178.347 175.800 0.176 0.000 1.105 118 F CA 1.186 59.304 58.000 0.197 0.000 1.239 118 F CB -0.445 38.617 39.000 0.102 0.000 0.991 118 F HN 0.134 nan 8.300 nan 0.000 0.474 119 A N -0.011 123.071 122.820 0.437 0.000 1.930 119 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 119 A C 2.060 179.804 177.584 0.267 0.000 1.175 119 A CA 1.478 53.760 52.037 0.408 0.000 0.627 119 A CB -1.528 17.736 19.000 0.441 0.000 0.815 119 A HN 0.594 nan 8.150 nan 0.000 0.443 120 F N 0.352 120.356 119.950 0.091 0.000 2.146 120 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 120 F C 1.774 177.508 175.800 -0.110 0.000 1.096 120 F CA 1.102 59.103 58.000 0.003 0.000 1.275 120 F CB -0.246 38.724 39.000 -0.051 0.000 1.008 120 F HN 0.098 nan 8.300 nan 0.000 0.480 121 L N 0.168 121.141 121.223 -0.417 0.000 2.027 121 L HA -0.199 4.141 4.340 -0.000 0.000 0.206 121 L C 2.726 179.254 176.870 -0.569 0.000 1.074 121 L CA 1.922 56.386 54.840 -0.628 0.000 0.745 121 L CB -1.725 40.103 42.059 -0.385 0.000 0.898 121 L HN 0.298 nan 8.230 nan 0.000 0.433 122 H N -1.341 117.357 119.070 -0.620 0.000 2.403 122 H HA -0.015 4.541 4.556 -0.000 0.000 0.298 122 H C 1.361 176.321 175.328 -0.613 0.000 1.059 122 H CA 1.207 56.820 56.048 -0.725 0.000 1.363 122 H CB 0.488 29.567 29.762 -1.138 0.000 1.410 122 H HN 0.475 nan 8.280 nan 0.000 0.528 123 H N -1.130 117.951 119.070 0.019 0.000 2.755 123 H HA 0.226 4.782 4.556 -0.000 0.000 0.273 123 H C 1.472 176.859 175.328 0.098 0.000 1.055 123 H CA 0.488 56.575 56.048 0.065 0.000 1.191 123 H CB 0.930 30.760 29.762 0.114 0.000 1.536 123 H HN 0.302 nan 8.280 nan 0.000 0.529 124 G N 0.804 109.657 108.800 0.090 0.000 2.930 124 G HA2 0.070 4.030 3.960 -0.000 0.000 0.209 124 G HA3 0.070 4.030 3.960 -0.000 0.000 0.209 124 G C 1.261 176.238 174.900 0.128 0.000 2.018 124 G CA -0.099 45.112 45.100 0.185 0.000 0.751 124 G HN 0.215 nan 8.290 nan 0.000 0.770 125 I N 1.405 121.727 120.570 -0.413 0.000 2.315 125 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 125 I C 2.507 178.547 176.117 -0.128 0.000 1.125 125 I CA 1.825 62.899 61.300 -0.376 0.000 1.392 125 I CB -0.229 37.087 38.000 -1.140 0.000 1.065 125 I HN 0.318 nan 8.210 nan 0.000 0.424 126 G N -0.095 108.528 108.800 -0.294 0.000 2.470 126 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 126 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 126 G C 1.266 176.111 174.900 -0.093 0.000 1.121 126 G CA 0.478 45.433 45.100 -0.240 0.000 0.766 126 G HN 0.556 nan 8.290 nan 0.000 0.553 127 E N -0.698 119.514 120.200 0.020 0.000 2.419 127 E HA 0.188 4.538 4.350 -0.000 0.000 0.190 127 E C -0.284 176.231 176.600 -0.141 0.000 1.040 127 E CA -0.311 56.070 56.400 -0.032 0.000 0.900 127 E CB 0.146 29.834 29.700 -0.021 0.000 1.054 127 E HN 0.471 nan 8.360 nan 0.000 0.462 128 F N 0.103 120.064 119.950 0.019 0.000 2.835 128 F HA 0.280 4.807 4.527 -0.000 0.000 0.342 128 F C 1.215 177.034 175.800 0.031 0.000 1.202 128 F CA -0.193 57.845 58.000 0.063 0.000 1.240 128 F CB 1.357 40.458 39.000 0.167 0.000 1.005 128 F HN 0.072 nan 8.300 nan 0.000 0.507 129 G N 0.240 109.089 108.800 0.082 0.000 2.159 129 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.256 129 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.256 129 G C -0.075 174.836 174.900 0.019 0.000 0.977 129 G CA 0.113 45.238 45.100 0.041 0.000 0.652 129 G HN 0.182 nan 8.290 nan 0.000 0.531 130 V N 1.481 121.395 119.914 0.001 0.000 2.509 130 V HA 0.488 4.608 4.120 -0.000 0.000 0.284 130 V C 0.737 176.764 176.094 -0.112 0.000 1.047 130 V CA -0.746 61.522 62.300 -0.054 0.000 0.952 130 V CB 1.810 33.580 31.823 -0.089 0.000 0.988 130 V HN 0.252 nan 8.190 nan 0.000 0.469 131 K N 4.087 124.422 120.400 -0.108 0.000 2.201 131 K HA 0.466 4.786 4.320 -0.000 0.000 0.278 131 K C -1.395 175.098 176.600 -0.179 0.000 1.027 131 K CA -0.544 55.665 56.287 -0.130 0.000 0.909 131 K CB 1.192 33.640 32.500 -0.088 0.000 1.062 131 K HN 0.309 nan 8.250 nan 0.000 0.465 132 L N 3.172 124.253 121.223 -0.236 0.000 2.330 132 L HA 0.590 4.930 4.340 -0.000 0.000 0.271 132 L C -0.040 176.685 176.870 -0.242 0.000 1.013 132 L CA -0.582 54.074 54.840 -0.306 0.000 0.816 132 L CB 1.242 42.999 42.059 -0.504 0.000 1.287 132 L HN 0.632 nan 8.230 nan 0.000 0.435 133 R N 0.210 120.558 120.500 -0.254 0.000 2.572 133 R HA 0.363 4.703 4.340 -0.000 0.000 0.273 133 R C -1.516 174.684 176.300 -0.166 0.000 1.168 133 R CA -0.690 55.320 56.100 -0.150 0.000 1.021 133 R CB 1.175 31.423 30.300 -0.086 0.000 1.249 133 R HN 0.744 nan 8.270 nan 0.000 0.423 134 H N 1.904 120.993 119.070 0.032 0.000 2.489 134 H HA 0.459 5.015 4.556 -0.000 0.000 0.322 134 H C -0.265 175.078 175.328 0.025 0.000 1.091 134 H CA -0.140 55.944 56.048 0.060 0.000 1.291 134 H CB 1.549 31.372 29.762 0.103 0.000 1.436 134 H HN 0.310 nan 8.280 nan 0.000 0.480 135 V N 0.290 120.288 119.914 0.140 0.000 3.049 135 V HA 0.210 4.330 4.120 -0.000 0.000 0.309 135 V C -0.263 175.855 176.094 0.039 0.000 1.148 135 V CA -1.282 61.053 62.300 0.058 0.000 0.990 135 V CB 2.192 34.022 31.823 0.011 0.000 1.039 135 V HN 0.660 nan 8.190 nan 0.000 0.430 136 D N 3.390 123.795 120.400 0.008 0.000 2.342 136 D HA 0.156 4.796 4.640 -0.000 0.000 0.260 136 D C 0.980 177.273 176.300 -0.012 0.000 1.278 136 D CA -0.178 53.830 54.000 0.014 0.000 0.910 136 D CB 1.223 42.027 40.800 0.007 0.000 1.079 136 D HN 0.500 nan 8.370 nan 0.000 0.496 137 M N 3.045 122.612 119.600 -0.054 0.000 2.686 137 M HA -0.018 4.462 4.480 -0.000 0.000 0.246 137 M C 1.497 177.667 176.300 -0.217 0.000 1.096 137 M CA 0.285 55.438 55.300 -0.244 0.000 1.076 137 M CB -0.800 31.441 32.600 -0.599 0.000 1.504 137 M HN 0.456 nan 8.290 nan 0.000 0.524 138 A N -0.737 122.037 122.820 -0.076 0.000 2.044 138 A HA 0.006 4.326 4.320 -0.000 0.000 0.213 138 A C 0.854 178.401 177.584 -0.061 0.000 1.169 138 A CA 0.281 52.258 52.037 -0.099 0.000 0.724 138 A CB -0.016 18.931 19.000 -0.089 0.000 0.840 138 A HN 0.307 nan 8.150 nan 0.000 0.463 139 D N 0.870 121.250 120.400 -0.033 0.000 2.468 139 D HA 0.270 4.910 4.640 -0.000 0.000 0.218 139 D C 0.684 176.958 176.300 -0.043 0.000 1.155 139 D CA -0.388 53.594 54.000 -0.030 0.000 0.924 139 D CB 0.460 41.250 40.800 -0.016 0.000 1.029 139 D HN -0.016 nan 8.370 nan 0.000 0.515 140 L N 2.641 123.837 121.223 -0.045 0.000 2.265 140 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 140 L C 2.138 178.991 176.870 -0.028 0.000 1.117 140 L CA 1.163 55.978 54.840 -0.042 0.000 0.782 140 L CB -0.819 41.220 42.059 -0.034 0.000 0.914 140 L HN 0.522 nan 8.230 nan 0.000 0.441 141 Q N -0.313 119.474 119.800 -0.022 0.000 2.049 141 Q HA -0.060 4.280 4.340 -0.000 0.000 0.198 141 Q C 2.222 178.211 176.000 -0.018 0.000 0.971 141 Q CA 1.641 57.435 55.803 -0.014 0.000 0.833 141 Q CB 0.115 28.847 28.738 -0.011 0.000 0.896 141 Q HN 0.429 nan 8.270 nan 0.000 0.434 142 A N 1.017 123.824 122.820 -0.022 0.000 1.933 142 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 142 A C 2.090 179.654 177.584 -0.033 0.000 1.175 142 A CA 1.386 53.409 52.037 -0.023 0.000 0.628 142 A CB -0.675 18.312 19.000 -0.021 0.000 0.814 142 A HN 0.411 nan 8.150 nan 0.000 0.444 143 L N -0.015 121.183 121.223 -0.043 0.000 1.994 143 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 143 L C 2.266 179.088 176.870 -0.079 0.000 1.071 143 L CA 2.883 57.687 54.840 -0.060 0.000 0.745 143 L CB -0.756 41.261 42.059 -0.069 0.000 0.892 143 L HN 0.430 nan 8.230 nan 0.000 0.431 144 E N 0.280 120.445 120.200 -0.059 0.000 2.070 144 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 144 E C 2.062 178.631 176.600 -0.051 0.000 1.004 144 E CA 1.842 58.211 56.400 -0.052 0.000 0.805 144 E CB -0.600 29.107 29.700 0.012 0.000 0.744 144 E HN 0.571 nan 8.360 nan 0.000 0.451 145 A N 0.166 122.969 122.820 -0.028 0.000 2.070 145 A HA 0.019 4.339 4.320 -0.000 0.000 0.220 145 A C 2.281 179.844 177.584 -0.034 0.000 1.159 145 A CA 1.823 53.849 52.037 -0.018 0.000 0.656 145 A CB -0.656 18.337 19.000 -0.012 0.000 0.800 145 A HN 0.372 nan 8.150 nan 0.000 0.453 146 A N -1.197 121.588 122.820 -0.057 0.000 2.081 146 A HA 0.307 4.627 4.320 -0.000 0.000 0.214 146 A C 1.089 178.619 177.584 -0.091 0.000 1.158 146 A CA 0.151 52.151 52.037 -0.061 0.000 0.724 146 A CB -0.270 18.698 19.000 -0.055 0.000 0.826 146 A HN 0.397 nan 8.150 nan 0.000 0.463 147 M N 1.667 121.168 119.600 -0.165 0.000 2.251 147 M HA 0.183 4.663 4.480 -0.000 0.000 0.343 147 M C 0.516 176.757 176.300 -0.098 0.000 1.245 147 M CA 0.680 55.827 55.300 -0.254 0.000 1.061 147 M CB -0.343 31.788 32.600 -0.783 0.000 1.723 147 M HN 0.498 nan 8.290 nan 0.000 0.449 148 T N 0.268 114.796 114.554 -0.044 0.000 2.865 148 T HA 0.616 4.966 4.350 -0.000 0.000 0.294 148 T C -2.381 172.351 174.700 0.053 0.000 1.119 148 T CA -1.497 60.614 62.100 0.017 0.000 1.007 148 T CB 1.893 70.760 68.868 -0.002 0.000 1.225 148 T HN 0.335 nan 8.240 nan 0.000 0.515 149 P HA 0.181 nan 4.420 nan 0.000 0.230 149 P C 1.143 178.465 177.300 0.038 0.000 1.158 149 P CA 0.544 63.680 63.100 0.059 0.000 0.769 149 P CB -0.220 31.505 31.700 0.042 0.000 0.807 150 A N -1.184 121.649 122.820 0.021 0.000 2.218 150 A HA 0.061 4.381 4.320 -0.000 0.000 0.209 150 A C 0.955 178.540 177.584 0.002 0.000 1.168 150 A CA 0.497 52.539 52.037 0.008 0.000 0.804 150 A CB -1.157 17.841 19.000 -0.003 0.000 0.834 150 A HN 0.100 nan 8.150 nan 0.000 0.482 151 T N 0.564 115.120 114.554 0.003 0.000 2.750 151 T HA 0.215 4.564 4.350 -0.000 0.000 0.286 151 T C 1.064 175.772 174.700 0.013 0.000 0.911 151 T CA 0.256 62.351 62.100 -0.008 0.000 1.130 151 T CB 0.861 69.709 68.868 -0.033 0.000 0.873 151 T HN 0.425 nan 8.240 nan 0.000 0.536 152 R N 3.186 123.692 120.500 0.010 0.000 2.221 152 R HA 0.320 4.660 4.340 -0.000 0.000 0.195 152 R C -0.102 176.216 176.300 0.030 0.000 0.956 152 R CA 0.520 56.634 56.100 0.023 0.000 1.064 152 R CB 0.517 30.829 30.300 0.019 0.000 1.049 152 R HN 0.485 nan 8.270 nan 0.000 0.534 153 V N 1.157 121.086 119.914 0.025 0.000 2.841 153 V HA 0.452 4.572 4.120 -0.000 0.000 0.310 153 V C -0.894 175.242 176.094 0.069 0.000 1.090 153 V CA -0.844 61.485 62.300 0.049 0.000 0.930 153 V CB 2.361 34.209 31.823 0.042 0.000 1.014 153 V HN 0.023 nan 8.190 nan 0.000 0.425 154 I N 4.402 125.040 120.570 0.112 0.000 2.382 154 I HA 0.462 4.632 4.170 -0.000 0.000 0.286 154 I C -1.429 174.835 176.117 0.245 0.000 1.002 154 I CA -0.553 60.848 61.300 0.168 0.000 1.135 154 I CB 1.460 39.560 38.000 0.166 0.000 1.288 154 I HN 0.643 nan 8.210 nan 0.000 0.448 155 Y N 8.823 129.206 120.300 0.139 0.000 2.391 155 Y HA 0.724 5.274 4.550 -0.000 0.000 0.341 155 Y C -1.189 174.848 175.900 0.228 0.000 0.965 155 Y CA -0.883 57.264 58.100 0.080 0.000 1.067 155 Y CB 1.407 39.879 38.460 0.021 0.000 1.199 155 Y HN 0.481 nan 8.280 nan 0.000 0.450 156 F N 1.376 121.065 119.950 -0.435 0.000 2.773 156 F HA 0.662 5.189 4.527 -0.000 0.000 0.314 156 F C -1.860 173.726 175.800 -0.357 0.000 1.160 156 F CA -1.326 56.535 58.000 -0.232 0.000 0.920 156 F CB 1.189 40.157 39.000 -0.053 0.000 1.323 156 F HN 0.346 nan 8.300 nan 0.000 0.457 157 E N 0.312 120.515 120.200 0.005 0.000 2.202 157 E HA 0.646 4.996 4.350 -0.000 0.000 0.272 157 E C -1.398 175.275 176.600 0.122 0.000 0.951 157 E CA -1.245 55.100 56.400 -0.091 0.000 0.813 157 E CB 2.015 31.666 29.700 -0.082 0.000 1.151 157 E HN 0.643 nan 8.360 nan 0.000 0.398 158 S N 2.429 118.151 115.700 0.036 0.000 2.706 158 S HA 0.321 4.791 4.470 -0.000 0.000 0.270 158 S C -2.736 171.892 174.600 0.047 0.000 1.163 158 S CA -1.375 56.889 58.200 0.106 0.000 1.042 158 S CB 0.762 64.106 63.200 0.241 0.000 1.079 158 S HN 0.281 nan 8.310 nan 0.000 0.474 159 P HA 0.421 nan 4.420 nan 0.000 0.272 159 P C -1.087 176.197 177.300 -0.028 0.000 1.230 159 P CA -0.436 62.701 63.100 0.060 0.000 0.788 159 P CB 0.681 32.450 31.700 0.117 0.000 0.949 160 A N 2.011 124.859 122.820 0.047 0.000 2.342 160 A HA 0.426 4.746 4.320 -0.000 0.000 0.323 160 A C 0.034 177.642 177.584 0.040 0.000 1.125 160 A CA -0.764 51.281 52.037 0.015 0.000 0.785 160 A CB 0.044 19.112 19.000 0.114 0.000 1.221 160 A HN 0.546 nan 8.150 nan 0.000 0.463 161 N N 1.996 120.696 118.700 -0.000 0.000 2.381 161 N HA 0.293 5.033 4.740 -0.000 0.000 0.241 161 N C -1.705 173.821 175.510 0.025 0.000 1.279 161 N CA -0.591 52.497 53.050 0.063 0.000 0.896 161 N CB 0.822 39.372 38.487 0.105 0.000 1.118 161 N HN 0.488 nan 8.380 nan 0.000 0.438 162 P HA 0.161 nan 4.420 nan 0.000 0.267 162 P C -0.493 176.763 177.300 -0.074 0.000 1.289 162 P CA 0.524 63.626 63.100 0.003 0.000 0.866 162 P CB 0.516 32.200 31.700 -0.028 0.000 1.309 163 N N 0.360 118.978 118.700 -0.137 0.000 2.230 163 N HA 0.154 4.894 4.740 -0.000 0.000 0.202 163 N C 0.467 176.081 175.510 0.173 0.000 1.119 163 N CA -0.040 52.850 53.050 -0.268 0.000 0.851 163 N CB -0.241 38.050 38.487 -0.327 0.000 0.990 163 N HN -0.145 nan 8.380 nan 0.000 0.497 164 M N -0.350 119.378 119.600 0.213 0.000 2.751 164 M HA -0.215 4.265 4.480 -0.000 0.000 0.199 164 M C -0.087 176.434 176.300 0.368 0.000 0.550 164 M CA 0.435 55.914 55.300 0.297 0.000 0.640 164 M CB -3.049 29.737 32.600 0.309 0.000 2.351 164 M HN 0.343 nan 8.290 nan 0.000 0.613 165 H N 1.110 120.267 119.070 0.144 0.000 3.125 165 H HA 0.264 4.819 4.556 -0.000 0.000 0.310 165 H C 0.387 175.765 175.328 0.084 0.000 0.980 165 H CA 1.018 57.109 56.048 0.071 0.000 1.422 165 H CB 0.570 30.332 29.762 -0.000 0.000 1.432 165 H HN 0.274 nan 8.280 nan 0.000 0.577 166 M N 3.490 122.884 119.600 -0.343 0.000 2.409 166 M HA 0.481 4.961 4.480 -0.000 0.000 0.329 166 M C 0.059 176.137 176.300 -0.371 0.000 1.180 166 M CA -0.798 54.372 55.300 -0.216 0.000 1.053 166 M CB 1.558 34.106 32.600 -0.087 0.000 1.586 166 M HN 0.697 nan 8.290 nan 0.000 0.461 167 A N 0.895 123.600 122.820 -0.192 0.000 2.355 167 A HA 0.451 4.771 4.320 -0.000 0.000 0.324 167 A C -0.591 176.882 177.584 -0.184 0.000 1.117 167 A CA -0.572 51.297 52.037 -0.280 0.000 0.785 167 A CB 0.818 19.495 19.000 -0.537 0.000 1.254 167 A HN 0.761 nan 8.150 nan 0.000 0.453 168 D N 2.670 122.953 120.400 -0.196 0.000 2.551 168 D HA 0.191 4.831 4.640 -0.000 0.000 0.223 168 D C 1.125 177.379 176.300 -0.076 0.000 1.144 168 D CA -0.134 53.800 54.000 -0.109 0.000 1.025 168 D CB -0.324 40.418 40.800 -0.097 0.000 1.085 168 D HN 0.451 nan 8.370 nan 0.000 0.506 169 I N 1.657 122.228 120.570 0.002 0.000 2.151 169 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 169 I C 2.334 178.493 176.117 0.071 0.000 1.080 169 I CA 1.372 62.741 61.300 0.114 0.000 1.339 169 I CB -0.183 37.914 38.000 0.161 0.000 1.039 169 I HN 0.336 nan 8.210 nan 0.000 0.409 170 A N 0.740 123.580 122.820 0.033 0.000 1.969 170 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 170 A C 2.407 180.001 177.584 0.016 0.000 1.169 170 A CA 1.770 53.822 52.037 0.024 0.000 0.635 170 A CB -1.209 17.798 19.000 0.011 0.000 0.810 170 A HN 0.493 nan 8.150 nan 0.000 0.445 171 G N -0.735 108.065 108.800 -0.001 0.000 2.396 171 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.214 171 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.214 171 G C 1.465 176.362 174.900 -0.004 0.000 1.166 171 G CA 1.056 46.150 45.100 -0.009 0.000 0.793 171 G HN 0.280 nan 8.290 nan 0.000 0.533 172 V N 1.672 121.577 119.914 -0.015 0.000 2.343 172 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 172 V C 3.322 179.445 176.094 0.049 0.000 1.051 172 V CA 1.947 64.244 62.300 -0.005 0.000 1.036 172 V CB -0.789 31.013 31.823 -0.035 0.000 0.654 172 V HN 0.446 nan 8.190 nan 0.000 0.451 173 A N -0.428 122.432 122.820 0.067 0.000 1.972 173 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 173 A C 2.342 179.959 177.584 0.056 0.000 1.169 173 A CA 2.146 54.225 52.037 0.069 0.000 0.635 173 A CB -0.469 18.568 19.000 0.062 0.000 0.810 173 A HN 0.527 nan 8.150 nan 0.000 0.446 174 K N -0.220 120.207 120.400 0.044 0.000 2.002 174 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 174 K C 1.852 178.491 176.600 0.065 0.000 1.048 174 K CA 1.773 58.086 56.287 0.043 0.000 0.930 174 K CB -0.333 32.185 32.500 0.030 0.000 0.714 174 K HN 0.503 nan 8.250 nan 0.000 0.438 175 I N 0.899 121.511 120.570 0.070 0.000 2.286 175 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 175 I C 2.452 178.671 176.117 0.169 0.000 1.115 175 I CA 1.196 62.568 61.300 0.120 0.000 1.392 175 I CB -0.326 37.705 38.000 0.051 0.000 1.065 175 I HN 0.278 nan 8.210 nan 0.000 0.418 176 A N 0.487 123.367 122.820 0.100 0.000 1.930 176 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 176 A C 2.336 179.986 177.584 0.109 0.000 1.175 176 A CA 1.389 53.486 52.037 0.101 0.000 0.627 176 A CB -0.465 18.582 19.000 0.079 0.000 0.815 176 A HN 0.238 nan 8.150 nan 0.000 0.443 177 R N -0.211 120.339 120.500 0.085 0.000 2.096 177 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 177 R C 2.235 178.568 176.300 0.055 0.000 1.127 177 R CA 1.843 57.979 56.100 0.061 0.000 0.968 177 R CB -0.223 30.104 30.300 0.045 0.000 0.861 177 R HN 0.599 nan 8.270 nan 0.000 0.440 178 K N -0.853 119.589 120.400 0.069 0.000 2.025 178 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 178 K C 1.378 177.945 176.600 -0.055 0.000 1.049 178 K CA 1.353 57.641 56.287 0.002 0.000 0.933 178 K CB 0.023 32.522 32.500 -0.003 0.000 0.714 178 K HN 0.409 nan 8.250 nan 0.000 0.438 179 H N -1.295 117.782 119.070 0.012 0.000 2.548 179 H HA 0.082 4.638 4.556 -0.000 0.000 0.265 179 H C 0.671 176.007 175.328 0.014 0.000 0.969 179 H CA 0.756 56.811 56.048 0.012 0.000 1.155 179 H CB 0.711 30.480 29.762 0.012 0.000 1.394 179 H HN 0.546 nan 8.280 nan 0.000 0.570 180 G N 1.127 109.997 108.800 0.116 0.000 2.212 180 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.255 180 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.255 180 G C 0.146 175.091 174.900 0.075 0.000 1.062 180 G CA 0.265 45.410 45.100 0.075 0.000 0.815 180 G HN 0.653 nan 8.290 nan 0.000 0.497 181 A N -0.578 122.292 122.820 0.085 0.000 2.294 181 A HA 0.916 5.236 4.320 -0.000 0.000 0.330 181 A C 0.437 178.058 177.584 0.061 0.000 1.133 181 A CA 0.237 52.314 52.037 0.066 0.000 0.836 181 A CB 1.160 20.195 19.000 0.058 0.000 1.190 181 A HN 0.746 nan 8.150 nan 0.000 0.492 182 T N 1.264 115.853 114.554 0.057 0.000 2.767 182 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 182 T C -0.348 174.392 174.700 0.066 0.000 0.973 182 T CA -0.215 61.919 62.100 0.056 0.000 0.996 182 T CB 0.934 69.833 68.868 0.051 0.000 0.927 182 T HN 0.394 nan 8.240 nan 0.000 0.456 183 V N 4.577 124.526 119.914 0.059 0.000 2.383 183 V HA 0.361 4.481 4.120 -0.000 0.000 0.275 183 V C -0.040 176.045 176.094 -0.016 0.000 1.036 183 V CA -0.619 61.717 62.300 0.060 0.000 0.889 183 V CB 1.275 33.153 31.823 0.092 0.000 0.985 183 V HN 0.679 nan 8.190 nan 0.000 0.459 184 V N 6.181 126.057 119.914 -0.064 0.000 2.378 184 V HA 0.467 4.587 4.120 -0.000 0.000 0.288 184 V C -0.194 175.578 176.094 -0.537 0.000 1.016 184 V CA -0.529 61.685 62.300 -0.145 0.000 0.840 184 V CB 1.876 33.764 31.823 0.108 0.000 0.994 184 V HN 0.608 nan 8.190 nan 0.000 0.431 185 V N 3.321 122.893 119.914 -0.571 0.000 2.459 185 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 185 V C -0.214 175.522 176.094 -0.597 0.000 1.029 185 V CA -0.637 61.162 62.300 -0.835 0.000 0.874 185 V CB 2.028 33.447 31.823 -0.675 0.000 0.985 185 V HN 0.857 nan 8.190 nan 0.000 0.438 186 D N 3.710 123.728 120.400 -0.637 0.000 2.393 186 D HA 0.094 4.734 4.640 -0.000 0.000 0.232 186 D C 0.406 176.524 176.300 -0.303 0.000 1.192 186 D CA 0.029 53.791 54.000 -0.397 0.000 0.882 186 D CB 0.608 41.228 40.800 -0.300 0.000 1.038 186 D HN 0.519 nan 8.370 nan 0.000 0.499 187 N N 2.276 120.761 118.700 -0.358 0.000 2.295 187 N HA 0.034 4.774 4.740 -0.000 0.000 0.221 187 N C 1.028 176.577 175.510 0.065 0.000 1.129 187 N CA -0.027 52.905 53.050 -0.197 0.000 0.836 187 N CB 0.315 38.663 38.487 -0.232 0.000 1.040 187 N HN 0.237 nan 8.380 nan 0.000 0.494 188 T N -0.645 113.982 114.554 0.121 0.000 2.635 188 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 188 T C 1.294 176.295 174.700 0.502 0.000 1.040 188 T CA 1.462 63.784 62.100 0.371 0.000 1.156 188 T CB -0.463 68.571 68.868 0.276 0.000 0.863 188 T HN 0.411 nan 8.240 nan 0.000 0.430 189 Y N 0.288 120.699 120.300 0.184 0.000 2.128 189 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 189 Y C 3.061 179.032 175.900 0.118 0.000 1.154 189 Y CA 0.617 58.859 58.100 0.238 0.000 1.149 189 Y CB -0.351 38.207 38.460 0.163 0.000 0.976 189 Y HN 0.286 nan 8.280 nan 0.000 0.505 190 C N -1.041 118.394 119.300 0.225 0.000 2.505 190 C HA 0.034 4.494 4.460 -0.000 0.000 0.279 190 C C 1.003 176.020 174.990 0.045 0.000 1.316 190 C CA 0.834 59.889 59.018 0.063 0.000 1.720 190 C CB -1.018 26.754 27.740 0.054 0.000 2.050 190 C HN 0.769 nan 8.230 nan 0.000 0.493 191 T N -2.020 112.642 114.554 0.180 0.000 0.541 191 T HA -0.135 4.215 4.350 -0.000 0.000 0.774 191 T C -2.026 172.802 174.700 0.213 0.000 0.992 191 T CA 0.133 62.355 62.100 0.205 0.000 4.077 191 T CB -1.607 67.326 68.868 0.108 0.000 2.303 191 T HN 0.172 nan 8.240 nan 0.000 0.398 192 P HA -0.030 nan 4.420 nan 0.000 0.231 192 P C 1.183 178.659 177.300 0.293 0.000 1.158 192 P CA 1.329 64.605 63.100 0.294 0.000 0.763 192 P CB -0.292 31.599 31.700 0.318 0.000 0.805 193 Y N 0.065 120.362 120.300 -0.004 0.000 2.420 193 Y HA 0.019 4.569 4.550 -0.000 0.000 0.292 193 Y C 1.772 177.470 175.900 -0.336 0.000 1.119 193 Y CA 0.713 58.495 58.100 -0.530 0.000 1.229 193 Y CB -0.033 38.105 38.460 -0.536 0.000 1.026 193 Y HN -0.236 nan 8.280 nan 0.000 0.554 194 L N 0.180 121.270 121.223 -0.223 0.000 2.638 194 L HA 0.275 4.615 4.340 -0.000 0.000 0.232 194 L C -0.423 176.358 176.870 -0.150 0.000 1.099 194 L CA 0.645 55.333 54.840 -0.253 0.000 0.883 194 L CB 0.329 42.293 42.059 -0.157 0.000 1.136 194 L HN 0.208 nan 8.230 nan 0.000 0.492 195 Q N 0.007 119.767 119.800 -0.066 0.000 2.518 195 Q HA 0.308 4.648 4.340 -0.000 0.000 0.254 195 Q C -1.207 174.811 176.000 0.029 0.000 0.962 195 Q CA -0.449 55.339 55.803 -0.026 0.000 0.982 195 Q CB 1.201 29.931 28.738 -0.013 0.000 1.516 195 Q HN 0.084 nan 8.270 nan 0.000 0.426 196 R N 4.517 125.032 120.500 0.025 0.000 2.494 196 R HA 0.258 4.598 4.340 -0.000 0.000 0.284 196 R C -2.136 174.179 176.300 0.026 0.000 1.525 196 R CA -1.690 54.440 56.100 0.050 0.000 1.460 196 R CB 1.141 31.479 30.300 0.064 0.000 1.134 196 R HN 0.406 nan 8.270 nan 0.000 0.592 197 P HA -0.216 nan 4.420 nan 0.000 0.217 197 P C 1.020 178.322 177.300 0.003 0.000 1.148 197 P CA 1.293 64.391 63.100 -0.004 0.000 0.834 197 P CB 0.248 31.915 31.700 -0.056 0.000 0.783 198 L N -0.656 120.570 121.223 0.006 0.000 2.191 198 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 198 L C 2.078 178.958 176.870 0.017 0.000 1.103 198 L CA 1.408 56.255 54.840 0.011 0.000 0.769 198 L CB -0.855 41.214 42.059 0.017 0.000 0.908 198 L HN 0.089 nan 8.230 nan 0.000 0.438 199 E N -0.195 120.017 120.200 0.020 0.000 2.427 199 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 199 E C 1.308 177.918 176.600 0.016 0.000 1.028 199 E CA 0.394 56.805 56.400 0.018 0.000 0.864 199 E CB 0.230 29.941 29.700 0.019 0.000 0.813 199 E HN 0.319 nan 8.360 nan 0.000 0.514 200 L N -1.008 120.226 121.223 0.019 0.000 2.640 200 L HA 0.283 4.622 4.340 -0.000 0.000 0.230 200 L C 1.399 178.287 176.870 0.030 0.000 1.123 200 L CA 0.677 55.530 54.840 0.022 0.000 0.900 200 L CB 0.761 42.836 42.059 0.026 0.000 1.146 200 L HN 0.190 nan 8.230 nan 0.000 0.484 201 G N -1.430 107.387 108.800 0.028 0.000 2.255 201 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.196 201 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.196 201 G C 0.593 175.515 174.900 0.036 0.000 0.998 201 G CA -0.153 44.967 45.100 0.033 0.000 0.656 201 G HN 0.529 nan 8.290 nan 0.000 0.490 202 A N 0.466 123.304 122.820 0.031 0.000 2.466 202 A HA 0.509 4.829 4.320 -0.000 0.000 0.238 202 A C 1.125 178.713 177.584 0.006 0.000 1.074 202 A CA 1.076 53.121 52.037 0.013 0.000 0.774 202 A CB 0.249 19.227 19.000 -0.037 0.000 1.015 202 A HN 0.217 nan 8.150 nan 0.000 0.498 203 D N -0.096 120.307 120.400 0.004 0.000 2.277 203 D HA 0.194 4.834 4.640 -0.000 0.000 0.209 203 D C 0.022 176.324 176.300 0.003 0.000 0.970 203 D CA 1.091 55.097 54.000 0.011 0.000 0.874 203 D CB 0.188 41.002 40.800 0.024 0.000 0.982 203 D HN 0.417 nan 8.370 nan 0.000 0.504 204 L N 0.316 121.528 121.223 -0.017 0.000 2.424 204 L HA 0.359 4.699 4.340 -0.000 0.000 0.258 204 L C -0.941 175.886 176.870 -0.072 0.000 0.995 204 L CA -1.020 53.808 54.840 -0.019 0.000 0.821 204 L CB 2.969 45.032 42.059 0.007 0.000 1.383 204 L HN -0.263 nan 8.230 nan 0.000 0.410 205 V N 0.065 119.938 119.914 -0.070 0.000 2.735 205 V HA 0.879 4.999 4.120 -0.000 0.000 0.310 205 V C -0.476 175.533 176.094 -0.141 0.000 1.061 205 V CA -0.809 61.398 62.300 -0.156 0.000 0.913 205 V CB 1.721 33.457 31.823 -0.144 0.000 1.005 205 V HN 0.520 nan 8.190 nan 0.000 0.428 206 V N 1.280 121.058 119.914 -0.225 0.000 2.769 206 V HA 0.833 4.953 4.120 -0.000 0.000 0.312 206 V C -0.848 175.079 176.094 -0.278 0.000 1.061 206 V CA -0.437 61.790 62.300 -0.122 0.000 0.931 206 V CB 1.626 33.452 31.823 0.006 0.000 1.010 206 V HN 1.086 nan 8.190 nan 0.000 0.433 207 H N 1.063 120.147 119.070 0.025 0.000 2.851 207 H HA 0.663 5.218 4.556 -0.000 0.000 0.372 207 H C -0.486 174.854 175.328 0.020 0.000 1.158 207 H CA -0.212 55.854 56.048 0.030 0.000 1.159 207 H CB 2.043 31.833 29.762 0.047 0.000 1.757 207 H HN 0.899 nan 8.280 nan 0.000 0.546 208 S N 2.006 117.796 115.700 0.150 0.000 2.464 208 S HA 0.373 4.843 4.470 -0.000 0.000 0.313 208 S C 1.090 175.744 174.600 0.090 0.000 1.078 208 S CA -0.210 58.027 58.200 0.061 0.000 1.096 208 S CB -0.068 63.114 63.200 -0.030 0.000 1.032 208 S HN 0.778 nan 8.310 nan 0.000 0.498 209 A N 4.498 127.367 122.820 0.082 0.000 2.172 209 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 209 A C 1.391 178.994 177.584 0.033 0.000 1.154 209 A CA 0.780 52.847 52.037 0.050 0.000 0.701 209 A CB -0.903 18.115 19.000 0.030 0.000 0.789 209 A HN 0.715 nan 8.150 nan 0.000 0.465 213 L N 0.603 121.915 121.223 0.149 0.000 2.013 213 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 213 L C 2.528 179.445 176.870 0.079 0.000 1.073 213 L CA 2.585 57.469 54.840 0.073 0.000 0.753 213 L CB -1.270 40.786 42.059 -0.003 0.000 0.890 213 L HN 0.377 nan 8.230 nan 0.000 0.432 214 S N -0.975 114.769 115.700 0.074 0.000 2.357 214 S HA -0.027 4.443 4.470 -0.000 0.000 0.221 214 S C 1.826 176.550 174.600 0.207 0.000 1.031 214 S CA 1.545 59.806 58.200 0.102 0.000 0.982 214 S CB -0.321 62.919 63.200 0.068 0.000 0.853 214 S HN 0.646 nan 8.310 nan 0.000 0.458 215 G N 0.098 108.959 108.800 0.101 0.000 2.257 215 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.267 215 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.267 215 G C 0.419 175.171 174.900 -0.246 0.000 0.984 215 G CA 1.072 46.163 45.100 -0.016 0.000 0.626 215 G HN 0.724 nan 8.290 nan 0.000 0.540 216 H N -0.648 118.425 119.070 0.005 0.000 2.674 216 H HA 0.458 5.014 4.556 -0.000 0.000 0.274 216 H C 1.872 177.193 175.328 -0.011 0.000 1.121 216 H CA 0.309 56.355 56.048 -0.004 0.000 1.132 216 H CB 0.462 30.218 29.762 -0.011 0.000 1.606 216 H HN 1.067 nan 8.280 nan 0.000 0.558 217 G N 1.867 110.701 108.800 0.057 0.000 2.269 217 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.277 217 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.277 217 G C 0.570 175.495 174.900 0.042 0.000 1.008 217 G CA 1.097 46.215 45.100 0.029 0.000 0.774 217 G HN 0.626 nan 8.290 nan 0.000 0.511 218 D N -0.760 119.674 120.400 0.057 0.000 2.395 218 D HA 0.292 4.932 4.640 -0.000 0.000 0.213 218 D C 1.079 177.406 176.300 0.045 0.000 1.110 218 D CA 0.405 54.433 54.000 0.047 0.000 0.835 218 D CB -0.087 40.739 40.800 0.045 0.000 0.965 218 D HN 0.968 nan 8.370 nan 0.000 0.505 219 I N -4.006 116.587 120.570 0.039 0.000 2.994 219 I HA 0.622 4.792 4.170 -0.000 0.000 0.306 219 I C -1.442 174.695 176.117 0.034 0.000 1.195 219 I CA -0.880 60.443 61.300 0.038 0.000 1.001 219 I CB 2.629 40.643 38.000 0.022 0.000 1.244 219 I HN -0.362 nan 8.210 nan 0.000 0.437 220 T N 3.377 117.953 114.554 0.037 0.000 2.779 220 T HA 0.866 5.216 4.350 -0.000 0.000 0.280 220 T C -0.428 174.292 174.700 0.034 0.000 0.987 220 T CA -0.442 61.679 62.100 0.035 0.000 0.966 220 T CB 1.367 70.259 68.868 0.040 0.000 0.933 220 T HN 0.973 nan 8.240 nan 0.000 0.442 221 A N 2.120 124.959 122.820 0.032 0.000 2.608 221 A HA 0.908 5.228 4.320 -0.000 0.000 0.292 221 A C -0.522 177.086 177.584 0.040 0.000 1.066 221 A CA -0.719 51.337 52.037 0.032 0.000 0.676 221 A CB 1.471 20.486 19.000 0.025 0.000 1.277 221 A HN 1.067 nan 8.150 nan 0.000 0.413 222 G N 0.007 108.835 108.800 0.045 0.000 2.574 222 G HA2 0.683 4.643 3.960 -0.000 0.000 0.299 222 G HA3 0.683 4.643 3.960 -0.000 0.000 0.299 222 G C -1.317 173.626 174.900 0.072 0.000 1.298 222 G CA -0.513 44.624 45.100 0.062 0.000 0.952 222 G HN 0.631 nan 8.290 nan 0.000 0.477 223 I N 0.188 120.824 120.570 0.111 0.000 2.802 223 I HA 0.491 4.661 4.170 -0.000 0.000 0.298 223 I C -0.826 175.372 176.117 0.135 0.000 1.176 223 I CA -0.849 60.523 61.300 0.119 0.000 1.025 223 I CB 2.085 40.165 38.000 0.133 0.000 1.243 223 I HN 0.222 nan 8.210 nan 0.000 0.424 224 V N 5.353 125.328 119.914 0.102 0.000 2.638 224 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 224 V C -0.482 175.658 176.094 0.078 0.000 1.052 224 V CA -0.672 61.677 62.300 0.081 0.000 0.885 224 V CB 2.658 34.518 31.823 0.061 0.000 0.999 224 V HN 0.451 nan 8.190 nan 0.000 0.424 225 V N 3.091 123.048 119.914 0.071 0.000 2.686 225 V HA 1.037 5.157 4.120 -0.000 0.000 0.306 225 V C 0.400 176.517 176.094 0.038 0.000 1.065 225 V CA 0.378 62.714 62.300 0.060 0.000 0.894 225 V CB 1.581 33.452 31.823 0.081 0.000 1.004 225 V HN 1.194 nan 8.190 nan 0.000 0.424 226 G N 2.302 111.121 108.800 0.033 0.000 2.428 226 G HA2 0.499 4.459 3.960 -0.000 0.000 0.305 226 G HA3 0.499 4.459 3.960 -0.000 0.000 0.305 226 G C -0.469 174.446 174.900 0.026 0.000 1.260 226 G CA 0.055 45.171 45.100 0.026 0.000 0.853 226 G HN 0.995 nan 8.290 nan 0.000 0.480 227 S N -0.471 115.243 115.700 0.024 0.000 2.576 227 S HA 0.203 4.673 4.470 -0.000 0.000 0.272 227 S C 1.258 175.873 174.600 0.025 0.000 1.352 227 S CA 0.711 58.925 58.200 0.023 0.000 1.021 227 S CB 1.623 64.837 63.200 0.023 0.000 0.887 227 S HN 0.796 nan 8.310 nan 0.000 0.542 228 Q N 1.734 121.548 119.800 0.023 0.000 2.124 228 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 228 Q C 2.172 178.186 176.000 0.024 0.000 0.977 228 Q CA 2.029 57.846 55.803 0.023 0.000 0.850 228 Q CB -0.936 27.813 28.738 0.019 0.000 0.901 228 Q HN 0.938 nan 8.270 nan 0.000 0.429 229 A N -0.369 122.466 122.820 0.024 0.000 1.898 229 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 229 A C 1.858 179.461 177.584 0.031 0.000 1.181 229 A CA 1.223 53.276 52.037 0.025 0.000 0.620 229 A CB -0.621 18.393 19.000 0.023 0.000 0.819 229 A HN 0.409 nan 8.150 nan 0.000 0.442 230 L N -0.284 120.958 121.223 0.032 0.000 2.027 230 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 230 L C 2.602 179.497 176.870 0.041 0.000 1.074 230 L CA 1.470 56.332 54.840 0.037 0.000 0.745 230 L CB -0.857 41.223 42.059 0.036 0.000 0.898 230 L HN 0.210 nan 8.230 nan 0.000 0.433 231 V N -0.500 119.437 119.914 0.038 0.000 2.427 231 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 231 V C 2.146 178.265 176.094 0.042 0.000 1.051 231 V CA 1.516 63.841 62.300 0.041 0.000 1.048 231 V CB -0.560 31.285 31.823 0.037 0.000 0.666 231 V HN 0.367 nan 8.190 nan 0.000 0.456 232 D N -0.044 120.379 120.400 0.038 0.000 2.144 232 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 232 D C 2.441 178.768 176.300 0.046 0.000 0.984 232 D CA 1.082 55.105 54.000 0.038 0.000 0.834 232 D CB -0.192 40.628 40.800 0.032 0.000 0.955 232 D HN 0.388 nan 8.370 nan 0.000 0.465 233 R N -0.003 120.525 120.500 0.047 0.000 2.073 233 R HA 0.041 4.381 4.340 -0.000 0.000 0.229 233 R C 2.514 178.851 176.300 0.061 0.000 1.120 233 R CA 0.533 56.664 56.100 0.052 0.000 0.967 233 R CB -0.308 30.022 30.300 0.050 0.000 0.862 233 R HN 0.258 nan 8.270 nan 0.000 0.436 234 I N 0.624 121.232 120.570 0.063 0.000 2.315 234 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 234 I C 2.875 179.035 176.117 0.070 0.000 1.117 234 I CA 1.118 62.462 61.300 0.073 0.000 1.404 234 I CB -0.254 37.787 38.000 0.069 0.000 1.071 234 I HN 0.132 nan 8.210 nan 0.000 0.419 235 R N 1.561 122.098 120.500 0.062 0.000 2.061 235 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 235 R C 2.179 178.521 176.300 0.071 0.000 1.140 235 R CA 1.520 57.657 56.100 0.062 0.000 0.940 235 R CB -0.297 30.035 30.300 0.052 0.000 0.839 235 R HN 0.301 nan 8.270 nan 0.000 0.429 236 L N 0.108 121.374 121.223 0.072 0.000 2.551 236 L HA -0.061 4.279 4.340 -0.000 0.000 0.228 236 L C 1.676 178.588 176.870 0.070 0.000 1.153 236 L CA 0.785 55.673 54.840 0.080 0.000 0.851 236 L CB -0.062 42.043 42.059 0.077 0.000 0.959 236 L HN 0.374 nan 8.230 nan 0.000 0.451 237 Q N -1.292 118.548 119.800 0.066 0.000 2.474 237 Q HA 0.157 4.497 4.340 -0.000 0.000 0.191 237 Q C 2.162 178.198 176.000 0.060 0.000 0.700 237 Q CA 0.533 56.370 55.803 0.057 0.000 0.849 237 Q CB -0.367 28.406 28.738 0.059 0.000 1.232 237 Q HN 0.233 nan 8.270 nan 0.000 0.563 238 G N 1.570 110.425 108.800 0.092 0.000 2.476 238 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 238 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 238 G C 0.481 175.437 174.900 0.093 0.000 1.164 238 G CA 0.669 45.846 45.100 0.128 0.000 0.768 238 G HN 0.151 nan 8.290 nan 0.000 0.560 239 L N -0.692 120.579 121.223 0.080 0.000 2.357 239 L HA 0.557 4.896 4.340 -0.000 0.000 0.273 239 L C 1.134 178.045 176.870 0.069 0.000 1.080 239 L CA 0.455 55.337 54.840 0.070 0.000 0.803 239 L CB 1.598 43.697 42.059 0.066 0.000 1.174 239 L HN 0.611 nan 8.230 nan 0.000 0.443 240 K N 0.661 121.104 120.400 0.071 0.000 3.154 240 K HA -0.209 4.111 4.320 -0.000 0.000 0.381 240 K C 0.082 176.721 176.600 0.065 0.000 0.570 240 K CA 1.621 57.963 56.287 0.091 0.000 1.679 240 K CB -1.628 30.940 32.500 0.113 0.000 1.050 240 K HN 0.672 nan 8.250 nan 0.000 0.446 241 D N -0.448 119.971 120.400 0.032 0.000 3.084 241 D HA 0.301 4.941 4.640 -0.000 0.000 0.294 241 D C 1.599 177.859 176.300 -0.066 0.000 1.165 241 D CA 1.458 55.454 54.000 -0.006 0.000 1.008 241 D CB 0.062 40.856 40.800 -0.009 0.000 1.266 241 D HN 0.411 nan 8.370 nan 0.000 0.449 242 M N -0.393 119.148 119.600 -0.099 0.000 2.441 242 M HA 0.174 4.654 4.480 -0.000 0.000 0.244 242 M C -0.023 176.154 176.300 -0.204 0.000 1.122 242 M CA 0.674 55.823 55.300 -0.252 0.000 1.041 242 M CB 1.059 33.423 32.600 -0.392 0.000 1.438 242 M HN -0.242 nan 8.290 nan 0.000 0.484 243 T N -0.352 114.173 114.554 -0.049 0.000 2.993 243 T HA 0.477 4.827 4.350 -0.000 0.000 0.312 243 T C 0.022 174.739 174.700 0.028 0.000 1.115 243 T CA -0.622 61.488 62.100 0.017 0.000 1.027 243 T CB 1.969 70.893 68.868 0.092 0.000 1.116 243 T HN 0.265 nan 8.240 nan 0.000 0.464 244 G N 1.451 110.270 108.800 0.033 0.000 4.098 244 G HA2 0.484 4.444 3.960 -0.000 0.000 0.300 244 G HA3 0.484 4.444 3.960 -0.000 0.000 0.300 244 G C 0.586 175.513 174.900 0.045 0.000 1.187 244 G CA -0.259 44.868 45.100 0.045 0.000 0.964 244 G HN 0.901 nan 8.290 nan 0.000 0.559 245 A N 0.880 123.727 122.820 0.044 0.000 3.052 245 A HA 0.499 4.819 4.320 -0.000 0.000 0.266 245 A C 0.439 178.045 177.584 0.037 0.000 1.855 245 A CA -0.105 51.956 52.037 0.039 0.000 1.473 245 A CB -0.385 18.637 19.000 0.037 0.000 1.038 245 A HN 0.224 nan 8.150 nan 0.000 0.619 246 V N 1.941 121.875 119.914 0.034 0.000 2.583 246 V HA 0.161 4.281 4.120 -0.000 0.000 0.287 246 V C 0.333 176.440 176.094 0.022 0.000 1.051 246 V CA -0.398 61.917 62.300 0.024 0.000 1.010 246 V CB 1.176 33.006 31.823 0.012 0.000 0.988 246 V HN 0.673 nan 8.190 nan 0.000 0.478 247 L N 4.625 125.860 121.223 0.020 0.000 2.312 247 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 247 L C 0.574 177.458 176.870 0.023 0.000 1.070 247 L CA 0.607 55.461 54.840 0.024 0.000 0.805 247 L CB 1.634 43.706 42.059 0.022 0.000 1.174 247 L HN 0.755 nan 8.230 nan 0.000 0.434 248 S N 5.721 121.442 115.700 0.036 0.000 2.533 248 S HA 0.275 4.745 4.470 -0.000 0.000 0.282 248 S C -1.629 173.005 174.600 0.056 0.000 1.304 248 S CA -0.812 57.416 58.200 0.047 0.000 1.063 248 S CB 0.728 63.974 63.200 0.075 0.000 0.881 248 S HN 0.648 nan 8.310 nan 0.000 0.493 249 P HA -0.135 nan 4.420 nan 0.000 0.218 249 P C 1.011 178.342 177.300 0.051 0.000 1.146 249 P CA 1.438 64.566 63.100 0.047 0.000 0.813 249 P CB -0.077 31.658 31.700 0.059 0.000 0.778 250 H N -0.313 118.742 119.070 -0.025 0.000 2.357 250 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 250 H C 1.335 176.644 175.328 -0.032 0.000 1.082 250 H CA 1.950 57.978 56.048 -0.033 0.000 1.342 250 H CB -0.514 29.228 29.762 -0.033 0.000 1.389 250 H HN -0.041 nan 8.280 nan 0.000 0.511 251 D N 0.061 120.466 120.400 0.007 0.000 2.224 251 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 251 D C 2.127 178.376 176.300 -0.085 0.000 0.965 251 D CA 1.137 55.102 54.000 -0.059 0.000 0.852 251 D CB -0.283 40.555 40.800 0.064 0.000 0.947 251 D HN 0.580 nan 8.370 nan 0.000 0.494 252 A N 0.677 123.466 122.820 -0.052 0.000 1.897 252 A HA 0.077 4.397 4.320 -0.000 0.000 0.215 252 A C 2.236 179.767 177.584 -0.088 0.000 1.181 252 A CA 1.659 53.666 52.037 -0.050 0.000 0.620 252 A CB -0.661 18.324 19.000 -0.024 0.000 0.821 252 A HN 0.215 nan 8.150 nan 0.000 0.443 253 A N -0.898 121.852 122.820 -0.117 0.000 1.969 253 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 253 A C 2.020 179.499 177.584 -0.175 0.000 1.169 253 A CA 1.548 53.498 52.037 -0.144 0.000 0.635 253 A CB -0.424 18.489 19.000 -0.145 0.000 0.810 253 A HN 0.420 nan 8.150 nan 0.000 0.445 254 L N -0.914 120.176 121.223 -0.222 0.000 2.109 254 L HA -0.036 4.303 4.340 -0.000 0.000 0.207 254 L C 2.240 179.028 176.870 -0.138 0.000 1.086 254 L CA 1.452 56.160 54.840 -0.219 0.000 0.760 254 L CB -0.703 41.185 42.059 -0.284 0.000 0.910 254 L HN 0.416 nan 8.230 nan 0.000 0.437 255 L N -1.023 120.140 121.223 -0.101 0.000 2.046 255 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 255 L C 2.313 179.149 176.870 -0.057 0.000 1.077 255 L CA 1.822 56.629 54.840 -0.054 0.000 0.747 255 L CB -0.480 41.556 42.059 -0.037 0.000 0.896 255 L HN 0.255 nan 8.230 nan 0.000 0.432 256 M N -1.160 118.392 119.600 -0.079 0.000 2.229 256 M HA -0.183 4.297 4.480 -0.000 0.000 0.264 256 M C 2.408 178.654 176.300 -0.091 0.000 1.063 256 M CA 1.364 56.614 55.300 -0.082 0.000 1.114 256 M CB -0.321 32.217 32.600 -0.103 0.000 1.387 256 M HN 0.280 nan 8.290 nan 0.000 0.420 257 R N 0.272 120.705 120.500 -0.112 0.000 2.075 257 R HA -0.100 4.239 4.340 -0.000 0.000 0.232 257 R C 2.192 178.435 176.300 -0.095 0.000 1.126 257 R CA 1.636 57.662 56.100 -0.123 0.000 0.963 257 R CB -0.436 29.767 30.300 -0.162 0.000 0.858 257 R HN 0.423 nan 8.270 nan 0.000 0.435 258 G N 0.781 109.539 108.800 -0.070 0.000 2.422 258 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 258 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 258 G C 1.419 176.355 174.900 0.059 0.000 1.140 258 G CA 0.502 45.624 45.100 0.036 0.000 0.775 258 G HN 0.272 nan 8.290 nan 0.000 0.545 259 I N 0.243 120.819 120.570 0.011 0.000 2.614 259 I HA -0.080 4.090 4.170 -0.000 0.000 0.258 259 I C 2.486 178.601 176.117 -0.003 0.000 1.189 259 I CA 0.735 62.039 61.300 0.007 0.000 1.462 259 I CB 0.031 38.019 38.000 -0.021 0.000 1.092 259 I HN 0.100 nan 8.210 nan 0.000 0.442 260 K N 0.101 120.487 120.400 -0.023 0.000 2.362 260 K HA -0.099 4.221 4.320 -0.000 0.000 0.200 260 K C 1.384 177.976 176.600 -0.013 0.000 1.046 260 K CA 1.671 57.937 56.287 -0.034 0.000 0.952 260 K CB -0.172 32.290 32.500 -0.063 0.000 0.753 260 K HN 0.441 nan 8.250 nan 0.000 0.466 261 T N -2.167 112.392 114.554 0.008 0.000 3.200 261 T HA 0.131 4.481 4.350 -0.000 0.000 0.284 261 T C 1.262 175.952 174.700 -0.016 0.000 1.009 261 T CA -0.422 61.680 62.100 0.004 0.000 0.907 261 T CB 0.102 68.990 68.868 0.033 0.000 1.120 261 T HN -0.043 nan 8.240 nan 0.000 0.534 262 L N 3.364 124.581 121.223 -0.010 0.000 1.990 262 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 262 L C 2.134 178.839 176.870 -0.274 0.000 1.072 262 L CA 2.717 57.531 54.840 -0.044 0.000 0.755 262 L CB -0.909 41.179 42.059 0.048 0.000 0.889 262 L HN 0.621 nan 8.230 nan 0.000 0.432 263 N N -1.293 117.137 118.700 -0.451 0.000 2.069 263 N HA -0.246 4.494 4.740 -0.000 0.000 0.191 263 N C 1.769 176.982 175.510 -0.495 0.000 1.031 263 N CA 1.552 53.964 53.050 -1.064 0.000 0.852 263 N CB -0.687 37.344 38.487 -0.759 0.000 1.018 263 N HN 0.224 nan 8.380 nan 0.000 0.423 264 L N 0.923 122.012 121.223 -0.222 0.000 2.012 264 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 264 L C 2.641 179.455 176.870 -0.095 0.000 1.073 264 L CA 1.532 56.306 54.840 -0.109 0.000 0.748 264 L CB -1.011 41.010 42.059 -0.063 0.000 0.891 264 L HN 0.247 nan 8.230 nan 0.000 0.431 265 R N -1.775 118.674 120.500 -0.085 0.000 2.066 265 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 265 R C 2.131 178.448 176.300 0.029 0.000 1.131 265 R CA 1.197 57.258 56.100 -0.064 0.000 0.955 265 R CB -0.331 29.976 30.300 0.012 0.000 0.851 265 R HN 0.244 nan 8.270 nan 0.000 0.432 266 M N 0.925 120.555 119.600 0.051 0.000 2.149 266 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 266 M C 1.399 177.772 176.300 0.122 0.000 1.064 266 M CA 1.536 56.898 55.300 0.104 0.000 1.102 266 M CB -0.875 31.775 32.600 0.084 0.000 1.369 266 M HN 0.011 nan 8.290 nan 0.000 0.408 267 D N -0.208 120.242 120.400 0.083 0.000 2.104 267 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 267 D C 2.143 178.470 176.300 0.045 0.000 0.994 267 D CA 1.288 55.342 54.000 0.090 0.000 0.830 267 D CB -0.240 40.594 40.800 0.057 0.000 0.959 267 D HN 0.146 nan 8.370 nan 0.000 0.452 268 R N 0.164 120.655 120.500 -0.015 0.000 2.092 268 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 268 R C 2.121 178.398 176.300 -0.039 0.000 1.119 268 R CA 1.367 57.431 56.100 -0.060 0.000 0.970 268 R CB -0.696 29.520 30.300 -0.140 0.000 0.864 268 R HN 0.340 nan 8.270 nan 0.000 0.440 269 H N -0.821 118.261 119.070 0.021 0.000 2.321 269 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 269 H C 2.091 177.454 175.328 0.058 0.000 1.087 269 H CA 1.937 58.015 56.048 0.050 0.000 1.319 269 H CB -0.404 29.405 29.762 0.078 0.000 1.379 269 H HN 0.267 nan 8.280 nan 0.000 0.501 270 C N 0.541 119.953 119.300 0.188 0.000 2.446 270 C HA 0.009 4.469 4.460 -0.000 0.000 0.277 270 C C 3.140 178.208 174.990 0.130 0.000 1.275 270 C CA 0.700 59.816 59.018 0.163 0.000 1.727 270 C CB -1.023 26.788 27.740 0.118 0.000 2.010 270 C HN 0.616 nan 8.230 nan 0.000 0.486 271 A N 1.327 124.197 122.820 0.084 0.000 1.902 271 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 271 A C 1.912 179.518 177.584 0.036 0.000 1.181 271 A CA 2.053 54.123 52.037 0.055 0.000 0.623 271 A CB -0.618 18.400 19.000 0.031 0.000 0.818 271 A HN 0.613 nan 8.150 nan 0.000 0.443 272 N N 0.247 118.965 118.700 0.030 0.000 2.142 272 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 272 N C 1.877 177.390 175.510 0.005 0.000 1.023 272 N CA 1.561 54.619 53.050 0.013 0.000 0.852 272 N CB -0.563 37.931 38.487 0.012 0.000 0.998 272 N HN 0.442 nan 8.380 nan 0.000 0.424 273 A N 0.589 123.418 122.820 0.015 0.000 1.902 273 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 273 A C 2.206 179.600 177.584 -0.316 0.000 1.181 273 A CA 1.661 53.626 52.037 -0.121 0.000 0.623 273 A CB -0.698 18.277 19.000 -0.042 0.000 0.818 273 A HN 0.273 nan 8.150 nan 0.000 0.443 274 Q N 0.080 119.814 119.800 -0.110 0.000 2.030 274 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 274 Q C 2.089 178.063 176.000 -0.045 0.000 0.986 274 Q CA 2.692 58.479 55.803 -0.026 0.000 0.843 274 Q CB -0.819 27.991 28.738 0.120 0.000 0.904 274 Q HN 0.660 nan 8.270 nan 0.000 0.420 275 V N -0.789 119.116 119.914 -0.015 0.000 2.515 275 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 275 V C 2.057 178.159 176.094 0.014 0.000 1.058 275 V CA 1.725 64.030 62.300 0.007 0.000 1.064 275 V CB -0.411 31.416 31.823 0.006 0.000 0.675 275 V HN 0.477 nan 8.190 nan 0.000 0.461 276 L N 0.029 121.235 121.223 -0.029 0.000 2.093 276 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 276 L C 2.872 179.732 176.870 -0.016 0.000 1.085 276 L CA 1.575 56.417 54.840 0.004 0.000 0.755 276 L CB -0.683 41.375 42.059 -0.002 0.000 0.904 276 L HN 0.495 nan 8.230 nan 0.000 0.435 277 A N -0.200 122.524 122.820 -0.160 0.000 1.877 277 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 277 A C 2.075 179.622 177.584 -0.061 0.000 1.186 277 A CA 1.605 53.529 52.037 -0.188 0.000 0.620 277 A CB -0.435 18.324 19.000 -0.401 0.000 0.822 277 A HN 0.460 nan 8.150 nan 0.000 0.443 278 E N -1.359 118.836 120.200 -0.009 0.000 2.150 278 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 278 E C 1.780 178.388 176.600 0.013 0.000 0.985 278 E CA 1.215 57.625 56.400 0.015 0.000 0.814 278 E CB -0.283 29.441 29.700 0.040 0.000 0.752 278 E HN 0.755 nan 8.360 nan 0.000 0.466 279 F N 1.465 121.365 119.950 -0.084 0.000 2.113 279 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 279 F C 2.021 177.748 175.800 -0.122 0.000 1.103 279 F CA 0.806 58.756 58.000 -0.084 0.000 1.248 279 F CB -0.044 38.910 39.000 -0.075 0.000 0.999 279 F HN -0.060 nan 8.300 nan 0.000 0.475 280 L N 1.049 122.153 121.223 -0.198 0.000 2.079 280 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 280 L C 2.687 179.343 176.870 -0.357 0.000 1.081 280 L CA 1.864 56.468 54.840 -0.392 0.000 0.752 280 L CB -1.895 39.922 42.059 -0.404 0.000 0.896 280 L HN 0.322 nan 8.230 nan 0.000 0.433 281 A N -0.898 121.786 122.820 -0.227 0.000 2.070 281 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 281 A C 2.245 179.721 177.584 -0.179 0.000 1.159 281 A CA 1.216 53.158 52.037 -0.159 0.000 0.656 281 A CB -0.409 18.541 19.000 -0.082 0.000 0.800 281 A HN 0.476 nan 8.150 nan 0.000 0.453 282 R N -0.515 119.832 120.500 -0.254 0.000 2.300 282 R HA 0.081 4.421 4.340 -0.000 0.000 0.199 282 R C -0.368 175.767 176.300 -0.276 0.000 0.920 282 R CA 0.052 56.013 56.100 -0.232 0.000 1.046 282 R CB 0.145 30.315 30.300 -0.216 0.000 0.984 282 R HN 0.465 nan 8.270 nan 0.000 0.493 283 Q N 1.562 121.145 119.800 -0.361 0.000 2.274 283 Q HA 0.165 4.505 4.340 -0.000 0.000 0.256 283 Q C -1.823 174.066 176.000 -0.186 0.000 0.927 283 Q CA -2.343 53.275 55.803 -0.309 0.000 0.939 283 Q CB 1.230 29.721 28.738 -0.412 0.000 1.201 283 Q HN -0.035 nan 8.270 nan 0.000 0.426 284 P HA -0.116 nan 4.420 nan 0.000 0.230 284 P C 0.458 177.720 177.300 -0.062 0.000 1.158 284 P CA 0.940 63.992 63.100 -0.081 0.000 0.769 284 P CB 0.606 32.270 31.700 -0.059 0.000 0.807 285 Q N -0.464 119.296 119.800 -0.067 0.000 2.245 285 Q HA 0.032 4.372 4.340 -0.000 0.000 0.201 285 Q C 0.597 176.578 176.000 -0.030 0.000 0.955 285 Q CA 0.568 56.349 55.803 -0.036 0.000 0.870 285 Q CB -0.140 28.587 28.738 -0.018 0.000 0.945 285 Q HN 0.100 nan 8.270 nan 0.000 0.461 286 V N 2.620 122.494 119.914 -0.066 0.000 2.368 286 V HA 0.012 4.132 4.120 -0.000 0.000 0.266 286 V C 0.888 176.963 176.094 -0.032 0.000 1.045 286 V CA -0.010 62.269 62.300 -0.036 0.000 0.899 286 V CB 0.845 32.575 31.823 -0.154 0.000 1.006 286 V HN 0.382 nan 8.190 nan 0.000 0.470 287 E N 4.650 124.849 120.200 -0.002 0.000 2.400 287 E HA 0.211 4.561 4.350 -0.000 0.000 0.195 287 E C 0.143 176.732 176.600 -0.019 0.000 1.012 287 E CA -0.023 56.369 56.400 -0.013 0.000 0.875 287 E CB 0.694 30.391 29.700 -0.005 0.000 0.859 287 E HN 0.434 nan 8.360 nan 0.000 0.498 288 L N 0.529 121.738 121.223 -0.023 0.000 2.591 288 L HA 0.477 4.817 4.340 -0.000 0.000 0.257 288 L C -2.085 174.698 176.870 -0.145 0.000 0.935 288 L CA -0.711 54.082 54.840 -0.077 0.000 0.873 288 L CB 2.143 44.157 42.059 -0.075 0.000 1.397 288 L HN 0.064 nan 8.230 nan 0.000 0.414 289 I N 3.644 124.108 120.570 -0.175 0.000 2.608 289 I HA 0.448 4.618 4.170 -0.000 0.000 0.295 289 I C -0.926 175.106 176.117 -0.142 0.000 1.049 289 I CA -0.640 60.583 61.300 -0.129 0.000 1.063 289 I CB 2.000 40.007 38.000 0.012 0.000 1.248 289 I HN 0.514 nan 8.210 nan 0.000 0.424 290 H N 6.003 125.252 119.070 0.298 0.000 2.539 290 H HA 0.313 4.869 4.556 -0.000 0.000 0.247 290 H C -1.631 173.875 175.328 0.297 0.000 1.363 290 H CA -0.431 55.834 56.048 0.363 0.000 1.371 290 H CB 0.525 30.483 29.762 0.327 0.000 1.438 290 H HN 0.443 nan 8.280 nan 0.000 0.523 291 Y N 3.117 123.471 120.300 0.090 0.000 2.354 291 Y HA 0.269 4.819 4.550 -0.000 0.000 0.330 291 Y C -2.261 173.336 175.900 -0.505 0.000 1.011 291 Y CA -2.813 55.201 58.100 -0.144 0.000 1.099 291 Y CB 1.988 40.442 38.460 -0.009 0.000 1.179 291 Y HN 0.120 nan 8.280 nan 0.000 0.442 292 P HA -0.094 nan 4.420 nan 0.000 0.220 292 P C 1.287 178.237 177.300 -0.583 0.000 1.144 292 P CA 2.030 64.332 63.100 -1.330 0.000 0.800 292 P CB 0.302 31.426 31.700 -0.959 0.000 0.772 293 G N -1.181 107.156 108.800 -0.772 0.000 2.572 293 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.216 293 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.216 293 G C 0.415 175.482 174.900 0.278 0.000 1.133 293 G CA -0.041 45.021 45.100 -0.064 0.000 0.791 293 G HN 0.216 nan 8.290 nan 0.000 0.538 294 L N 1.196 122.569 121.223 0.249 0.000 2.290 294 L HA 0.337 4.677 4.340 -0.000 0.000 0.284 294 L C 1.799 178.675 176.870 0.010 0.000 1.078 294 L CA -0.617 54.325 54.840 0.171 0.000 0.815 294 L CB 1.535 43.705 42.059 0.186 0.000 1.162 294 L HN 0.120 nan 8.230 nan 0.000 0.435 295 A N 2.286 124.904 122.820 -0.337 0.000 2.139 295 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 295 A C 2.082 179.417 177.584 -0.414 0.000 1.159 295 A CA 1.888 53.380 52.037 -0.908 0.000 0.662 295 A CB -0.409 18.236 19.000 -0.591 0.000 0.796 295 A HN 0.852 nan 8.150 nan 0.000 0.463 296 S N -1.683 113.950 115.700 -0.112 0.000 2.593 296 S HA 0.171 4.641 4.470 -0.000 0.000 0.217 296 S C 0.309 174.985 174.600 0.127 0.000 0.966 296 S CA -0.480 57.719 58.200 -0.002 0.000 0.914 296 S CB -0.563 62.645 63.200 0.014 0.000 0.776 296 S HN 0.342 nan 8.310 nan 0.000 0.523 297 F N 4.204 124.185 119.950 0.052 0.000 2.541 297 F HA 0.326 4.853 4.527 -0.000 0.000 0.378 297 F C -1.589 174.290 175.800 0.131 0.000 1.068 297 F CA -2.538 55.544 58.000 0.136 0.000 1.199 297 F CB 0.470 39.597 39.000 0.212 0.000 1.091 297 F HN -0.021 nan 8.300 nan 0.000 0.555 298 P HA -0.256 nan 4.420 nan 0.000 0.216 298 P C 0.173 177.312 177.300 -0.268 0.000 1.167 298 P CA 2.170 65.097 63.100 -0.289 0.000 0.914 298 P CB 0.049 31.558 31.700 -0.319 0.000 0.793 299 Q N -2.593 116.889 119.800 -0.529 0.000 2.296 299 Q HA 0.050 4.390 4.340 -0.000 0.000 0.273 299 Q C 1.001 177.065 176.000 0.107 0.000 0.900 299 Q CA -0.340 55.341 55.803 -0.202 0.000 0.993 299 Q CB -0.481 28.113 28.738 -0.240 0.000 1.132 299 Q HN 0.282 nan 8.270 nan 0.000 0.439 300 Y N 0.995 121.369 120.300 0.124 0.000 2.102 300 Y HA -0.351 4.199 4.550 -0.000 0.000 0.280 300 Y C 2.071 178.036 175.900 0.108 0.000 1.178 300 Y CA 2.326 60.570 58.100 0.240 0.000 1.146 300 Y CB -0.053 38.506 38.460 0.165 0.000 0.968 300 Y HN 0.136 nan 8.280 nan 0.000 0.504 301 T N 0.800 115.426 114.554 0.121 0.000 2.708 301 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 301 T C 1.787 176.454 174.700 -0.055 0.000 1.037 301 T CA 1.489 63.594 62.100 0.009 0.000 1.146 301 T CB -0.692 68.212 68.868 0.060 0.000 0.865 301 T HN 0.334 nan 8.240 nan 0.000 0.435 302 L N 1.577 122.782 121.223 -0.030 0.000 2.056 302 L HA 0.143 4.483 4.340 -0.000 0.000 0.207 302 L C 2.587 179.425 176.870 -0.055 0.000 1.078 302 L CA 1.858 56.672 54.840 -0.044 0.000 0.749 302 L CB -1.139 40.889 42.059 -0.051 0.000 0.901 302 L HN 0.205 nan 8.230 nan 0.000 0.433 303 A N -0.255 122.544 122.820 -0.035 0.000 1.892 303 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 303 A C 2.198 179.695 177.584 -0.145 0.000 1.188 303 A CA 1.710 53.716 52.037 -0.051 0.000 0.631 303 A CB -0.578 18.429 19.000 0.012 0.000 0.822 303 A HN 0.467 nan 8.150 nan 0.000 0.447 304 R N 0.186 120.549 120.500 -0.229 0.000 2.285 304 R HA -0.056 4.284 4.340 -0.000 0.000 0.213 304 R C 1.886 178.100 176.300 -0.143 0.000 1.068 304 R CA 1.124 57.080 56.100 -0.240 0.000 1.004 304 R CB -0.553 29.543 30.300 -0.340 0.000 0.873 304 R HN 0.801 nan 8.270 nan 0.000 0.467 305 Q N -0.004 119.733 119.800 -0.104 0.000 2.250 305 Q HA -0.018 4.322 4.340 -0.000 0.000 0.200 305 Q C 1.574 177.537 176.000 -0.062 0.000 0.941 305 Q CA 0.774 56.535 55.803 -0.071 0.000 0.872 305 Q CB 0.189 28.896 28.738 -0.051 0.000 0.965 305 Q HN 0.498 nan 8.270 nan 0.000 0.480 306 Q N -0.150 119.612 119.800 -0.063 0.000 2.373 306 Q HA 0.202 4.542 4.340 -0.000 0.000 0.210 306 Q C 0.433 176.393 176.000 -0.067 0.000 0.913 306 Q CA 0.280 56.054 55.803 -0.048 0.000 0.911 306 Q CB 0.499 29.222 28.738 -0.025 0.000 1.040 306 Q HN 0.273 nan 8.270 nan 0.000 0.521 307 M N 0.964 120.507 119.600 -0.095 0.000 2.268 307 M HA 0.193 4.673 4.480 -0.000 0.000 0.344 307 M C 0.778 176.986 176.300 -0.153 0.000 1.106 307 M CA -0.388 54.840 55.300 -0.121 0.000 1.010 307 M CB 1.861 34.386 32.600 -0.124 0.000 1.649 307 M HN 0.008 nan 8.290 nan 0.000 0.443 308 S N 2.015 117.602 115.700 -0.187 0.000 2.428 308 S HA 0.020 4.490 4.470 -0.000 0.000 0.230 308 S C 0.444 174.926 174.600 -0.196 0.000 1.014 308 S CA 0.526 58.597 58.200 -0.215 0.000 0.957 308 S CB 0.060 63.066 63.200 -0.324 0.000 0.784 308 S HN 0.803 nan 8.310 nan 0.000 0.499 309 Q N 0.160 119.848 119.800 -0.187 0.000 2.416 309 Q HA 0.352 4.692 4.340 -0.000 0.000 0.281 309 Q C -2.649 173.266 176.000 -0.141 0.000 1.067 309 Q CA -2.295 53.427 55.803 -0.135 0.000 0.809 309 Q CB 2.019 30.696 28.738 -0.101 0.000 1.418 309 Q HN 0.006 nan 8.270 nan 0.000 0.411 310 P HA -0.063 nan 4.420 nan 0.000 0.239 310 P C 0.361 177.541 177.300 -0.199 0.000 1.184 310 P CA 1.346 64.278 63.100 -0.281 0.000 0.760 310 P CB 0.146 31.572 31.700 -0.457 0.000 0.884 311 G N -0.608 108.170 108.800 -0.038 0.000 2.746 311 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.685 311 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.685 311 G C 0.601 175.611 174.900 0.182 0.000 1.350 311 G CA -0.562 44.550 45.100 0.021 0.000 0.837 311 G HN 0.269 nan 8.290 nan 0.000 0.564 312 G N -0.584 108.283 108.800 0.112 0.000 3.088 312 G HA2 0.454 4.414 3.960 -0.000 0.000 0.217 312 G HA3 0.454 4.414 3.960 -0.000 0.000 0.217 312 G C 0.711 175.757 174.900 0.243 0.000 1.159 312 G CA 0.422 45.648 45.100 0.209 0.000 0.760 312 G HN 0.567 nan 8.290 nan 0.000 0.550 313 M N 1.252 121.008 119.600 0.261 0.000 2.300 313 M HA 0.512 4.992 4.480 -0.000 0.000 0.348 313 M C -1.011 175.498 176.300 0.349 0.000 1.151 313 M CA -0.905 54.541 55.300 0.242 0.000 1.046 313 M CB 2.015 34.717 32.600 0.170 0.000 1.647 313 M HN -0.120 nan 8.290 nan 0.000 0.451 314 I N 2.233 122.977 120.570 0.290 0.000 2.582 314 I HA 0.796 4.966 4.170 -0.000 0.000 0.292 314 I C -1.567 174.750 176.117 0.333 0.000 1.066 314 I CA -0.387 61.100 61.300 0.311 0.000 1.053 314 I CB 2.040 40.108 38.000 0.114 0.000 1.241 314 I HN 0.802 nan 8.210 nan 0.000 0.421 315 A N 7.088 130.139 122.820 0.385 0.000 2.414 315 A HA 0.903 5.223 4.320 -0.000 0.000 0.306 315 A C -1.458 176.370 177.584 0.406 0.000 1.054 315 A CA -0.429 51.828 52.037 0.365 0.000 0.724 315 A CB 1.434 20.665 19.000 0.384 0.000 1.267 315 A HN 0.688 nan 8.150 nan 0.000 0.418 316 F N -0.538 119.459 119.950 0.078 0.000 2.668 316 F HA 0.713 5.240 4.527 -0.000 0.000 0.309 316 F C -0.795 174.965 175.800 -0.068 0.000 1.117 316 F CA -0.915 57.040 58.000 -0.076 0.000 0.951 316 F CB 1.299 40.222 39.000 -0.130 0.000 1.323 316 F HN 0.501 nan 8.300 nan 0.000 0.451 317 E N 3.185 123.383 120.200 -0.004 0.000 2.166 317 E HA 0.467 4.817 4.350 -0.000 0.000 0.275 317 E C -1.214 175.386 176.600 -0.001 0.000 0.941 317 E CA -0.705 55.659 56.400 -0.059 0.000 0.784 317 E CB 2.803 32.510 29.700 0.011 0.000 1.115 317 E HN 0.641 nan 8.360 nan 0.000 0.399 318 L N 3.165 124.333 121.223 -0.091 0.000 2.292 318 L HA 0.228 4.568 4.340 -0.000 0.000 0.284 318 L C 0.518 177.371 176.870 -0.028 0.000 1.065 318 L CA -0.658 54.157 54.840 -0.042 0.000 0.806 318 L CB 0.779 42.759 42.059 -0.131 0.000 1.175 318 L HN 0.214 nan 8.230 nan 0.000 0.431 319 K N 2.782 123.176 120.400 -0.009 0.000 2.379 319 K HA 0.352 4.672 4.320 -0.000 0.000 0.284 319 K C 0.797 177.393 176.600 -0.005 0.000 1.044 319 K CA 0.496 56.780 56.287 -0.006 0.000 0.974 319 K CB 0.752 33.249 32.500 -0.005 0.000 0.962 319 K HN 0.935 nan 8.250 nan 0.000 0.474 320 G N 1.653 110.453 108.800 -0.000 0.000 2.296 320 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.188 320 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.188 320 G C 0.631 175.537 174.900 0.010 0.000 1.000 320 G CA 0.123 45.226 45.100 0.006 0.000 0.672 320 G HN 1.105 nan 8.290 nan 0.000 0.483 321 G N 0.737 109.541 108.800 0.006 0.000 2.594 321 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.297 321 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.297 321 G C 1.355 176.288 174.900 0.056 0.000 1.273 321 G CA 1.541 46.660 45.100 0.031 0.000 0.974 321 G HN 1.411 nan 8.290 nan 0.000 0.552 322 I N 0.496 121.137 120.570 0.118 0.000 2.113 322 I HA -0.101 4.069 4.170 -0.000 0.000 0.242 322 I C 3.098 179.300 176.117 0.142 0.000 1.064 322 I CA 2.487 63.912 61.300 0.207 0.000 1.320 322 I CB -1.354 36.727 38.000 0.135 0.000 1.028 322 I HN 0.750 nan 8.210 nan 0.000 0.406 323 G N 0.731 109.578 108.800 0.079 0.000 2.553 323 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 323 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 323 G C 1.850 176.775 174.900 0.042 0.000 1.195 323 G CA 1.448 46.583 45.100 0.058 0.000 0.779 323 G HN 0.592 nan 8.290 nan 0.000 0.577 324 A N 0.646 123.478 122.820 0.019 0.000 1.933 324 A HA 0.181 4.501 4.320 -0.000 0.000 0.218 324 A C 2.708 180.275 177.584 -0.028 0.000 1.175 324 A CA 2.081 54.124 52.037 0.010 0.000 0.628 324 A CB -0.995 18.002 19.000 -0.004 0.000 0.814 324 A HN 0.610 nan 8.150 nan 0.000 0.444 325 G N -0.625 108.074 108.800 -0.169 0.000 2.418 325 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 325 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 325 G C 1.791 176.559 174.900 -0.220 0.000 1.158 325 G CA 0.817 45.587 45.100 -0.549 0.000 0.771 325 G HN 0.526 nan 8.290 nan 0.000 0.545 326 R N -0.065 120.448 120.500 0.023 0.000 2.066 326 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 326 R C 2.831 179.178 176.300 0.080 0.000 1.131 326 R CA 1.032 57.202 56.100 0.117 0.000 0.955 326 R CB -0.319 30.052 30.300 0.118 0.000 0.851 326 R HN 0.264 nan 8.270 nan 0.000 0.432 327 R N -0.169 120.372 120.500 0.069 0.000 2.080 327 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 327 R C 2.195 178.540 176.300 0.074 0.000 1.137 327 R CA 1.938 58.077 56.100 0.063 0.000 0.943 327 R CB -0.519 29.821 30.300 0.066 0.000 0.846 327 R HN 0.184 nan 8.270 nan 0.000 0.431 328 F N 1.089 121.017 119.950 -0.037 0.000 2.069 328 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 328 F C 2.257 178.043 175.800 -0.023 0.000 1.113 328 F CA 1.549 59.532 58.000 -0.028 0.000 1.214 328 F CB -0.078 38.895 39.000 -0.045 0.000 0.978 328 F HN -0.087 nan 8.300 nan 0.000 0.474 329 M N 0.466 120.135 119.600 0.115 0.000 2.117 329 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 329 M C 1.746 178.019 176.300 -0.045 0.000 1.065 329 M CA 1.418 56.739 55.300 0.035 0.000 1.114 329 M CB -1.596 31.090 32.600 0.144 0.000 1.361 329 M HN 0.209 nan 8.290 nan 0.000 0.408 330 N N 0.415 119.107 118.700 -0.014 0.000 2.459 330 N HA 0.020 4.760 4.740 -0.000 0.000 0.181 330 N C 1.496 176.975 175.510 -0.052 0.000 1.046 330 N CA 1.121 54.161 53.050 -0.016 0.000 0.904 330 N CB -0.141 38.352 38.487 0.010 0.000 0.964 330 N HN 0.350 nan 8.380 nan 0.000 0.444 331 A N 0.249 123.005 122.820 -0.107 0.000 2.132 331 A HA 0.166 4.485 4.320 -0.000 0.000 0.213 331 A C 0.877 178.372 177.584 -0.148 0.000 1.154 331 A CA -0.146 51.820 52.037 -0.118 0.000 0.753 331 A CB -0.142 18.782 19.000 -0.126 0.000 0.826 331 A HN 0.146 nan 8.150 nan 0.000 0.469 332 L N 0.056 121.156 121.223 -0.205 0.000 2.525 332 L HA 0.006 4.346 4.340 -0.000 0.000 0.278 332 L C 1.153 178.001 176.870 -0.037 0.000 1.218 332 L CA 0.165 54.918 54.840 -0.146 0.000 0.878 332 L CB 0.496 42.478 42.059 -0.128 0.000 1.127 332 L HN 0.414 nan 8.230 nan 0.000 0.492 333 Q N 1.445 121.246 119.800 0.000 0.000 2.288 333 Q HA 0.199 4.539 4.340 -0.000 0.000 0.256 333 Q C 1.355 177.365 176.000 0.017 0.000 0.835 333 Q CA -0.006 55.800 55.803 0.006 0.000 0.958 333 Q CB 0.807 29.540 28.738 -0.008 0.000 1.125 333 Q HN 0.672 nan 8.270 nan 0.000 0.513 334 L N -0.906 120.344 121.223 0.044 0.000 2.349 334 L HA 0.321 4.661 4.340 -0.000 0.000 0.200 334 L C -0.182 176.673 176.870 -0.025 0.000 1.064 334 L CA 0.128 54.962 54.840 -0.010 0.000 0.821 334 L CB 0.443 42.479 42.059 -0.038 0.000 1.027 334 L HN 0.116 nan 8.230 nan 0.000 0.476 335 F N 0.976 120.910 119.950 -0.026 0.000 2.578 335 F HA -0.001 4.526 4.527 -0.000 0.000 0.376 335 F C 0.846 176.641 175.800 -0.007 0.000 1.085 335 F CA 0.339 58.336 58.000 -0.004 0.000 1.260 335 F CB 0.764 39.769 39.000 0.009 0.000 1.095 335 F HN -0.074 nan 8.300 nan 0.000 0.573 336 S N 4.005 119.797 115.700 0.153 0.000 2.508 336 S HA 0.443 4.913 4.470 -0.000 0.000 0.284 336 S C -0.091 174.583 174.600 0.123 0.000 1.192 336 S CA -0.881 57.379 58.200 0.099 0.000 1.070 336 S CB 1.048 64.275 63.200 0.046 0.000 1.004 336 S HN 0.440 nan 8.310 nan 0.000 0.493 337 R N 2.000 122.553 120.500 0.088 0.000 2.248 337 R HA 0.574 4.914 4.340 -0.000 0.000 0.337 337 R C -0.064 176.275 176.300 0.066 0.000 1.085 337 R CA 0.037 56.188 56.100 0.084 0.000 0.934 337 R CB 0.214 30.551 30.300 0.063 0.000 1.034 337 R HN 0.710 nan 8.270 nan 0.000 0.465 338 A N 1.941 124.805 122.820 0.073 0.000 2.540 338 A HA 0.517 4.837 4.320 -0.000 0.000 0.291 338 A C -0.834 176.784 177.584 0.057 0.000 1.083 338 A CA -0.826 51.243 52.037 0.053 0.000 0.650 338 A CB 0.753 19.779 19.000 0.044 0.000 1.292 338 A HN 0.386 nan 8.150 nan 0.000 0.435 339 V N -1.601 118.341 119.914 0.046 0.000 3.234 339 V HA 0.949 5.069 4.120 -0.000 0.000 0.317 339 V C 0.487 176.614 176.094 0.056 0.000 1.081 339 V CA 0.309 62.643 62.300 0.058 0.000 1.037 339 V CB 0.801 32.657 31.823 0.054 0.000 1.148 339 V HN 2.772 nan 8.190 nan 0.000 0.453 340 S N -0.022 115.721 115.700 0.071 0.000 4.096 340 S HA 0.047 4.517 4.470 -0.000 0.000 0.650 340 S C -0.987 173.591 174.600 -0.037 0.000 1.154 340 S CA 0.511 58.728 58.200 0.029 0.000 1.313 340 S CB -1.062 62.142 63.200 0.007 0.000 0.336 340 S HN 2.561 nan 8.310 nan 0.000 1.523 341 L N -1.680 119.456 121.223 -0.145 0.000 3.041 341 L HA 0.839 5.179 4.340 -0.000 0.000 0.278 341 L C 0.958 177.517 176.870 -0.518 0.000 1.051 341 L CA -0.059 54.600 54.840 -0.303 0.000 0.957 341 L CB 0.642 42.467 42.059 -0.391 0.000 1.538 341 L HN 2.238 nan 8.230 nan 0.000 0.393 342 G N -0.747 107.504 108.800 -0.916 0.000 2.148 342 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.254 342 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.254 342 G C -0.301 174.327 174.900 -0.453 0.000 0.981 342 G CA 0.416 44.757 45.100 -1.264 0.000 0.670 342 G HN 0.793 nan 8.290 nan 0.000 0.528 343 D N -0.681 119.570 120.400 -0.248 0.000 2.332 343 D HA 0.637 5.277 4.640 -0.000 0.000 0.252 343 D C 1.486 177.789 176.300 0.006 0.000 1.050 343 D CA 0.170 54.108 54.000 -0.102 0.000 0.970 343 D CB 1.255 42.004 40.800 -0.085 0.000 1.141 343 D HN 0.244 nan 8.370 nan 0.000 0.485 344 A N 1.162 123.934 122.820 -0.080 0.000 2.019 344 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 344 A C 0.676 178.211 177.584 -0.081 0.000 1.164 344 A CA 1.054 53.029 52.037 -0.104 0.000 0.644 344 A CB -0.286 18.608 19.000 -0.176 0.000 0.805 344 A HN 0.526 nan 8.150 nan 0.000 0.449 345 E N 1.163 121.318 120.200 -0.075 0.000 2.259 345 E HA 0.355 4.705 4.350 -0.000 0.000 0.281 345 E C -0.767 175.765 176.600 -0.115 0.000 1.027 345 E CA -0.383 55.958 56.400 -0.099 0.000 0.838 345 E CB 0.796 30.452 29.700 -0.073 0.000 1.066 345 E HN 0.123 nan 8.360 nan 0.000 0.401 346 S N 2.633 118.191 115.700 -0.236 0.000 2.537 346 S HA 0.155 4.624 4.470 -0.000 0.000 0.286 346 S C -0.107 174.413 174.600 -0.133 0.000 1.299 346 S CA -0.362 57.627 58.200 -0.352 0.000 1.067 346 S CB 0.126 62.644 63.200 -1.137 0.000 0.864 346 S HN 0.272 nan 8.310 nan 0.000 0.494 347 L N 2.160 123.447 121.223 0.105 0.000 2.341 347 L HA 0.888 5.228 4.340 -0.000 0.000 0.267 347 L C 0.030 177.136 176.870 0.393 0.000 1.009 347 L CA -0.569 54.395 54.840 0.206 0.000 0.819 347 L CB 1.501 43.614 42.059 0.089 0.000 1.323 347 L HN 0.765 nan 8.230 nan 0.000 0.425 348 A N 2.168 125.176 122.820 0.313 0.000 2.515 348 A HA 0.845 5.165 4.320 -0.000 0.000 0.298 348 A C -1.444 176.243 177.584 0.173 0.000 1.059 348 A CA -0.431 51.757 52.037 0.251 0.000 0.698 348 A CB 2.043 21.173 19.000 0.217 0.000 1.289 348 A HN 0.709 nan 8.150 nan 0.000 0.404 349 Q N 0.753 120.644 119.800 0.151 0.000 2.435 349 Q HA 0.561 4.901 4.340 -0.000 0.000 0.282 349 Q C -1.570 174.524 176.000 0.157 0.000 1.020 349 Q CA -0.776 55.107 55.803 0.134 0.000 0.820 349 Q CB 1.675 30.474 28.738 0.100 0.000 1.436 349 Q HN 0.864 nan 8.270 nan 0.000 0.395 350 H N 2.033 121.117 119.070 0.023 0.000 2.854 350 H HA 0.246 4.802 4.556 -0.000 0.000 0.275 350 H C -2.243 173.088 175.328 0.004 0.000 1.198 350 H CA -2.255 53.789 56.048 -0.006 0.000 1.489 350 H CB 1.694 31.461 29.762 0.007 0.000 1.519 350 H HN 0.504 nan 8.280 nan 0.000 0.503 351 P HA -0.236 nan 4.420 nan 0.000 0.217 351 P C 1.449 178.657 177.300 -0.154 0.000 1.158 351 P CA 2.299 65.383 63.100 -0.027 0.000 0.887 351 P CB 0.163 31.921 31.700 0.097 0.000 0.792 352 A N -0.331 122.250 122.820 -0.399 0.000 1.940 352 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 352 A C 2.211 179.578 177.584 -0.362 0.000 1.176 352 A CA 2.510 54.320 52.037 -0.378 0.000 0.631 352 A CB -1.376 17.406 19.000 -0.364 0.000 0.814 352 A HN 0.383 nan 8.150 nan 0.000 0.446 353 S N -3.059 112.316 115.700 -0.543 0.000 2.539 353 S HA 0.448 4.918 4.470 -0.000 0.000 0.221 353 S C 1.153 175.684 174.600 -0.116 0.000 0.987 353 S CA 0.302 58.378 58.200 -0.206 0.000 0.929 353 S CB 0.002 63.197 63.200 -0.008 0.000 0.832 353 S HN 0.440 nan 8.310 nan 0.000 0.492 354 M N 1.219 120.726 119.600 -0.156 0.000 3.119 354 M HA 0.160 4.640 4.480 -0.000 0.000 0.160 354 M C 2.349 178.538 176.300 -0.186 0.000 1.675 354 M CA 1.103 56.336 55.300 -0.112 0.000 1.577 354 M CB -0.275 32.287 32.600 -0.062 0.000 0.826 354 M HN 0.345 nan 8.290 nan 0.000 0.549 355 T N -1.831 112.560 114.554 -0.272 0.000 2.881 355 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 355 T C 0.797 175.052 174.700 -0.741 0.000 1.068 355 T CA 1.541 63.353 62.100 -0.480 0.000 1.131 355 T CB -0.627 67.883 68.868 -0.597 0.000 0.871 355 T HN 0.483 nan 8.240 nan 0.000 0.479 356 H N -0.252 118.597 119.070 -0.368 0.000 2.581 356 H HA 0.527 5.083 4.556 -0.000 0.000 0.275 356 H C 1.986 177.093 175.328 -0.369 0.000 1.126 356 H CA 0.142 55.826 56.048 -0.608 0.000 1.097 356 H CB 0.402 29.722 29.762 -0.737 0.000 1.626 356 H HN 0.279 nan 8.280 nan 0.000 0.565 357 S N 0.388 115.992 115.700 -0.160 0.000 2.440 357 S HA -0.190 4.280 4.470 -0.000 0.000 0.238 357 S C 1.905 176.504 174.600 -0.002 0.000 1.010 357 S CA 1.667 59.822 58.200 -0.076 0.000 0.972 357 S CB -0.074 63.086 63.200 -0.067 0.000 0.774 357 S HN 0.550 nan 8.310 nan 0.000 0.501 358 S N 0.184 115.902 115.700 0.030 0.000 2.387 358 S HA 0.057 4.527 4.470 -0.000 0.000 0.226 358 S C 0.651 175.398 174.600 0.245 0.000 1.026 358 S CA 0.257 58.534 58.200 0.129 0.000 0.972 358 S CB -0.496 62.795 63.200 0.151 0.000 0.814 358 S HN 0.533 nan 8.310 nan 0.000 0.477 359 Y N 3.481 123.775 120.300 -0.010 0.000 2.245 359 Y HA 0.281 4.830 4.550 -0.000 0.000 0.355 359 Y C 1.623 177.523 175.900 0.000 0.000 1.278 359 Y CA -0.877 57.220 58.100 -0.006 0.000 1.593 359 Y CB -0.570 37.887 38.460 -0.004 0.000 1.393 359 Y HN 0.206 nan 8.280 nan 0.000 0.662 360 T N -2.673 111.989 114.554 0.181 0.000 2.952 360 T HA 0.347 4.697 4.350 -0.000 0.000 0.286 360 T C -2.159 172.605 174.700 0.106 0.000 1.024 360 T CA -2.175 59.984 62.100 0.099 0.000 1.029 360 T CB 1.859 70.757 68.868 0.050 0.000 1.094 360 T HN 0.163 nan 8.240 nan 0.000 0.515 361 P HA -0.124 nan 4.420 nan 0.000 0.216 361 P C 1.061 178.405 177.300 0.074 0.000 1.150 361 P CA 1.267 64.404 63.100 0.062 0.000 0.843 361 P CB 0.043 31.770 31.700 0.044 0.000 0.787 362 E N -0.207 120.034 120.200 0.068 0.000 2.072 362 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 362 E C 1.979 178.648 176.600 0.115 0.000 0.985 362 E CA 1.011 57.455 56.400 0.072 0.000 0.801 362 E CB -0.743 28.981 29.700 0.040 0.000 0.750 362 E HN 0.392 nan 8.360 nan 0.000 0.452 363 E N 0.721 120.991 120.200 0.116 0.000 2.110 363 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 363 E C 2.183 179.019 176.600 0.394 0.000 0.988 363 E CA 0.755 57.260 56.400 0.174 0.000 0.804 363 E CB -0.047 29.681 29.700 0.047 0.000 0.745 363 E HN 0.146 nan 8.360 nan 0.000 0.458 364 R N 0.275 120.959 120.500 0.306 0.000 2.062 364 R HA -0.037 4.303 4.340 -0.000 0.000 0.229 364 R C 2.399 178.783 176.300 0.141 0.000 1.128 364 R CA 1.022 57.248 56.100 0.210 0.000 0.960 364 R CB -0.241 30.095 30.300 0.061 0.000 0.855 364 R HN 0.094 nan 8.270 nan 0.000 0.432 365 A N 0.272 123.158 122.820 0.111 0.000 1.933 365 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 365 A C 1.880 179.501 177.584 0.061 0.000 1.175 365 A CA 1.869 53.943 52.037 0.061 0.000 0.628 365 A CB -0.765 18.266 19.000 0.051 0.000 0.814 365 A HN 0.495 nan 8.150 nan 0.000 0.444 366 H N -2.422 116.654 119.070 0.010 0.000 2.387 366 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 366 H C 1.210 176.437 175.328 -0.169 0.000 1.090 366 H CA 1.955 57.956 56.048 -0.079 0.000 1.332 366 H CB -0.238 29.474 29.762 -0.084 0.000 1.386 366 H HN 0.536 nan 8.280 nan 0.000 0.516 367 Y N -0.227 120.104 120.300 0.051 0.000 2.462 367 Y HA 0.171 4.721 4.550 -0.000 0.000 0.293 367 Y C 1.799 177.598 175.900 -0.168 0.000 1.195 367 Y CA 0.472 58.533 58.100 -0.065 0.000 1.276 367 Y CB 0.294 38.743 38.460 -0.019 0.000 1.082 367 Y HN 0.521 nan 8.280 nan 0.000 0.514 368 G N 0.666 109.434 108.800 -0.054 0.000 2.168 368 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 368 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 368 G C 0.085 174.932 174.900 -0.088 0.000 0.977 368 G CA 0.136 45.183 45.100 -0.090 0.000 0.659 368 G HN 0.308 nan 8.290 nan 0.000 0.533 369 I N 2.240 122.753 120.570 -0.095 0.000 2.308 369 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 369 I C 1.134 177.202 176.117 -0.081 0.000 1.078 369 I CA 0.075 61.281 61.300 -0.157 0.000 1.292 369 I CB 1.304 39.088 38.000 -0.361 0.000 1.423 369 I HN 0.194 nan 8.210 nan 0.000 0.493 370 S N 4.345 120.017 115.700 -0.047 0.000 2.580 370 S HA 0.076 4.546 4.470 -0.000 0.000 0.266 370 S C 1.306 175.909 174.600 0.004 0.000 1.354 370 S CA -0.172 58.025 58.200 -0.006 0.000 1.008 370 S CB 0.745 63.959 63.200 0.022 0.000 0.898 370 S HN 0.578 nan 8.310 nan 0.000 0.555 371 E N 2.104 122.324 120.200 0.033 0.000 2.140 371 E HA 0.090 4.440 4.350 -0.000 0.000 0.191 371 E C 1.640 178.345 176.600 0.176 0.000 0.973 371 E CA 0.996 57.436 56.400 0.067 0.000 0.829 371 E CB -0.613 29.120 29.700 0.055 0.000 0.781 371 E HN 0.794 nan 8.360 nan 0.000 0.466 372 G N 0.887 109.743 108.800 0.094 0.000 3.277 372 G HA2 0.162 4.121 3.960 -0.000 0.000 0.243 372 G HA3 0.162 4.121 3.960 -0.000 0.000 0.243 372 G C 0.282 175.130 174.900 -0.086 0.000 1.107 372 G CA -0.384 44.729 45.100 0.020 0.000 0.771 372 G HN 0.094 nan 8.290 nan 0.000 0.544 373 L N 1.801 123.025 121.223 0.001 0.000 2.361 373 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 373 L C -0.106 176.704 176.870 -0.099 0.000 1.113 373 L CA -0.547 54.243 54.840 -0.084 0.000 0.849 373 L CB 1.429 43.498 42.059 0.016 0.000 1.155 373 L HN -0.075 nan 8.230 nan 0.000 0.452 374 V N 6.057 125.695 119.914 -0.461 0.000 2.628 374 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 374 V C -0.731 175.181 176.094 -0.304 0.000 1.045 374 V CA -0.703 61.353 62.300 -0.406 0.000 0.905 374 V CB 1.814 33.207 31.823 -0.716 0.000 0.997 374 V HN 0.978 nan 8.190 nan 0.000 0.436 375 R N 5.055 125.531 120.500 -0.039 0.000 2.514 375 R HA 0.728 5.068 4.340 -0.000 0.000 0.301 375 R C -1.719 174.667 176.300 0.142 0.000 0.962 375 R CA -0.758 55.393 56.100 0.085 0.000 0.882 375 R CB 1.638 32.016 30.300 0.130 0.000 1.143 375 R HN 0.879 nan 8.270 nan 0.000 0.452 376 L N 2.165 123.510 121.223 0.204 0.000 2.362 376 L HA 0.381 4.721 4.340 -0.000 0.000 0.275 376 L C -0.170 176.855 176.870 0.258 0.000 0.998 376 L CA -0.736 54.260 54.840 0.259 0.000 0.820 376 L CB 2.128 44.343 42.059 0.261 0.000 1.270 376 L HN 0.533 nan 8.230 nan 0.000 0.415 377 S N 2.548 118.407 115.700 0.264 0.000 2.488 377 S HA 0.407 4.877 4.470 -0.000 0.000 0.310 377 S C -0.304 174.428 174.600 0.220 0.000 1.093 377 S CA -0.604 57.680 58.200 0.140 0.000 1.129 377 S CB 0.402 63.600 63.200 -0.003 0.000 0.989 377 S HN 0.316 nan 8.310 nan 0.000 0.479 378 V N 5.919 125.985 119.914 0.253 0.000 2.446 378 V HA 0.348 4.468 4.120 -0.000 0.000 0.276 378 V C 1.512 177.769 176.094 0.272 0.000 1.030 378 V CA 0.237 62.686 62.300 0.248 0.000 1.033 378 V CB 0.150 32.109 31.823 0.226 0.000 0.993 378 V HN 0.886 nan 8.190 nan 0.000 0.477 379 G N 3.759 112.606 108.800 0.077 0.000 2.509 379 G HA2 0.430 4.390 3.960 -0.000 0.000 0.269 379 G HA3 0.430 4.390 3.960 -0.000 0.000 0.269 379 G C 0.483 175.314 174.900 -0.115 0.000 1.416 379 G CA -0.784 44.358 45.100 0.069 0.000 1.052 379 G HN 0.646 nan 8.290 nan 0.000 0.542 380 L N -0.200 120.892 121.223 -0.217 0.000 2.628 380 L HA 0.240 4.580 4.340 -0.000 0.000 0.229 380 L C 0.567 177.339 176.870 -0.163 0.000 1.137 380 L CA -0.045 54.642 54.840 -0.255 0.000 0.909 380 L CB -0.245 41.642 42.059 -0.286 0.000 1.137 380 L HN 0.363 nan 8.230 nan 0.000 0.470 381 E N 0.247 120.356 120.200 -0.152 0.000 2.416 381 E HA -0.011 4.339 4.350 -0.000 0.000 0.254 381 E C 0.098 176.634 176.600 -0.106 0.000 1.241 381 E CA -0.210 56.113 56.400 -0.128 0.000 0.969 381 E CB 0.396 30.004 29.700 -0.153 0.000 0.999 381 E HN -0.041 nan 8.360 nan 0.000 0.481 382 D N 0.614 120.962 120.400 -0.087 0.000 2.450 382 D HA -0.044 4.596 4.640 -0.000 0.000 0.247 382 D C 0.873 177.131 176.300 -0.070 0.000 1.162 382 D CA 0.003 53.961 54.000 -0.070 0.000 0.879 382 D CB 0.628 41.392 40.800 -0.059 0.000 1.163 382 D HN 0.337 nan 8.370 nan 0.000 0.472 383 I N 3.048 123.581 120.570 -0.062 0.000 2.194 383 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 383 I C 1.874 177.945 176.117 -0.077 0.000 1.093 383 I CA 0.951 62.215 61.300 -0.061 0.000 1.355 383 I CB -0.340 37.627 38.000 -0.054 0.000 1.046 383 I HN 0.297 nan 8.210 nan 0.000 0.413 384 D N 1.075 121.432 120.400 -0.071 0.000 2.149 384 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 384 D C 1.808 178.062 176.300 -0.076 0.000 0.990 384 D CA 1.455 55.408 54.000 -0.078 0.000 0.839 384 D CB -0.336 40.429 40.800 -0.058 0.000 0.948 384 D HN 0.448 nan 8.370 nan 0.000 0.460 385 D N 0.143 120.504 120.400 -0.064 0.000 2.149 385 D HA -0.036 4.604 4.640 -0.000 0.000 0.201 385 D C 2.439 178.714 176.300 -0.041 0.000 0.972 385 D CA 0.222 54.189 54.000 -0.055 0.000 0.835 385 D CB -0.129 40.636 40.800 -0.059 0.000 0.966 385 D HN 0.239 nan 8.370 nan 0.000 0.476 386 L N 0.370 121.568 121.223 -0.042 0.000 2.027 386 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 386 L C 2.589 179.483 176.870 0.041 0.000 1.074 386 L CA 0.684 55.548 54.840 0.039 0.000 0.745 386 L CB -0.376 41.699 42.059 0.026 0.000 0.898 386 L HN 0.016 nan 8.230 nan 0.000 0.433 387 L N -0.387 120.769 121.223 -0.112 0.000 2.046 387 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 387 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