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 1pby_1_A DATA FIRST_RESID 1 DATA SEQUENCE VTGEEVLQNA CAACHVQHED GRWERIDAAR KTPEGWDMTV TRMMRNHGVA DATA SEQUENCE LEPEERAAIV RHLSDTRGLS LAETEERRYI LEREPVAWDE GPDTSMTQTC DATA SEQUENCE GRCHSYARVA LQRRTPEDWK HLVNFHLGQF PTLEYQALAR DRDWWGIAQA DATA SEQUENCE EIIPFLARTY PLGEAPDAYA DDASGAYVLA GRQPGRGDYT GRLVLKKAGE DATA SEQUENCE DYEVTMTLDF ADGSRSFSGT GRILGAGEWR ATLSDGTVTI RQIFALQDGR DATA SEQUENCE FSGRWHDADS DVIGGRLAAV KADAAPQVLA VAPARLKIGE ETQLRVAGTG DATA SEQUENCE LGSDLTLPEG VAGSVESAGN GVTVLKLTAT GTPGPVSLEL GGQKVDLVAY DATA SEQUENCE DRPDRISIVP DLTIARIGGN GGPIPKVPAQ FEAMGWLNGP DGQPGTGDDI DATA SEQUENCE ALGAFPASWA TDNFDEEAEK MQDAKYAGSI DDTGLFTPAE AGPNPERPMQ DATA SEQUENCE TNNAGNLKVI ATVDAEGEPL SAEAHLYATV QRFVDAPIR 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.050 176.094 -0.074 0.000 1.182 1 V CA 0.000 62.265 62.300 -0.059 0.000 1.235 1 V CB 0.000 31.787 31.823 -0.060 0.000 1.184 2 T N -0.573 113.923 114.554 -0.097 0.000 2.952 2 T HA 0.658 5.008 4.350 -0.000 0.000 0.286 2 T C 1.265 175.840 174.700 -0.209 0.000 1.024 2 T CA 0.139 62.158 62.100 -0.135 0.000 1.029 2 T CB 1.863 70.649 68.868 -0.137 0.000 1.094 2 T HN 1.236 nan 8.240 nan 0.000 0.515 3 G N 0.263 108.867 108.800 -0.326 0.000 2.421 3 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 3 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 3 G C 1.268 175.821 174.900 -0.580 0.000 1.171 3 G CA 0.963 45.764 45.100 -0.499 0.000 0.775 3 G HN 0.821 nan 8.290 nan 0.000 0.543 4 E N 0.769 120.590 120.200 -0.632 0.000 2.130 4 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 4 E C 2.194 178.671 176.600 -0.204 0.000 0.998 4 E CA 1.782 57.969 56.400 -0.355 0.000 0.806 4 E CB -0.348 29.224 29.700 -0.215 0.000 0.738 4 E HN 0.641 nan 8.360 nan 0.000 0.459 5 E N -0.862 119.228 120.200 -0.184 0.000 2.047 5 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 5 E C 1.984 178.510 176.600 -0.124 0.000 0.987 5 E CA 1.492 57.822 56.400 -0.117 0.000 0.799 5 E CB 0.059 29.699 29.700 -0.100 0.000 0.752 5 E HN 0.208 nan 8.360 nan 0.000 0.449 6 V N 1.217 121.032 119.914 -0.164 0.000 2.427 6 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 6 V C 2.392 178.360 176.094 -0.211 0.000 1.051 6 V CA 1.256 63.461 62.300 -0.159 0.000 1.048 6 V CB -0.414 31.313 31.823 -0.161 0.000 0.666 6 V HN 0.332 nan 8.190 nan 0.000 0.456 7 L N -0.401 120.634 121.223 -0.314 0.000 2.017 7 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 7 L C 2.818 179.487 176.870 -0.334 0.000 1.073 7 L CA 1.526 56.043 54.840 -0.538 0.000 0.745 7 L CB -0.499 41.078 42.059 -0.805 0.000 0.894 7 L HN 0.346 nan 8.230 nan 0.000 0.432 8 Q N -0.516 119.234 119.800 -0.083 0.000 2.137 8 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 8 Q C 1.689 177.720 176.000 0.052 0.000 0.960 8 Q CA 1.335 57.205 55.803 0.111 0.000 0.847 8 Q CB -0.302 28.504 28.738 0.113 0.000 0.915 8 Q HN 0.666 nan 8.270 nan 0.000 0.448 9 N N -0.535 118.159 118.700 -0.011 0.000 2.405 9 N HA 0.098 4.838 4.740 -0.000 0.000 0.175 9 N C 1.239 176.740 175.510 -0.014 0.000 1.051 9 N CA 0.524 53.568 53.050 -0.009 0.000 0.899 9 N CB 0.447 38.920 38.487 -0.023 0.000 1.000 9 N HN 0.116 nan 8.380 nan 0.000 0.451 10 A N -0.103 122.694 122.820 -0.038 0.000 1.971 10 A HA 0.130 4.450 4.320 -0.000 0.000 0.200 10 A C 2.092 179.665 177.584 -0.018 0.000 1.658 10 A CA -0.026 51.992 52.037 -0.030 0.000 0.962 10 A CB -0.461 18.509 19.000 -0.050 0.000 1.053 10 A HN 0.298 nan 8.150 nan 0.000 0.533 11 C N 0.463 119.715 119.300 -0.080 0.000 2.425 11 C HA 0.135 4.595 4.460 -0.000 0.000 0.277 11 C C 3.035 178.084 174.990 0.100 0.000 1.280 11 C CA 0.902 59.882 59.018 -0.064 0.000 1.744 11 C CB -1.284 26.256 27.740 -0.333 0.000 1.989 11 C HN 0.658 nan 8.230 nan 0.000 0.491 12 A N 0.680 123.575 122.820 0.124 0.000 2.186 12 A HA 0.141 4.461 4.320 -0.000 0.000 0.219 12 A C 2.262 179.950 177.584 0.172 0.000 1.159 12 A CA 1.613 53.835 52.037 0.308 0.000 0.680 12 A CB -0.559 18.649 19.000 0.346 0.000 0.787 12 A HN 0.609 nan 8.150 nan 0.000 0.467 13 A N -1.821 121.064 122.820 0.108 0.000 2.019 13 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 13 A C 1.942 179.551 177.584 0.042 0.000 1.164 13 A CA 1.800 53.875 52.037 0.063 0.000 0.644 13 A CB -0.575 18.451 19.000 0.043 0.000 0.805 13 A HN 0.632 nan 8.150 nan 0.000 0.449 14 C N -3.170 116.163 119.300 0.055 0.000 3.264 14 C HA 0.274 4.734 4.460 -0.000 0.000 0.555 14 C C 0.621 175.546 174.990 -0.109 0.000 1.349 14 C CA -0.721 58.265 59.018 -0.053 0.000 2.522 14 C CB -0.518 27.146 27.740 -0.127 0.000 3.588 14 C HN 0.549 nan 8.230 nan 0.000 0.547 15 H N 1.924 121.031 119.070 0.062 0.000 2.864 15 H HA 0.298 4.854 4.556 -0.000 0.000 0.281 15 H C -0.278 175.154 175.328 0.174 0.000 1.093 15 H CA 0.515 56.634 56.048 0.118 0.000 1.453 15 H CB 0.848 30.698 29.762 0.148 0.000 1.462 15 H HN 0.113 nan 8.280 nan 0.000 0.480 16 V N 4.547 124.509 119.914 0.080 0.000 2.572 16 V HA -0.032 4.088 4.120 -0.000 0.000 0.291 16 V C 0.703 176.589 176.094 -0.346 0.000 1.039 16 V CA 0.015 62.259 62.300 -0.093 0.000 1.055 16 V CB 1.187 32.937 31.823 -0.122 0.000 0.969 16 V HN 0.711 nan 8.190 nan 0.000 0.482 17 Q N 4.596 124.062 119.800 -0.555 0.000 2.390 17 Q HA 0.226 4.566 4.340 -0.000 0.000 0.249 17 Q C -0.260 175.389 176.000 -0.585 0.000 0.996 17 Q CA -0.700 54.513 55.803 -0.984 0.000 0.899 17 Q CB 0.414 28.208 28.738 -1.573 0.000 1.216 17 Q HN 0.806 nan 8.270 nan 0.000 0.465 18 H N 2.271 121.179 119.070 -0.270 0.000 2.822 18 H HA -0.053 4.503 4.556 0.000 0.000 0.373 18 H C 0.602 175.830 175.328 -0.167 0.000 1.223 18 H CA 0.423 56.377 56.048 -0.158 0.000 1.436 18 H CB 0.736 30.445 29.762 -0.087 0.000 1.439 18 H HN 0.745 nan 8.280 nan 0.000 0.618 19 E N 0.350 120.566 120.200 0.027 0.000 2.267 19 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 19 E C 0.822 177.407 176.600 -0.025 0.000 0.998 19 E CA 1.409 57.795 56.400 -0.023 0.000 0.830 19 E CB -0.003 29.689 29.700 -0.012 0.000 0.751 19 E HN 0.622 nan 8.360 nan 0.000 0.491 20 D N -1.349 119.052 120.400 0.002 0.000 2.349 20 D HA 0.018 4.658 4.640 -0.000 0.000 0.224 20 D C 1.302 177.592 176.300 -0.017 0.000 1.029 20 D CA 0.789 54.788 54.000 -0.001 0.000 0.879 20 D CB 0.346 41.156 40.800 0.016 0.000 0.906 20 D HN 0.182 nan 8.370 nan 0.000 0.528 21 G N -0.111 108.647 108.800 -0.071 0.000 2.279 21 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.223 21 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.223 21 G C 0.454 175.250 174.900 -0.172 0.000 1.015 21 G CA -0.191 44.836 45.100 -0.121 0.000 0.621 21 G HN 0.396 nan 8.290 nan 0.000 0.506 22 R N -0.264 120.210 120.500 -0.043 0.000 2.643 22 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 22 R C -0.413 175.836 176.300 -0.085 0.000 1.061 22 R CA 0.006 56.137 56.100 0.052 0.000 1.107 22 R CB 0.300 30.695 30.300 0.159 0.000 0.999 22 R HN 0.301 nan 8.270 nan 0.000 0.460 23 W N 1.330 122.627 121.300 -0.004 0.000 2.417 23 W HA 0.163 4.823 4.660 0.000 0.000 0.317 23 W C 0.322 176.832 176.519 -0.015 0.000 1.121 23 W CA -0.583 56.714 57.345 -0.079 0.000 1.208 23 W CB 0.596 30.020 29.460 -0.061 0.000 1.253 23 W HN 0.441 nan 8.180 nan 0.000 0.533 24 E N 3.140 123.414 120.200 0.123 0.000 2.465 24 E HA -0.046 4.304 4.350 -0.000 0.000 0.260 24 E C 0.951 177.771 176.600 0.368 0.000 0.980 24 E CA 0.881 57.430 56.400 0.248 0.000 0.927 24 E CB 0.343 30.127 29.700 0.141 0.000 0.934 24 E HN 0.447 nan 8.360 nan 0.000 0.459 25 R N 2.791 123.467 120.500 0.292 0.000 1.242 25 R HA -0.298 4.042 4.340 -0.000 0.000 0.031 25 R C 1.938 178.357 176.300 0.198 0.000 0.958 25 R CA 2.202 58.449 56.100 0.244 0.000 1.982 25 R CB -2.441 28.038 30.300 0.298 0.000 0.179 25 R HN 0.743 nan 8.270 nan 0.000 0.729 26 I N 1.507 122.169 120.570 0.153 0.000 2.185 26 I HA -0.245 3.925 4.170 -0.000 0.000 0.246 26 I C 1.354 177.554 176.117 0.138 0.000 1.088 26 I CA 2.036 63.379 61.300 0.072 0.000 1.347 26 I CB -0.321 37.594 38.000 -0.141 0.000 1.041 26 I HN 0.203 nan 8.210 nan 0.000 0.415 27 D N 0.428 120.938 120.400 0.183 0.000 2.336 27 D HA 0.206 4.846 4.640 -0.000 0.000 0.228 27 D C 1.093 177.483 176.300 0.151 0.000 1.120 27 D CA 0.319 54.421 54.000 0.169 0.000 0.839 27 D CB 0.631 41.554 40.800 0.204 0.000 0.932 27 D HN 0.310 nan 8.370 nan 0.000 0.509 28 A N -0.075 122.833 122.820 0.146 0.000 2.564 28 A HA 0.627 4.947 4.320 -0.000 0.000 0.279 28 A C 0.508 178.106 177.584 0.025 0.000 1.232 28 A CA -0.124 51.970 52.037 0.095 0.000 0.950 28 A CB 0.588 19.654 19.000 0.110 0.000 1.138 28 A HN 0.112 nan 8.150 nan 0.000 0.526 29 A N -0.082 122.779 122.820 0.067 0.000 2.594 29 A HA 0.817 5.137 4.320 -0.000 0.000 0.295 29 A C -0.740 176.910 177.584 0.110 0.000 1.071 29 A CA -0.668 51.352 52.037 -0.029 0.000 0.685 29 A CB 1.231 20.136 19.000 -0.158 0.000 1.285 29 A HN 0.268 nan 8.150 nan 0.000 0.405 30 R N 0.583 121.075 120.500 -0.013 0.000 2.686 30 R HA 0.681 5.020 4.340 -0.000 0.000 0.283 30 R C -0.891 175.312 176.300 -0.162 0.000 0.978 30 R CA -0.711 55.436 56.100 0.079 0.000 0.897 30 R CB 2.694 33.054 30.300 0.100 0.000 1.192 30 R HN 0.943 nan 8.270 nan 0.000 0.457 31 K N -0.910 119.355 120.400 -0.224 0.000 2.614 31 K HA 0.315 4.635 4.320 -0.000 0.000 0.293 31 K C -0.661 175.810 176.600 -0.217 0.000 1.045 31 K CA -0.914 55.140 56.287 -0.388 0.000 0.880 31 K CB 1.125 33.156 32.500 -0.781 0.000 1.552 31 K HN 0.539 nan 8.250 nan 0.000 0.404 32 T N -2.186 112.257 114.554 -0.185 0.000 2.766 32 T HA 0.207 4.557 4.350 -0.000 0.000 0.295 32 T C -1.893 172.822 174.700 0.024 0.000 1.024 32 T CA -1.160 60.913 62.100 -0.045 0.000 1.018 32 T CB 0.642 69.474 68.868 -0.059 0.000 1.002 32 T HN 0.338 nan 8.240 nan 0.000 0.532 33 P HA -0.034 nan 4.420 nan 0.000 0.215 33 P C 1.333 178.676 177.300 0.072 0.000 1.153 33 P CA 0.963 64.137 63.100 0.124 0.000 0.853 33 P CB 0.031 31.768 31.700 0.063 0.000 0.788 34 E N -0.719 119.485 120.200 0.007 0.000 2.110 34 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 34 E C 2.233 178.800 176.600 -0.056 0.000 0.988 34 E CA 1.508 57.895 56.400 -0.021 0.000 0.804 34 E CB -1.356 28.322 29.700 -0.037 0.000 0.745 34 E HN 0.197 nan 8.360 nan 0.000 0.458 35 G N -0.239 108.485 108.800 -0.125 0.000 2.421 35 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 35 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 35 G C 1.177 175.941 174.900 -0.227 0.000 1.171 35 G CA 0.663 45.614 45.100 -0.249 0.000 0.775 35 G HN 0.307 nan 8.290 nan 0.000 0.543 36 W N 0.647 121.899 121.300 -0.080 0.000 2.374 36 W HA 0.027 4.687 4.660 -0.000 0.000 0.288 36 W C 2.300 178.771 176.519 -0.080 0.000 1.218 36 W CA 0.526 57.818 57.345 -0.088 0.000 1.245 36 W CB 0.083 29.489 29.460 -0.090 0.000 1.126 36 W HN 0.187 nan 8.180 nan 0.000 0.545 37 D N 0.190 120.674 120.400 0.139 0.000 2.097 37 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 37 D C 2.011 178.329 176.300 0.031 0.000 0.989 37 D CA 1.680 55.718 54.000 0.064 0.000 0.827 37 D CB -0.407 40.410 40.800 0.029 0.000 0.966 37 D HN 0.077 nan 8.370 nan 0.000 0.456 38 M N -0.378 119.220 119.600 -0.003 0.000 2.117 38 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 38 M C 2.207 178.493 176.300 -0.024 0.000 1.065 38 M CA 1.590 56.875 55.300 -0.025 0.000 1.114 38 M CB -0.351 32.213 32.600 -0.061 0.000 1.361 38 M HN 0.005 nan 8.290 nan 0.000 0.408 39 T N 0.350 114.891 114.554 -0.021 0.000 2.708 39 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 39 T C 1.866 176.584 174.700 0.030 0.000 1.037 39 T CA 1.409 63.502 62.100 -0.011 0.000 1.146 39 T CB -0.368 68.523 68.868 0.038 0.000 0.865 39 T HN 0.142 nan 8.240 nan 0.000 0.435 40 V N 1.621 121.571 119.914 0.060 0.000 2.407 40 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 40 V C 2.782 178.884 176.094 0.013 0.000 1.055 40 V CA 1.922 64.240 62.300 0.030 0.000 1.049 40 V CB -1.152 30.683 31.823 0.020 0.000 0.662 40 V HN 0.536 nan 8.190 nan 0.000 0.455 41 T N -0.519 114.040 114.554 0.009 0.000 2.746 41 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 41 T C 2.059 176.754 174.700 -0.009 0.000 1.039 41 T CA 1.822 63.922 62.100 -0.000 0.000 1.142 41 T CB -0.254 68.615 68.868 0.001 0.000 0.866 41 T HN 0.398 nan 8.240 nan 0.000 0.444 42 R N 0.165 120.657 120.500 -0.013 0.000 2.115 42 R HA -0.018 4.322 4.340 -0.000 0.000 0.230 42 R C 2.295 178.565 176.300 -0.051 0.000 1.111 42 R CA 1.032 57.108 56.100 -0.039 0.000 0.976 42 R CB -0.151 30.120 30.300 -0.048 0.000 0.870 42 R HN 0.239 nan 8.270 nan 0.000 0.445 43 M N -0.033 119.587 119.600 0.034 0.000 2.117 43 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 43 M C 2.175 178.505 176.300 0.051 0.000 1.065 43 M CA 1.746 57.121 55.300 0.125 0.000 1.114 43 M CB -0.710 31.957 32.600 0.113 0.000 1.361 43 M HN 0.251 nan 8.290 nan 0.000 0.408 44 M N -1.268 118.339 119.600 0.012 0.000 2.099 44 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 44 M C 2.399 178.684 176.300 -0.025 0.000 1.067 44 M CA 1.493 56.792 55.300 -0.001 0.000 1.124 44 M CB -0.493 32.104 32.600 -0.005 0.000 1.353 44 M HN 0.199 nan 8.290 nan 0.000 0.410 45 R N 0.692 121.163 120.500 -0.047 0.000 2.057 45 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 45 R C 1.587 177.817 176.300 -0.117 0.000 1.136 45 R CA 1.609 57.672 56.100 -0.062 0.000 0.952 45 R CB -0.204 30.069 30.300 -0.046 0.000 0.848 45 R HN 0.512 nan 8.270 nan 0.000 0.430 46 N N -1.097 117.460 118.700 -0.238 0.000 2.333 46 N HA -0.078 4.662 4.740 -0.000 0.000 0.178 46 N C 0.385 175.607 175.510 -0.480 0.000 1.018 46 N CA 0.731 53.526 53.050 -0.427 0.000 0.882 46 N CB 0.195 38.265 38.487 -0.696 0.000 0.984 46 N HN 0.423 nan 8.380 nan 0.000 0.434 47 H N -0.955 118.121 119.070 0.009 0.000 2.581 47 H HA 0.280 4.836 4.556 0.000 0.000 0.275 47 H C 0.806 176.137 175.328 0.004 0.000 1.126 47 H CA -0.033 56.018 56.048 0.006 0.000 1.097 47 H CB 0.765 30.534 29.762 0.012 0.000 1.626 47 H HN 0.140 nan 8.280 nan 0.000 0.565 48 G N 1.325 110.153 108.800 0.047 0.000 2.258 48 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.274 48 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.274 48 G C 0.137 175.060 174.900 0.039 0.000 1.021 48 G CA 0.442 45.561 45.100 0.033 0.000 0.798 48 G HN 0.286 nan 8.290 nan 0.000 0.507 49 V N 0.831 120.775 119.914 0.051 0.000 2.403 49 V HA 0.482 4.602 4.120 -0.000 0.000 0.265 49 V C 1.148 177.251 176.094 0.015 0.000 1.034 49 V CA -0.049 62.275 62.300 0.040 0.000 1.036 49 V CB 0.551 32.404 31.823 0.050 0.000 1.032 49 V HN 0.996 nan 8.190 nan 0.000 0.478 50 A N 7.726 130.551 122.820 0.008 0.000 2.451 50 A HA 0.648 4.968 4.320 -0.000 0.000 0.266 50 A C -0.363 177.216 177.584 -0.010 0.000 1.119 50 A CA -0.048 51.988 52.037 -0.001 0.000 0.786 50 A CB -0.099 18.900 19.000 -0.002 0.000 1.061 50 A HN 0.813 nan 8.150 nan 0.000 0.503 51 L N 2.868 124.083 121.223 -0.013 0.000 2.438 51 L HA 0.368 4.708 4.340 -0.000 0.000 0.270 51 L C -0.292 176.565 176.870 -0.021 0.000 0.972 51 L CA -0.837 53.990 54.840 -0.022 0.000 0.831 51 L CB 1.970 44.014 42.059 -0.026 0.000 1.273 51 L HN 0.640 nan 8.230 nan 0.000 0.405 52 E N 2.783 122.969 120.200 -0.024 0.000 2.374 52 E HA 0.173 4.523 4.350 -0.000 0.000 0.260 52 E C -1.712 174.873 176.600 -0.025 0.000 1.101 52 E CA -1.794 54.593 56.400 -0.023 0.000 0.907 52 E CB 0.976 30.662 29.700 -0.023 0.000 1.014 52 E HN 0.297 nan 8.360 nan 0.000 0.427 53 P HA -0.206 nan 4.420 nan 0.000 0.216 53 P C 0.579 177.861 177.300 -0.030 0.000 1.154 53 P CA 1.657 64.743 63.100 -0.024 0.000 0.865 53 P CB 0.334 32.020 31.700 -0.022 0.000 0.789 54 E N -0.300 119.882 120.200 -0.031 0.000 2.106 54 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 54 E C 1.891 178.465 176.600 -0.043 0.000 0.984 54 E CA 1.144 57.522 56.400 -0.036 0.000 0.806 54 E CB -0.870 28.810 29.700 -0.034 0.000 0.750 54 E HN 0.444 nan 8.360 nan 0.000 0.458 55 E N 0.690 120.864 120.200 -0.044 0.000 2.072 55 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 55 E C 2.186 178.751 176.600 -0.058 0.000 0.985 55 E CA 0.737 57.104 56.400 -0.055 0.000 0.801 55 E CB -0.129 29.540 29.700 -0.052 0.000 0.750 55 E HN 0.118 nan 8.360 nan 0.000 0.452 56 R N 1.013 121.485 120.500 -0.046 0.000 2.080 56 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 56 R C 2.311 178.585 176.300 -0.043 0.000 1.137 56 R CA 1.577 57.652 56.100 -0.041 0.000 0.943 56 R CB -0.282 30.001 30.300 -0.029 0.000 0.846 56 R HN 0.164 nan 8.270 nan 0.000 0.431 57 A N 0.526 123.322 122.820 -0.040 0.000 1.933 57 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 57 A C 2.340 179.897 177.584 -0.045 0.000 1.175 57 A CA 1.687 53.700 52.037 -0.040 0.000 0.628 57 A CB -0.717 18.260 19.000 -0.040 0.000 0.814 57 A HN 0.578 nan 8.150 nan 0.000 0.444 58 A N -0.368 122.420 122.820 -0.052 0.000 1.873 58 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 58 A C 2.100 179.647 177.584 -0.062 0.000 1.186 58 A CA 1.691 53.693 52.037 -0.058 0.000 0.616 58 A CB -0.548 18.408 19.000 -0.073 0.000 0.823 58 A HN 0.601 nan 8.150 nan 0.000 0.442 59 I N -0.323 120.196 120.570 -0.085 0.000 2.252 59 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 59 I C 2.228 178.272 176.117 -0.123 0.000 1.102 59 I CA 1.257 62.491 61.300 -0.110 0.000 1.385 59 I CB -0.220 37.693 38.000 -0.145 0.000 1.064 59 I HN 0.091 nan 8.210 nan 0.000 0.414 60 V N 1.118 120.980 119.914 -0.085 0.000 2.343 60 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 60 V C 2.718 178.767 176.094 -0.075 0.000 1.051 60 V CA 2.265 64.528 62.300 -0.061 0.000 1.036 60 V CB -0.925 30.897 31.823 -0.002 0.000 0.654 60 V HN 0.455 nan 8.190 nan 0.000 0.451 61 R N -0.802 119.667 120.500 -0.052 0.000 2.075 61 R HA -0.190 4.150 4.340 -0.000 0.000 0.232 61 R C 2.512 178.780 176.300 -0.053 0.000 1.126 61 R CA 1.708 57.786 56.100 -0.037 0.000 0.963 61 R CB -0.507 29.781 30.300 -0.020 0.000 0.858 61 R HN 0.712 nan 8.270 nan 0.000 0.435 62 H N 0.508 119.480 119.070 -0.163 0.000 2.319 62 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 62 H C 1.991 177.149 175.328 -0.283 0.000 1.092 62 H CA 1.981 57.914 56.048 -0.191 0.000 1.302 62 H CB 0.017 29.654 29.762 -0.209 0.000 1.373 62 H HN 0.237 nan 8.280 nan 0.000 0.497 63 L N 0.164 121.047 121.223 -0.568 0.000 2.083 63 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 63 L C 2.827 179.277 176.870 -0.701 0.000 1.083 63 L CA 1.191 55.436 54.840 -0.992 0.000 0.752 63 L CB -0.313 40.792 42.059 -1.591 0.000 0.899 63 L HN 0.197 nan 8.230 nan 0.000 0.433 64 S N -0.601 114.909 115.700 -0.317 0.000 2.402 64 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 64 S C 1.440 176.026 174.600 -0.023 0.000 1.021 64 S CA 1.097 59.298 58.200 0.002 0.000 0.974 64 S CB -0.195 63.045 63.200 0.067 0.000 0.800 64 S HN 0.419 nan 8.310 nan 0.000 0.484 65 D N 0.917 121.259 120.400 -0.096 0.000 2.234 65 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 65 D C 2.122 178.372 176.300 -0.083 0.000 0.962 65 D CA 1.479 55.450 54.000 -0.050 0.000 0.855 65 D CB -0.132 40.654 40.800 -0.023 0.000 0.951 65 D HN 0.603 nan 8.370 nan 0.000 0.500 66 T N -3.066 111.361 114.554 -0.212 0.000 2.969 66 T HA 0.227 4.577 4.350 -0.000 0.000 0.250 66 T C 1.248 175.871 174.700 -0.128 0.000 1.021 66 T CA -0.303 61.679 62.100 -0.196 0.000 1.003 66 T CB 0.512 69.165 68.868 -0.358 0.000 1.040 66 T HN -0.091 nan 8.240 nan 0.000 0.492 67 R N 1.141 121.564 120.500 -0.128 0.000 2.734 67 R HA 0.504 4.844 4.340 -0.000 0.000 0.395 67 R C 0.571 177.052 176.300 0.301 0.000 1.096 67 R CA -0.520 55.613 56.100 0.056 0.000 1.071 67 R CB 1.148 31.444 30.300 -0.006 0.000 1.348 67 R HN 0.395 nan 8.270 nan 0.000 0.600 68 G N 0.287 109.202 108.800 0.191 0.000 2.642 68 G HA2 0.590 4.550 3.960 -0.000 0.000 0.291 68 G HA3 0.590 4.550 3.960 -0.000 0.000 0.291 68 G C -0.327 174.651 174.900 0.131 0.000 1.345 68 G CA -0.652 44.576 45.100 0.213 0.000 1.043 68 G HN 0.012 nan 8.290 nan 0.000 0.528 69 L N -0.012 121.269 121.223 0.097 0.000 2.332 69 L HA 0.488 4.828 4.340 -0.000 0.000 0.269 69 L C 0.941 177.855 176.870 0.075 0.000 1.016 69 L CA -0.867 54.017 54.840 0.074 0.000 0.809 69 L CB 1.865 43.955 42.059 0.051 0.000 1.280 69 L HN 0.670 nan 8.230 nan 0.000 0.447 70 S N -0.067 115.676 115.700 0.071 0.000 2.645 70 S HA 0.347 4.816 4.470 -0.000 0.000 0.266 70 S C 0.961 175.601 174.600 0.067 0.000 1.258 70 S CA -0.764 57.478 58.200 0.070 0.000 0.990 70 S CB 0.925 64.164 63.200 0.065 0.000 0.967 70 S HN 0.569 nan 8.310 nan 0.000 0.556 71 L N 0.601 121.864 121.223 0.067 0.000 2.093 71 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 71 L C 2.997 179.904 176.870 0.061 0.000 1.085 71 L CA 1.383 56.261 54.840 0.064 0.000 0.755 71 L CB -1.056 41.041 42.059 0.062 0.000 0.904 71 L HN 0.938 nan 8.230 nan 0.000 0.435 72 A N 0.094 122.950 122.820 0.060 0.000 1.933 72 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 72 A C 2.053 179.677 177.584 0.068 0.000 1.175 72 A CA 1.449 53.522 52.037 0.061 0.000 0.628 72 A CB -0.395 18.639 19.000 0.056 0.000 0.814 72 A HN 0.459 nan 8.150 nan 0.000 0.444 73 E N -0.492 119.750 120.200 0.070 0.000 2.472 73 E HA -0.093 4.257 4.350 -0.000 0.000 0.200 73 E C 1.574 178.217 176.600 0.071 0.000 1.046 73 E CA 1.192 57.639 56.400 0.079 0.000 0.871 73 E CB -0.196 29.552 29.700 0.079 0.000 0.806 73 E HN 0.845 nan 8.360 nan 0.000 0.533 74 T N -2.282 112.307 114.554 0.059 0.000 3.069 74 T HA 0.081 4.431 4.350 -0.000 0.000 0.252 74 T C 0.447 175.178 174.700 0.052 0.000 1.053 74 T CA -0.374 61.751 62.100 0.040 0.000 0.964 74 T CB 0.084 68.971 68.868 0.030 0.000 1.005 74 T HN -0.057 nan 8.240 nan 0.000 0.532 75 E N 2.207 122.450 120.200 0.072 0.000 2.502 75 E HA 0.034 4.384 4.350 -0.000 0.000 0.261 75 E C 0.189 176.855 176.600 0.109 0.000 0.974 75 E CA 0.084 56.535 56.400 0.085 0.000 0.936 75 E CB 0.236 29.985 29.700 0.082 0.000 0.926 75 E HN 0.280 nan 8.360 nan 0.000 0.459 76 E N 1.585 121.865 120.200 0.132 0.000 4.028 76 E HA -0.225 4.125 4.350 -0.000 0.000 0.343 76 E C 0.440 177.191 176.600 0.251 0.000 0.700 76 E CA 0.927 57.445 56.400 0.196 0.000 1.288 76 E CB -0.621 29.191 29.700 0.187 0.000 1.677 76 E HN 0.514 nan 8.360 nan 0.000 0.424 77 R N -0.253 120.295 120.500 0.080 0.000 2.549 77 R HA 0.274 4.614 4.340 -0.000 0.000 0.344 77 R C 1.651 177.716 176.300 -0.392 0.000 0.979 77 R CA -0.123 55.848 56.100 -0.215 0.000 1.140 77 R CB 0.263 30.484 30.300 -0.132 0.000 1.377 77 R HN 0.110 nan 8.270 nan 0.000 0.541 78 R N 0.588 121.021 120.500 -0.113 0.000 2.189 78 R HA -0.124 4.216 4.340 -0.000 0.000 0.223 78 R C 1.659 177.924 176.300 -0.058 0.000 1.092 78 R CA 1.441 57.505 56.100 -0.060 0.000 0.989 78 R CB -0.327 30.005 30.300 0.053 0.000 0.876 78 R HN 0.301 nan 8.270 nan 0.000 0.457 79 Y N -0.552 119.790 120.300 0.071 0.000 2.193 79 Y HA -0.194 4.356 4.550 -0.000 0.000 0.285 79 Y C 1.949 177.874 175.900 0.041 0.000 1.166 79 Y CA 0.710 58.846 58.100 0.059 0.000 1.181 79 Y CB -0.617 37.885 38.460 0.069 0.000 0.976 79 Y HN -0.098 nan 8.280 nan 0.000 0.520 80 I N 0.404 120.765 120.570 -0.349 0.000 2.439 80 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 80 I C 1.981 178.053 176.117 -0.075 0.000 1.139 80 I CA 0.998 62.210 61.300 -0.146 0.000 1.438 80 I CB -0.321 37.509 38.000 -0.283 0.000 1.085 80 I HN 0.321 nan 8.210 nan 0.000 0.427 81 L N -0.506 120.667 121.223 -0.084 0.000 2.131 81 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 81 L C 1.957 178.848 176.870 0.035 0.000 1.087 81 L CA 0.962 55.788 54.840 -0.024 0.000 0.767 81 L CB -0.591 41.459 42.059 -0.015 0.000 0.917 81 L HN 0.192 nan 8.230 nan 0.000 0.441 82 E N -0.109 120.127 120.200 0.060 0.000 2.481 82 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 82 E C 0.010 176.649 176.600 0.066 0.000 1.047 82 E CA -0.208 56.257 56.400 0.108 0.000 0.867 82 E CB 0.237 30.015 29.700 0.130 0.000 0.858 82 E HN 0.180 nan 8.360 nan 0.000 0.513 83 R N 0.832 121.342 120.500 0.017 0.000 3.651 83 R HA -0.174 4.166 4.340 -0.000 0.000 0.292 83 R C -0.329 175.944 176.300 -0.044 0.000 1.161 83 R CA 0.733 56.795 56.100 -0.062 0.000 0.787 83 R CB -2.560 27.585 30.300 -0.258 0.000 1.249 83 R HN 0.258 nan 8.270 nan 0.000 0.476 84 E N 2.728 122.953 120.200 0.043 0.000 2.415 84 E HA 0.074 4.424 4.350 -0.000 0.000 0.260 84 E C -0.782 175.826 176.600 0.014 0.000 1.016 84 E CA -1.193 55.230 56.400 0.039 0.000 0.924 84 E CB 0.699 30.466 29.700 0.111 0.000 0.961 84 E HN 0.118 nan 8.360 nan 0.000 0.459 85 P HA -0.067 nan 4.420 nan 0.000 0.222 85 P C -0.185 177.087 177.300 -0.047 0.000 1.153 85 P CA 0.355 63.419 63.100 -0.058 0.000 0.798 85 P CB 0.364 32.003 31.700 -0.102 0.000 0.796 86 V N 1.079 120.977 119.914 -0.028 0.000 2.258 86 V HA 0.569 4.689 4.120 -0.000 0.000 0.258 86 V C 0.497 176.591 176.094 -0.000 0.000 1.121 86 V CA -0.243 62.053 62.300 -0.007 0.000 0.942 86 V CB -0.247 31.581 31.823 0.008 0.000 1.170 86 V HN 0.224 nan 8.190 nan 0.000 0.487 87 A N 4.264 127.069 122.820 -0.025 0.000 2.593 87 A HA 0.885 5.205 4.320 -0.000 0.000 0.290 87 A C -1.870 175.673 177.584 -0.068 0.000 1.126 87 A CA -0.625 51.339 52.037 -0.121 0.000 0.695 87 A CB 2.195 21.036 19.000 -0.265 0.000 1.290 87 A HN 0.672 nan 8.150 nan 0.000 0.414 88 W N 1.976 123.032 121.300 -0.406 0.000 2.900 88 W HA 0.532 5.192 4.660 0.000 0.000 0.336 88 W C -2.213 174.108 176.519 -0.330 0.000 1.064 88 W CA -0.187 56.999 57.345 -0.265 0.000 1.237 88 W CB 1.732 31.099 29.460 -0.154 0.000 1.391 88 W HN 0.828 nan 8.180 nan 0.000 0.468 89 D N 4.634 124.748 120.400 -0.478 0.000 2.502 89 D HA 0.330 4.970 4.640 -0.000 0.000 0.249 89 D C -0.911 175.246 176.300 -0.238 0.000 1.092 89 D CA 0.164 54.066 54.000 -0.165 0.000 0.839 89 D CB 2.079 42.899 40.800 0.033 0.000 1.264 89 D HN 0.575 nan 8.370 nan 0.000 0.511 90 E N 1.447 121.667 120.200 0.034 0.000 2.437 90 E HA 0.604 4.953 4.350 -0.000 0.000 0.280 90 E C -0.756 175.798 176.600 -0.077 0.000 1.044 90 E CA -1.269 55.123 56.400 -0.014 0.000 0.826 90 E CB 0.745 30.496 29.700 0.084 0.000 1.358 90 E HN 0.283 nan 8.360 nan 0.000 0.459 91 G N 0.036 108.596 108.800 -0.401 0.000 2.557 91 G HA2 0.451 4.411 3.960 -0.000 0.000 0.302 91 G HA3 0.451 4.411 3.960 -0.000 0.000 0.302 91 G C -1.549 173.098 174.900 -0.422 0.000 1.311 91 G CA -1.325 43.145 45.100 -1.050 0.000 1.030 91 G HN 0.488 nan 8.290 nan 0.000 0.509 92 P HA 0.027 nan 4.420 nan 0.000 0.223 92 P C -0.343 176.897 177.300 -0.100 0.000 1.151 92 P CA 1.215 64.271 63.100 -0.073 0.000 0.787 92 P CB 0.105 31.866 31.700 0.101 0.000 0.788 93 D N -4.088 116.196 120.400 -0.193 0.000 2.615 93 D HA 0.112 4.752 4.640 -0.000 0.000 0.267 93 D C 0.600 176.799 176.300 -0.167 0.000 1.236 93 D CA -0.683 53.224 54.000 -0.155 0.000 0.839 93 D CB -0.163 40.536 40.800 -0.168 0.000 1.380 93 D HN -0.409 nan 8.370 nan 0.000 0.433 94 T N -0.462 114.023 114.554 -0.115 0.000 2.699 94 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 94 T C 1.718 176.350 174.700 -0.113 0.000 1.036 94 T CA 2.222 64.266 62.100 -0.094 0.000 1.147 94 T CB -0.389 68.441 68.868 -0.062 0.000 0.862 94 T HN 0.502 nan 8.240 nan 0.000 0.446 95 S N 0.541 116.155 115.700 -0.143 0.000 2.359 95 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 95 S C 2.095 176.599 174.600 -0.160 0.000 1.035 95 S CA 1.182 59.292 58.200 -0.151 0.000 1.018 95 S CB -0.314 62.769 63.200 -0.195 0.000 0.876 95 S HN 0.225 nan 8.310 nan 0.000 0.448 96 M N 0.968 120.421 119.600 -0.244 0.000 2.254 96 M HA 0.006 4.486 4.480 -0.000 0.000 0.265 96 M C 2.285 178.526 176.300 -0.099 0.000 1.066 96 M CA 1.335 56.524 55.300 -0.185 0.000 1.123 96 M CB -2.175 30.230 32.600 -0.325 0.000 1.388 96 M HN 0.332 nan 8.290 nan 0.000 0.425 97 T N 0.744 115.186 114.554 -0.187 0.000 2.708 97 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 97 T C 1.952 176.631 174.700 -0.035 0.000 1.037 97 T CA 1.288 63.312 62.100 -0.127 0.000 1.146 97 T CB -0.124 68.661 68.868 -0.139 0.000 0.865 97 T HN 0.458 nan 8.240 nan 0.000 0.435 98 Q N 0.193 119.969 119.800 -0.039 0.000 2.079 98 Q HA -0.056 4.284 4.340 -0.000 0.000 0.200 98 Q C 2.580 178.602 176.000 0.037 0.000 0.974 98 Q CA 1.385 57.182 55.803 -0.010 0.000 0.840 98 Q CB -0.260 28.471 28.738 -0.011 0.000 0.898 98 Q HN 0.444 nan 8.270 nan 0.000 0.430 99 T N -0.364 114.226 114.554 0.059 0.000 2.812 99 T HA -0.076 4.274 4.350 -0.000 0.000 0.264 99 T C 1.736 176.527 174.700 0.153 0.000 1.042 99 T CA 0.943 63.132 62.100 0.147 0.000 1.140 99 T CB 0.026 68.951 68.868 0.095 0.000 0.870 99 T HN 0.316 nan 8.240 nan 0.000 0.445 100 C N 0.691 120.075 119.300 0.139 0.000 3.336 100 C HA 0.516 4.976 4.460 -0.000 0.000 0.291 100 C C 2.181 177.222 174.990 0.084 0.000 1.363 100 C CA -0.665 58.434 59.018 0.136 0.000 1.737 100 C CB -0.345 27.532 27.740 0.228 0.000 2.274 100 C HN 0.633 nan 8.230 nan 0.000 0.663 101 G N 0.918 109.777 108.800 0.098 0.000 3.735 101 G HA2 0.118 4.078 3.960 -0.000 0.000 0.283 101 G HA3 0.118 4.078 3.960 -0.000 0.000 0.283 101 G C 1.323 176.190 174.900 -0.055 0.000 1.007 101 G CA -0.159 44.978 45.100 0.062 0.000 0.821 101 G HN 0.633 nan 8.290 nan 0.000 0.505 102 R N -1.346 119.097 120.500 -0.096 0.000 2.246 102 R HA 0.224 4.564 4.340 -0.000 0.000 0.199 102 R C 1.411 177.629 176.300 -0.138 0.000 0.984 102 R CA 0.712 56.751 56.100 -0.101 0.000 1.015 102 R CB -0.507 29.750 30.300 -0.070 0.000 0.930 102 R HN 0.216 nan 8.270 nan 0.000 0.475 103 C N 0.135 119.302 119.300 -0.221 0.000 2.508 103 C HA 0.273 4.733 4.460 -0.000 0.000 0.303 103 C C 0.895 175.804 174.990 -0.135 0.000 1.496 103 C CA 0.140 59.036 59.018 -0.203 0.000 2.041 103 C CB -0.300 27.284 27.740 -0.260 0.000 2.011 103 C HN 0.653 nan 8.230 nan 0.000 0.655 104 H N 0.771 119.839 119.070 -0.003 0.000 2.693 104 H HA 0.606 5.162 4.556 -0.000 0.000 0.348 104 H C 0.196 175.542 175.328 0.031 0.000 1.222 104 H CA -0.243 55.810 56.048 0.008 0.000 1.270 104 H CB -0.083 29.691 29.762 0.020 0.000 1.798 104 H HN 0.257 nan 8.280 nan 0.000 0.592 105 S N -0.309 115.567 115.700 0.295 0.000 2.566 105 S HA -0.117 4.353 4.470 -0.000 0.000 0.280 105 S C 0.628 175.422 174.600 0.323 0.000 1.343 105 S CA -0.316 58.028 58.200 0.241 0.000 1.036 105 S CB 0.084 63.402 63.200 0.198 0.000 0.866 105 S HN 0.749 nan 8.310 nan 0.000 0.526 106 Y N 2.309 122.705 120.300 0.159 0.000 2.457 106 Y HA 0.155 4.705 4.550 -0.000 0.000 0.292 106 Y C 2.364 178.335 175.900 0.118 0.000 1.125 106 Y CA 1.003 59.189 58.100 0.144 0.000 1.254 106 Y CB -0.873 37.651 38.460 0.106 0.000 1.012 106 Y HN 0.882 nan 8.280 nan 0.000 0.555 107 A N 0.673 123.592 122.820 0.165 0.000 1.978 107 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 107 A C 2.345 179.852 177.584 -0.128 0.000 1.170 107 A CA 1.829 53.872 52.037 0.010 0.000 0.636 107 A CB -0.794 18.154 19.000 -0.088 0.000 0.810 107 A HN 0.540 nan 8.150 nan 0.000 0.448 108 R N -0.445 119.990 120.500 -0.108 0.000 2.127 108 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 108 R C 1.784 177.949 176.300 -0.224 0.000 1.134 108 R CA 1.784 57.770 56.100 -0.191 0.000 0.975 108 R CB -0.294 29.819 30.300 -0.312 0.000 0.865 108 R HN 0.367 nan 8.270 nan 0.000 0.447 109 V N 0.426 120.161 119.914 -0.298 0.000 2.302 109 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 109 V C 2.358 178.130 176.094 -0.537 0.000 1.036 109 V CA 1.685 63.751 62.300 -0.391 0.000 1.020 109 V CB -0.631 30.750 31.823 -0.737 0.000 0.657 109 V HN 0.479 nan 8.190 nan 0.000 0.453 110 A N -0.424 122.045 122.820 -0.585 0.000 2.125 110 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 110 A C 1.837 179.288 177.584 -0.221 0.000 1.156 110 A CA 1.220 53.002 52.037 -0.425 0.000 0.671 110 A CB -0.545 18.453 19.000 -0.002 0.000 0.794 110 A HN 0.536 nan 8.150 nan 0.000 0.459 111 L N -0.289 120.818 121.223 -0.194 0.000 2.783 111 L HA 0.183 4.523 4.340 -0.000 0.000 0.236 111 L C 0.050 176.838 176.870 -0.135 0.000 1.225 111 L CA -0.047 54.717 54.840 -0.127 0.000 1.026 111 L CB -0.212 41.765 42.059 -0.136 0.000 1.314 111 L HN 0.436 nan 8.230 nan 0.000 0.489 112 Q N 0.406 120.135 119.800 -0.118 0.000 2.421 112 Q HA 0.581 4.921 4.340 -0.000 0.000 0.280 112 Q C -0.943 175.109 176.000 0.087 0.000 1.085 112 Q CA -0.973 54.772 55.803 -0.096 0.000 0.807 112 Q CB 3.212 31.853 28.738 -0.163 0.000 1.405 112 Q HN 0.064 nan 8.270 nan 0.000 0.419 113 R N 1.546 122.064 120.500 0.030 0.000 2.574 113 R HA 0.606 4.946 4.340 -0.000 0.000 0.288 113 R C -0.738 175.533 176.300 -0.048 0.000 1.004 113 R CA -0.454 55.746 56.100 0.168 0.000 0.895 113 R CB 2.202 32.589 30.300 0.144 0.000 1.191 113 R HN 0.681 nan 8.270 nan 0.000 0.444 114 R N -0.255 120.216 120.500 -0.048 0.000 2.781 114 R HA 0.398 4.738 4.340 -0.000 0.000 0.269 114 R C -0.236 176.035 176.300 -0.050 0.000 1.025 114 R CA -0.930 54.974 56.100 -0.326 0.000 0.914 114 R CB 1.697 31.338 30.300 -1.099 0.000 1.236 114 R HN 0.713 nan 8.270 nan 0.000 0.465 115 T N -1.693 112.837 114.554 -0.041 0.000 2.828 115 T HA 0.168 4.518 4.350 -0.000 0.000 0.290 115 T C -1.927 172.860 174.700 0.145 0.000 1.019 115 T CA -1.356 60.786 62.100 0.070 0.000 1.031 115 T CB 0.985 69.883 68.868 0.051 0.000 1.001 115 T HN 0.170 nan 8.240 nan 0.000 0.531 116 P HA -0.087 nan 4.420 nan 0.000 0.215 116 P C 1.502 178.879 177.300 0.127 0.000 1.153 116 P CA 1.061 64.274 63.100 0.188 0.000 0.853 116 P CB 0.073 31.832 31.700 0.098 0.000 0.788 117 E N -0.408 119.812 120.200 0.034 0.000 2.110 117 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 117 E C 1.567 178.071 176.600 -0.160 0.000 0.988 117 E CA 1.337 57.683 56.400 -0.089 0.000 0.804 117 E CB -0.414 29.233 29.700 -0.088 0.000 0.745 117 E HN 0.136 nan 8.360 nan 0.000 0.458 118 D N -0.906 119.483 120.400 -0.018 0.000 2.144 118 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 118 D C 1.355 177.687 176.300 0.053 0.000 0.978 118 D CA 1.019 55.036 54.000 0.029 0.000 0.833 118 D CB -0.076 40.702 40.800 -0.038 0.000 0.961 118 D HN 0.306 nan 8.370 nan 0.000 0.470 119 W N 1.122 122.471 121.300 0.082 0.000 2.363 119 W HA -0.065 4.595 4.660 -0.000 0.000 0.296 119 W C 2.412 179.003 176.519 0.121 0.000 1.212 119 W CA 0.514 57.924 57.345 0.109 0.000 1.260 119 W CB 0.023 29.538 29.460 0.093 0.000 1.131 119 W HN -0.098 nan 8.180 nan 0.000 0.530 120 K N -0.346 120.216 120.400 0.270 0.000 2.026 120 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 120 K C 1.795 178.555 176.600 0.267 0.000 1.048 120 K CA 1.598 57.993 56.287 0.180 0.000 0.929 120 K CB -0.458 32.050 32.500 0.014 0.000 0.713 120 K HN 0.165 nan 8.250 nan 0.000 0.439 121 H N 0.617 119.837 119.070 0.250 0.000 2.387 121 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 121 H C 2.042 177.570 175.328 0.334 0.000 1.090 121 H CA 1.318 57.516 56.048 0.249 0.000 1.332 121 H CB -0.286 29.579 29.762 0.172 0.000 1.386 121 H HN 0.190 nan 8.280 nan 0.000 0.516 122 L N 0.465 121.966 121.223 0.462 0.000 2.046 122 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 122 L C 2.305 179.611 176.870 0.726 0.000 1.077 122 L CA 1.128 56.289 54.840 0.536 0.000 0.747 122 L CB -0.652 41.672 42.059 0.442 0.000 0.896 122 L HN -0.021 nan 8.230 nan 0.000 0.432 123 V N 0.108 120.371 119.914 0.581 0.000 2.427 123 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 123 V C 2.386 178.862 176.094 0.637 0.000 1.051 123 V CA 1.854 64.496 62.300 0.570 0.000 1.048 123 V CB -0.901 31.177 31.823 0.425 0.000 0.666 123 V HN 0.537 nan 8.190 nan 0.000 0.456 124 N N -0.268 118.774 118.700 0.570 0.000 2.188 124 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 124 N C 1.865 177.586 175.510 0.352 0.000 1.018 124 N CA 1.608 54.938 53.050 0.467 0.000 0.858 124 N CB -0.191 38.561 38.487 0.442 0.000 0.989 124 N HN 0.557 nan 8.380 nan 0.000 0.426 125 F N 2.091 122.227 119.950 0.311 0.000 2.095 125 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 125 F C 2.145 178.032 175.800 0.145 0.000 1.104 125 F CA 1.680 59.790 58.000 0.184 0.000 1.232 125 F CB -0.667 38.439 39.000 0.176 0.000 0.987 125 F HN 0.049 nan 8.300 nan 0.000 0.475 126 H N -0.299 118.710 119.070 -0.101 0.000 2.290 126 H HA -0.141 4.415 4.556 0.000 0.000 0.298 126 H C 2.014 177.279 175.328 -0.105 0.000 1.087 126 H CA 2.174 58.163 56.048 -0.099 0.000 1.291 126 H CB -0.739 29.196 29.762 0.287 0.000 1.369 126 H HN 0.333 nan 8.280 nan 0.000 0.492 127 L N 0.230 121.527 121.223 0.124 0.000 2.217 127 L HA 0.045 4.385 4.340 -0.000 0.000 0.211 127 L C 2.299 179.078 176.870 -0.152 0.000 1.107 127 L CA 1.609 56.421 54.840 -0.047 0.000 0.783 127 L CB -0.763 41.282 42.059 -0.024 0.000 0.919 127 L HN 0.336 nan 8.230 nan 0.000 0.442 128 G N -1.576 107.122 108.800 -0.170 0.000 2.408 128 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.215 128 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.215 128 G C 1.492 176.200 174.900 -0.321 0.000 1.156 128 G CA 0.641 45.625 45.100 -0.193 0.000 0.793 128 G HN 0.420 nan 8.290 nan 0.000 0.535 129 Q N -0.321 119.109 119.800 -0.617 0.000 2.250 129 Q HA 0.208 4.548 4.340 -0.000 0.000 0.200 129 Q C 0.063 175.446 176.000 -1.029 0.000 0.941 129 Q CA 0.488 55.726 55.803 -0.942 0.000 0.872 129 Q CB -0.044 27.730 28.738 -1.607 0.000 0.965 129 Q HN 0.432 nan 8.270 nan 0.000 0.480 130 F N 1.023 120.801 119.950 -0.287 0.000 2.449 130 F HA 0.367 4.893 4.527 -0.000 0.000 0.329 130 F C -1.704 173.986 175.800 -0.183 0.000 1.245 130 F CA -2.007 55.869 58.000 -0.207 0.000 1.193 130 F CB 1.482 40.364 39.000 -0.197 0.000 1.425 130 F HN 0.048 nan 8.300 nan 0.000 0.544 131 P HA -0.185 nan 4.420 nan 0.000 0.219 131 P C 1.437 178.741 177.300 0.006 0.000 1.146 131 P CA 1.558 64.622 63.100 -0.060 0.000 0.808 131 P CB -0.135 31.515 31.700 -0.083 0.000 0.779 132 T N -2.751 111.794 114.554 -0.015 0.000 3.148 132 T HA 0.016 4.366 4.350 -0.000 0.000 0.253 132 T C 1.720 176.457 174.700 0.062 0.000 1.134 132 T CA 0.262 62.369 62.100 0.011 0.000 1.051 132 T CB -1.155 67.648 68.868 -0.109 0.000 0.959 132 T HN 0.035 nan 8.240 nan 0.000 0.525 133 L N 1.681 122.869 121.223 -0.058 0.000 2.079 133 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 133 L C 2.159 178.818 176.870 -0.353 0.000 1.081 133 L CA 2.133 56.840 54.840 -0.223 0.000 0.752 133 L CB -1.399 40.466 42.059 -0.324 0.000 0.896 133 L HN 0.498 nan 8.230 nan 0.000 0.433 134 E N -1.984 118.012 120.200 -0.341 0.000 2.511 134 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 134 E C 1.100 177.557 176.600 -0.239 0.000 1.066 134 E CA 0.692 56.883 56.400 -0.349 0.000 0.871 134 E CB -0.475 29.093 29.700 -0.221 0.000 0.863 134 E HN 0.675 nan 8.360 nan 0.000 0.520 135 Y N 1.256 121.478 120.300 -0.130 0.000 2.442 135 Y HA 0.205 4.755 4.550 0.000 0.000 0.250 135 Y C 0.865 176.725 175.900 -0.068 0.000 1.113 135 Y CA -0.260 57.797 58.100 -0.071 0.000 1.273 135 Y CB 0.481 38.903 38.460 -0.064 0.000 1.138 135 Y HN -0.021 nan 8.280 nan 0.000 0.522 136 Q N 0.541 120.365 119.800 0.041 0.000 2.382 136 Q HA 0.485 4.825 4.340 -0.000 0.000 0.229 136 Q C 0.209 176.201 176.000 -0.013 0.000 1.006 136 Q CA -0.438 55.363 55.803 -0.003 0.000 0.916 136 Q CB 0.732 29.441 28.738 -0.049 0.000 1.235 136 Q HN 0.280 nan 8.270 nan 0.000 0.512 137 A N 1.133 123.945 122.820 -0.014 0.000 2.565 137 A HA 0.158 4.478 4.320 -0.000 0.000 0.237 137 A C 0.117 177.697 177.584 -0.007 0.000 1.053 137 A CA -0.095 51.936 52.037 -0.010 0.000 0.755 137 A CB -0.083 18.905 19.000 -0.019 0.000 0.980 137 A HN 0.709 nan 8.150 nan 0.000 0.506 138 L N -0.338 120.891 121.223 0.010 0.000 4.892 138 L HA -0.261 4.079 4.340 -0.000 0.000 0.403 138 L C 1.462 178.382 176.870 0.084 0.000 0.913 138 L CA 2.140 56.999 54.840 0.031 0.000 1.653 138 L CB -1.984 40.085 42.059 0.016 0.000 1.780 138 L HN 1.194 nan 8.230 nan 0.000 0.597 139 A N -0.609 122.251 122.820 0.067 0.000 1.933 139 A HA 0.260 4.580 4.320 -0.000 0.000 0.198 139 A C 1.802 179.435 177.584 0.082 0.000 1.617 139 A CA 0.413 52.525 52.037 0.124 0.000 1.039 139 A CB 0.017 18.970 19.000 -0.078 0.000 1.066 139 A HN 0.428 nan 8.150 nan 0.000 0.484 140 R N 1.072 121.578 120.500 0.010 0.000 2.316 140 R HA -0.029 4.311 4.340 -0.000 0.000 0.202 140 R C 0.443 176.747 176.300 0.006 0.000 1.029 140 R CA 1.314 57.401 56.100 -0.023 0.000 1.018 140 R CB -0.433 29.850 30.300 -0.028 0.000 0.888 140 R HN 0.427 nan 8.270 nan 0.000 0.471 141 D N 1.396 121.814 120.400 0.030 0.000 2.328 141 D HA -0.045 4.595 4.640 -0.000 0.000 0.226 141 D C 0.276 176.596 176.300 0.034 0.000 1.066 141 D CA -0.093 53.922 54.000 0.026 0.000 0.861 141 D CB 0.083 40.897 40.800 0.023 0.000 0.912 141 D HN 0.522 nan 8.370 nan 0.000 0.521 142 R N -1.436 119.098 120.500 0.057 0.000 2.747 142 R HA 0.295 4.635 4.340 -0.000 0.000 0.272 142 R C -1.588 174.764 176.300 0.086 0.000 1.032 142 R CA -0.810 55.324 56.100 0.057 0.000 0.896 142 R CB -0.029 30.304 30.300 0.055 0.000 1.253 142 R HN -0.226 nan 8.270 nan 0.000 0.461 143 D N 0.770 121.207 120.400 0.062 0.000 2.508 143 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 143 D C 0.451 176.820 176.300 0.115 0.000 1.171 143 D CA -0.438 53.614 54.000 0.085 0.000 1.006 143 D CB -0.204 40.618 40.800 0.038 0.000 1.073 143 D HN 0.514 nan 8.370 nan 0.000 0.513 144 W N 3.830 125.162 121.300 0.054 0.000 2.317 144 W HA -0.164 4.496 4.660 0.000 0.000 0.318 144 W C 1.993 178.625 176.519 0.187 0.000 1.227 144 W CA 1.232 58.632 57.345 0.091 0.000 1.269 144 W CB -0.479 29.031 29.460 0.084 0.000 1.155 144 W HN 0.563 nan 8.180 nan 0.000 0.484 145 W N 0.836 122.278 121.300 0.236 0.000 2.358 145 W HA -0.126 4.534 4.660 0.000 0.000 0.303 145 W C 2.088 178.564 176.519 -0.070 0.000 1.208 145 W CA 1.509 58.924 57.345 0.115 0.000 1.274 145 W CB -0.744 28.849 29.460 0.222 0.000 1.138 145 W HN 0.020 nan 8.180 nan 0.000 0.515 146 G N 1.086 109.843 108.800 -0.071 0.000 2.421 146 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 146 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 146 G C 1.448 176.179 174.900 -0.282 0.000 1.171 146 G CA 1.288 46.256 45.100 -0.221 0.000 0.775 146 G HN 0.289 nan 8.290 nan 0.000 0.543 147 I N 1.311 121.729 120.570 -0.253 0.000 2.315 147 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 147 I C 3.254 179.137 176.117 -0.389 0.000 1.117 147 I CA 0.747 61.879 61.300 -0.281 0.000 1.404 147 I CB -0.154 37.694 38.000 -0.252 0.000 1.071 147 I HN 0.245 nan 8.210 nan 0.000 0.419 148 A N 0.418 122.895 122.820 -0.573 0.000 1.902 148 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 148 A C 2.255 179.581 177.584 -0.430 0.000 1.181 148 A CA 1.641 53.312 52.037 -0.610 0.000 0.623 148 A CB -0.557 17.936 19.000 -0.845 0.000 0.818 148 A HN 0.456 nan 8.150 nan 0.000 0.443 149 Q N -0.964 118.514 119.800 -0.535 0.000 2.083 149 Q HA 0.013 4.353 4.340 -0.000 0.000 0.198 149 Q C 2.337 178.173 176.000 -0.273 0.000 0.969 149 Q CA 1.355 56.886 55.803 -0.455 0.000 0.838 149 Q CB -0.280 28.085 28.738 -0.622 0.000 0.900 149 Q HN 0.668 nan 8.270 nan 0.000 0.436 150 A N 0.204 122.874 122.820 -0.251 0.000 2.021 150 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 150 A C 1.647 179.155 177.584 -0.127 0.000 1.163 150 A CA 0.914 52.852 52.037 -0.165 0.000 0.676 150 A CB 0.219 19.130 19.000 -0.148 0.000 0.818 150 A HN 0.129 nan 8.150 nan 0.000 0.453 151 E N -0.881 119.231 120.200 -0.146 0.000 2.444 151 E HA 0.119 4.469 4.350 -0.000 0.000 0.203 151 E C 1.887 178.446 176.600 -0.068 0.000 0.847 151 E CA 0.123 56.463 56.400 -0.100 0.000 1.142 151 E CB -0.201 29.426 29.700 -0.122 0.000 1.125 151 E HN 0.393 nan 8.360 nan 0.000 0.521 152 I N 1.948 122.439 120.570 -0.132 0.000 2.163 152 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 152 I C 2.651 178.755 176.117 -0.021 0.000 1.081 152 I CA 1.137 62.386 61.300 -0.086 0.000 1.353 152 I CB -1.130 36.766 38.000 -0.174 0.000 1.054 152 I HN 0.036 nan 8.210 nan 0.000 0.407 153 I N 1.070 121.605 120.570 -0.057 0.000 2.163 153 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 153 I C -0.303 175.802 176.117 -0.020 0.000 1.085 153 I CA 1.760 63.055 61.300 -0.009 0.000 1.347 153 I CB -1.730 36.269 38.000 -0.003 0.000 1.044 153 I HN 0.153 nan 8.210 nan 0.000 0.408 154 P HA -0.183 nan 4.420 nan 0.000 0.218 154 P C 1.668 178.936 177.300 -0.054 0.000 1.149 154 P CA 1.315 64.397 63.100 -0.031 0.000 0.817 154 P CB -0.074 31.608 31.700 -0.029 0.000 0.785 155 F N 0.196 120.061 119.950 -0.142 0.000 2.113 155 F HA -0.145 4.382 4.527 -0.000 0.000 0.297 155 F C 1.915 177.569 175.800 -0.243 0.000 1.103 155 F CA 1.450 59.354 58.000 -0.161 0.000 1.248 155 F CB -0.839 38.083 39.000 -0.129 0.000 0.999 155 F HN -0.268 nan 8.300 nan 0.000 0.475 156 L N -0.024 121.071 121.223 -0.215 0.000 2.046 156 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 156 L C 2.830 179.264 176.870 -0.726 0.000 1.077 156 L CA 1.219 55.683 54.840 -0.627 0.000 0.747 156 L CB -1.276 40.179 42.059 -1.008 0.000 0.896 156 L HN 0.248 nan 8.230 nan 0.000 0.432 157 A N 0.131 122.734 122.820 -0.363 0.000 1.877 157 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 157 A C 2.466 179.998 177.584 -0.088 0.000 1.186 157 A CA 1.967 53.995 52.037 -0.015 0.000 0.620 157 A CB -0.602 18.437 19.000 0.066 0.000 0.822 157 A HN 0.390 nan 8.150 nan 0.000 0.443 158 R N -1.062 119.299 120.500 -0.232 0.000 2.090 158 R HA -0.078 4.262 4.340 -0.000 0.000 0.228 158 R C 1.779 177.841 176.300 -0.397 0.000 1.110 158 R CA 1.874 57.816 56.100 -0.263 0.000 0.973 158 R CB -0.382 29.754 30.300 -0.274 0.000 0.869 158 R HN 0.468 nan 8.270 nan 0.000 0.440 159 T N -0.676 113.458 114.554 -0.700 0.000 2.978 159 T HA -0.005 4.345 4.350 -0.000 0.000 0.262 159 T C -0.079 174.090 174.700 -0.886 0.000 1.063 159 T CA 0.871 62.390 62.100 -0.968 0.000 1.140 159 T CB 0.032 67.925 68.868 -1.626 0.000 0.886 159 T HN 0.273 nan 8.240 nan 0.000 0.470 160 Y N 2.080 122.313 120.300 -0.111 0.000 2.495 160 Y HA 0.331 4.881 4.550 0.000 0.000 0.362 160 Y C -2.592 173.491 175.900 0.305 0.000 0.956 160 Y CA -3.055 55.123 58.100 0.132 0.000 1.127 160 Y CB 0.522 39.142 38.460 0.267 0.000 1.173 160 Y HN 0.059 nan 8.280 nan 0.000 0.639 161 P HA -0.034 nan 4.420 nan 0.000 0.272 161 P C 0.993 178.407 177.300 0.190 0.000 1.230 161 P CA -0.228 62.995 63.100 0.204 0.000 0.788 161 P CB 1.930 33.684 31.700 0.089 0.000 0.949 162 L N 2.680 123.990 121.223 0.144 0.000 2.013 162 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 162 L C 1.520 178.444 176.870 0.089 0.000 1.073 162 L CA 2.911 57.809 54.840 0.098 0.000 0.753 162 L CB -1.587 40.515 42.059 0.071 0.000 0.890 162 L HN 0.863 nan 8.230 nan 0.000 0.432 163 G N -0.871 107.977 108.800 0.079 0.000 2.564 163 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.273 163 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.273 163 G C -0.159 174.778 174.900 0.062 0.000 1.242 163 G CA 0.373 45.513 45.100 0.067 0.000 0.951 163 G HN 0.521 nan 8.290 nan 0.000 0.564 164 E N -0.320 119.915 120.200 0.060 0.000 2.293 164 E HA 0.580 4.930 4.350 -0.000 0.000 0.270 164 E C 0.311 176.946 176.600 0.059 0.000 0.879 164 E CA -0.395 56.039 56.400 0.056 0.000 0.756 164 E CB 1.937 31.665 29.700 0.047 0.000 1.208 164 E HN 1.025 nan 8.360 nan 0.000 0.428 165 A N 3.637 126.493 122.820 0.059 0.000 2.462 165 A HA 0.325 4.645 4.320 -0.000 0.000 0.243 165 A C -1.916 175.700 177.584 0.053 0.000 1.076 165 A CA -0.785 51.289 52.037 0.061 0.000 0.773 165 A CB -0.333 18.698 19.000 0.053 0.000 1.010 165 A HN 0.360 nan 8.150 nan 0.000 0.493 166 P HA 0.261 nan 4.420 nan 0.000 0.276 166 P C -0.970 176.362 177.300 0.053 0.000 1.252 166 P CA -0.543 62.590 63.100 0.056 0.000 0.802 166 P CB 0.616 32.355 31.700 0.064 0.000 1.035 167 D N -0.320 120.110 120.400 0.050 0.000 2.382 167 D HA 0.297 4.937 4.640 -0.000 0.000 0.245 167 D C 0.408 176.748 176.300 0.067 0.000 1.120 167 D CA 0.260 54.288 54.000 0.047 0.000 0.890 167 D CB 0.602 41.423 40.800 0.036 0.000 1.201 167 D HN 0.404 nan 8.370 nan 0.000 0.433 168 A N 2.154 125.015 122.820 0.069 0.000 2.351 168 A HA 0.136 4.456 4.320 -0.000 0.000 0.257 168 A C -0.280 177.387 177.584 0.138 0.000 1.087 168 A CA -0.406 51.696 52.037 0.109 0.000 0.798 168 A CB 0.006 19.064 19.000 0.097 0.000 1.033 168 A HN 0.557 nan 8.150 nan 0.000 0.488 169 Y N 1.269 121.611 120.300 0.070 0.000 2.810 169 Y HA 0.195 4.745 4.550 -0.000 0.000 0.332 169 Y C 0.870 176.819 175.900 0.083 0.000 1.243 169 Y CA 0.948 59.094 58.100 0.077 0.000 1.537 169 Y CB 0.465 38.987 38.460 0.103 0.000 1.265 169 Y HN 0.659 nan 8.280 nan 0.000 0.572 170 A N 4.527 127.081 122.820 -0.443 0.000 2.609 170 A HA 0.205 4.525 4.320 -0.000 0.000 0.286 170 A C -0.233 177.123 177.584 -0.381 0.000 1.138 170 A CA -0.148 51.720 52.037 -0.282 0.000 0.960 170 A CB -0.149 18.770 19.000 -0.133 0.000 1.208 170 A HN 0.723 nan 8.150 nan 0.000 0.541 171 D N -0.298 119.602 120.400 -0.833 0.000 2.569 171 D HA 0.358 4.998 4.640 -0.000 0.000 0.266 171 D C -1.224 175.074 176.300 -0.004 0.000 1.164 171 D CA -0.310 53.444 54.000 -0.408 0.000 1.071 171 D CB 1.179 41.751 40.800 -0.380 0.000 1.183 171 D HN -0.002 nan 8.370 nan 0.000 0.613 172 D N -0.410 120.099 120.400 0.183 0.000 2.414 172 D HA 0.401 5.041 4.640 -0.000 0.000 0.232 172 D C -0.291 176.274 176.300 0.440 0.000 1.070 172 D CA -0.540 53.680 54.000 0.367 0.000 0.839 172 D CB 1.422 42.358 40.800 0.225 0.000 1.079 172 D HN 0.328 nan 8.370 nan 0.000 0.521 173 A N 2.915 126.080 122.820 0.575 0.000 2.238 173 A HA 0.103 4.423 4.320 -0.000 0.000 0.208 173 A C 1.034 178.832 177.584 0.356 0.000 1.177 173 A CA -0.092 52.143 52.037 0.330 0.000 0.804 173 A CB -0.120 18.854 19.000 -0.043 0.000 0.823 173 A HN 0.450 nan 8.150 nan 0.000 0.482 174 S N -0.250 115.735 115.700 0.475 0.000 2.566 174 S HA 0.464 4.934 4.470 -0.000 0.000 0.280 174 S C 0.660 175.408 174.600 0.247 0.000 1.343 174 S CA 0.652 59.091 58.200 0.397 0.000 1.036 174 S CB 0.560 63.960 63.200 0.334 0.000 0.866 174 S HN 1.611 nan 8.310 nan 0.000 0.526 175 G N 0.066 108.996 108.800 0.216 0.000 2.347 175 G HA2 0.429 4.389 3.960 -0.000 0.000 0.341 175 G HA3 0.429 4.389 3.960 -0.000 0.000 0.341 175 G C -1.105 173.858 174.900 0.105 0.000 1.287 175 G CA -0.488 44.661 45.100 0.083 0.000 0.984 175 G HN 1.065 nan 8.290 nan 0.000 0.526 176 A N -0.480 122.328 122.820 -0.019 0.000 2.301 176 A HA 0.874 5.194 4.320 -0.000 0.000 0.312 176 A C -1.038 176.499 177.584 -0.078 0.000 1.182 176 A CA -0.322 51.738 52.037 0.038 0.000 0.826 176 A CB 0.682 19.690 19.000 0.013 0.000 1.134 176 A HN 1.193 nan 8.150 nan 0.000 0.501 177 Y N 0.432 120.728 120.300 -0.007 0.000 2.536 177 Y HA 0.540 5.090 4.550 -0.000 0.000 0.347 177 Y C 0.084 175.975 175.900 -0.015 0.000 1.000 177 Y CA -0.899 57.197 58.100 -0.005 0.000 1.051 177 Y CB 2.091 40.548 38.460 -0.006 0.000 1.259 177 Y HN 0.419 nan 8.280 nan 0.000 0.468 178 V N 4.099 124.100 119.914 0.145 0.000 2.547 178 V HA 0.593 4.713 4.120 -0.000 0.000 0.299 178 V C -0.587 175.553 176.094 0.077 0.000 1.040 178 V CA -0.607 61.739 62.300 0.077 0.000 0.913 178 V CB 1.379 33.226 31.823 0.040 0.000 0.992 178 V HN 0.611 nan 8.190 nan 0.000 0.449 179 L N 2.932 124.184 121.223 0.049 0.000 2.303 179 L HA 1.156 5.496 4.340 -0.000 0.000 0.256 179 L C -0.522 176.377 176.870 0.047 0.000 1.034 179 L CA -0.845 54.018 54.840 0.039 0.000 0.832 179 L CB 2.066 44.141 42.059 0.027 0.000 1.403 179 L HN 0.783 nan 8.230 nan 0.000 0.419 180 A N -0.744 122.096 122.820 0.033 0.000 2.594 180 A HA 0.980 5.300 4.320 -0.000 0.000 0.296 180 A C -0.407 177.091 177.584 -0.142 0.000 1.061 180 A CA 0.178 52.190 52.037 -0.041 0.000 0.689 180 A CB 1.085 20.044 19.000 -0.067 0.000 1.280 180 A HN 1.885 nan 8.150 nan 0.000 0.406 181 G N 0.324 108.831 108.800 -0.489 0.000 2.356 181 G HA2 0.719 4.678 3.960 -0.000 0.000 0.281 181 G HA3 0.719 4.678 3.960 -0.000 0.000 0.281 181 G C -1.240 173.006 174.900 -1.090 0.000 1.246 181 G CA 0.048 44.793 45.100 -0.591 0.000 0.889 181 G HN 1.703 nan 8.290 nan 0.000 0.486 182 R N -0.915 119.148 120.500 -0.729 0.000 2.692 182 R HA 0.722 5.062 4.340 -0.000 0.000 0.269 182 R C -1.558 174.813 176.300 0.118 0.000 1.030 182 R CA -0.923 54.935 56.100 -0.404 0.000 0.882 182 R CB 1.698 31.888 30.300 -0.182 0.000 1.250 182 R HN 0.629 nan 8.270 nan 0.000 0.465 183 Q N 2.249 122.273 119.800 0.372 0.000 2.357 183 Q HA 0.406 4.746 4.340 -0.000 0.000 0.266 183 Q C -2.431 173.681 176.000 0.186 0.000 1.021 183 Q CA -2.196 53.816 55.803 0.348 0.000 0.784 183 Q CB 2.127 31.240 28.738 0.626 0.000 1.243 183 Q HN 0.395 nan 8.270 nan 0.000 0.465 184 P HA 0.006 nan 4.420 nan 0.000 0.262 184 P C 0.425 177.747 177.300 0.037 0.000 1.182 184 P CA 1.495 64.619 63.100 0.039 0.000 0.761 184 P CB 0.727 32.419 31.700 -0.013 0.000 0.795 185 G N 2.786 111.613 108.800 0.046 0.000 2.258 185 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.233 185 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.233 185 G C 1.110 176.038 174.900 0.047 0.000 1.006 185 G CA 0.464 45.577 45.100 0.021 0.000 0.620 185 G HN 0.601 nan 8.290 nan 0.000 0.511 186 R N -0.037 120.517 120.500 0.090 0.000 2.215 186 R HA 0.524 4.864 4.340 -0.000 0.000 0.190 186 R C 1.238 177.654 176.300 0.192 0.000 0.968 186 R CA 1.746 57.889 56.100 0.071 0.000 1.122 186 R CB 0.527 30.791 30.300 -0.062 0.000 1.151 186 R HN 1.664 nan 8.270 nan 0.000 0.582 187 G N 0.310 109.297 108.800 0.312 0.000 2.315 187 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.296 187 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.296 187 G C -1.843 173.253 174.900 0.326 0.000 1.289 187 G CA -0.589 44.688 45.100 0.295 0.000 0.996 187 G HN 0.172 nan 8.290 nan 0.000 0.487 188 D N 0.218 120.699 120.400 0.135 0.000 2.313 188 D HA 0.581 5.221 4.640 -0.000 0.000 0.247 188 D C -0.280 175.938 176.300 -0.138 0.000 1.094 188 D CA 0.948 54.894 54.000 -0.091 0.000 0.925 188 D CB 1.276 42.013 40.800 -0.104 0.000 1.188 188 D HN 0.620 nan 8.370 nan 0.000 0.430 189 Y N -2.580 117.562 120.300 -0.262 0.000 2.625 189 Y HA 0.547 5.097 4.550 0.000 0.000 0.338 189 Y C -0.360 175.394 175.900 -0.243 0.000 1.123 189 Y CA -1.133 56.692 58.100 -0.459 0.000 1.046 189 Y CB 0.856 38.665 38.460 -1.086 0.000 1.299 189 Y HN 0.340 nan 8.280 nan 0.000 0.464 190 T N -1.361 113.231 114.554 0.064 0.000 2.807 190 T HA 1.003 5.353 4.350 -0.000 0.000 0.277 190 T C 0.035 174.776 174.700 0.067 0.000 1.006 190 T CA -0.493 61.642 62.100 0.059 0.000 1.006 190 T CB 1.597 70.471 68.868 0.009 0.000 1.274 190 T HN 2.023 nan 8.240 nan 0.000 0.569 191 G N -0.277 108.546 108.800 0.038 0.000 2.333 191 G HA2 0.492 4.452 3.960 -0.000 0.000 0.288 191 G HA3 0.492 4.452 3.960 -0.000 0.000 0.288 191 G C -2.078 172.830 174.900 0.013 0.000 1.286 191 G CA -0.978 44.127 45.100 0.008 0.000 0.865 191 G HN 0.713 nan 8.290 nan 0.000 0.506 192 R N -1.007 119.493 120.500 0.000 0.000 2.725 192 R HA 0.739 5.079 4.340 -0.000 0.000 0.277 192 R C -1.707 174.593 176.300 -0.000 0.000 0.987 192 R CA -0.835 55.276 56.100 0.018 0.000 0.901 192 R CB 1.726 32.040 30.300 0.023 0.000 1.207 192 R HN 0.759 nan 8.270 nan 0.000 0.463 193 L N 1.768 123.005 121.223 0.023 0.000 2.376 193 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 193 L C -1.376 175.529 176.870 0.058 0.000 0.987 193 L CA -0.593 54.220 54.840 -0.046 0.000 0.828 193 L CB 2.057 43.982 42.059 -0.223 0.000 1.249 193 L HN 0.315 nan 8.230 nan 0.000 0.409 194 V N 6.220 126.158 119.914 0.040 0.000 2.409 194 V HA 0.527 4.647 4.120 -0.000 0.000 0.291 194 V C -0.516 175.639 176.094 0.102 0.000 1.020 194 V CA -0.508 61.856 62.300 0.107 0.000 0.848 194 V CB 1.586 33.458 31.823 0.082 0.000 0.990 194 V HN 0.530 nan 8.190 nan 0.000 0.430 195 L N 4.806 126.132 121.223 0.170 0.000 2.329 195 L HA 0.705 5.045 4.340 -0.000 0.000 0.279 195 L C -0.259 176.787 176.870 0.293 0.000 1.014 195 L CA -0.379 54.592 54.840 0.217 0.000 0.814 195 L CB 1.757 43.902 42.059 0.144 0.000 1.257 195 L HN 0.607 nan 8.230 nan 0.000 0.424 196 K N 2.938 123.533 120.400 0.326 0.000 2.579 196 K HA 0.352 4.672 4.320 -0.000 0.000 0.250 196 K C -0.744 175.994 176.600 0.231 0.000 0.952 196 K CA -0.628 55.805 56.287 0.244 0.000 0.857 196 K CB 1.019 33.607 32.500 0.146 0.000 1.123 196 K HN 0.416 nan 8.250 nan 0.000 0.433 197 K N 2.570 123.063 120.400 0.155 0.000 2.448 197 K HA 0.379 4.699 4.320 -0.000 0.000 0.278 197 K C -1.003 175.536 176.600 -0.101 0.000 1.009 197 K CA 0.318 56.505 56.287 -0.167 0.000 0.995 197 K CB 0.496 32.877 32.500 -0.199 0.000 0.917 197 K HN 0.637 nan 8.250 nan 0.000 0.481 198 A N 4.346 127.072 122.820 -0.157 0.000 2.745 198 A HA 0.553 4.873 4.320 -0.000 0.000 0.301 198 A C 0.290 177.817 177.584 -0.096 0.000 1.188 198 A CA -0.051 51.940 52.037 -0.077 0.000 0.746 198 A CB 0.480 19.463 19.000 -0.029 0.000 1.207 198 A HN 1.101 nan 8.150 nan 0.000 0.432 199 G N 1.628 110.378 108.800 -0.084 0.000 2.561 199 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.289 199 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.289 199 G C 0.539 175.381 174.900 -0.097 0.000 1.169 199 G CA 0.532 45.590 45.100 -0.069 0.000 0.980 199 G HN 0.657 nan 8.290 nan 0.000 0.550 200 E N 2.011 122.167 120.200 -0.073 0.000 2.474 200 E HA 0.190 4.540 4.350 -0.000 0.000 0.195 200 E C 0.292 176.850 176.600 -0.069 0.000 1.039 200 E CA 0.548 56.913 56.400 -0.057 0.000 0.881 200 E CB 0.246 29.939 29.700 -0.012 0.000 0.970 200 E HN 0.528 nan 8.360 nan 0.000 0.486 201 D N -0.574 119.763 120.400 -0.104 0.000 2.592 201 D HA 0.336 4.976 4.640 -0.000 0.000 0.259 201 D C -0.484 175.728 176.300 -0.147 0.000 1.144 201 D CA -0.467 53.510 54.000 -0.040 0.000 1.080 201 D CB 0.774 41.566 40.800 -0.014 0.000 1.225 201 D HN -0.157 nan 8.370 nan 0.000 0.619 202 Y N 0.022 120.375 120.300 0.089 0.000 2.442 202 Y HA 0.245 4.795 4.550 -0.000 0.000 0.344 202 Y C 0.235 176.207 175.900 0.119 0.000 0.976 202 Y CA -0.798 57.398 58.100 0.160 0.000 1.040 202 Y CB 1.620 40.280 38.460 0.333 0.000 1.228 202 Y HN 0.020 nan 8.280 nan 0.000 0.451 203 E N 2.125 122.474 120.200 0.247 0.000 2.338 203 E HA 0.523 4.873 4.350 -0.000 0.000 0.272 203 E C -1.139 175.584 176.600 0.205 0.000 1.029 203 E CA -0.400 56.097 56.400 0.161 0.000 0.872 203 E CB 1.371 31.137 29.700 0.109 0.000 1.015 203 E HN 0.267 nan 8.360 nan 0.000 0.417 204 V N 2.443 122.449 119.914 0.152 0.000 2.841 204 V HA 0.381 4.501 4.120 -0.000 0.000 0.310 204 V C -0.440 175.699 176.094 0.075 0.000 1.090 204 V CA -0.764 61.618 62.300 0.137 0.000 0.930 204 V CB 2.465 34.412 31.823 0.207 0.000 1.014 204 V HN 0.682 nan 8.190 nan 0.000 0.425 205 T N 5.249 119.832 114.554 0.049 0.000 2.881 205 T HA 0.597 4.947 4.350 -0.000 0.000 0.290 205 T C -0.694 174.011 174.700 0.008 0.000 1.000 205 T CA -0.315 61.805 62.100 0.034 0.000 0.978 205 T CB 1.479 70.365 68.868 0.030 0.000 0.997 205 T HN 0.687 nan 8.240 nan 0.000 0.443 206 M N 2.879 122.488 119.600 0.015 0.000 2.253 206 M HA 0.529 5.009 4.480 -0.000 0.000 0.314 206 M C -1.263 175.049 176.300 0.019 0.000 1.019 206 M CA -0.322 54.960 55.300 -0.030 0.000 0.932 206 M CB 1.453 33.981 32.600 -0.120 0.000 1.606 206 M HN 0.492 nan 8.290 nan 0.000 0.430 207 T N 6.054 120.593 114.554 -0.025 0.000 2.792 207 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 207 T C -0.628 174.030 174.700 -0.071 0.000 0.990 207 T CA -0.529 61.557 62.100 -0.023 0.000 0.960 207 T CB 0.914 69.768 68.868 -0.022 0.000 0.939 207 T HN 0.596 nan 8.240 nan 0.000 0.439 208 L N 3.700 124.881 121.223 -0.071 0.000 2.287 208 L HA 0.464 4.804 4.340 -0.000 0.000 0.287 208 L C -0.388 176.445 176.870 -0.061 0.000 1.022 208 L CA -0.873 53.846 54.840 -0.201 0.000 0.814 208 L CB 1.130 43.011 42.059 -0.298 0.000 1.217 208 L HN 0.535 nan 8.230 nan 0.000 0.420 209 D N 4.213 124.554 120.400 -0.098 0.000 2.427 209 D HA 0.379 5.019 4.640 -0.000 0.000 0.226 209 D C -0.352 175.933 176.300 -0.025 0.000 1.076 209 D CA -0.025 53.980 54.000 0.008 0.000 0.849 209 D CB 1.313 42.121 40.800 0.014 0.000 1.052 209 D HN 0.067 nan 8.370 nan 0.000 0.515 210 F N 0.462 120.478 119.950 0.109 0.000 2.410 210 F HA 0.389 4.916 4.527 0.000 0.000 0.324 210 F C 1.857 177.708 175.800 0.086 0.000 1.093 210 F CA -0.911 57.170 58.000 0.134 0.000 1.028 210 F CB 0.759 39.839 39.000 0.134 0.000 1.309 210 F HN 0.319 nan 8.300 nan 0.000 0.499 211 A N 0.313 123.304 122.820 0.286 0.000 1.940 211 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 211 A C 1.745 179.412 177.584 0.138 0.000 1.176 211 A CA 2.032 54.167 52.037 0.163 0.000 0.631 211 A CB -0.894 18.185 19.000 0.132 0.000 0.814 211 A HN 0.802 nan 8.150 nan 0.000 0.446 212 D N -2.000 118.493 120.400 0.156 0.000 2.354 212 D HA 0.342 4.982 4.640 -0.000 0.000 0.209 212 D C 0.798 177.152 176.300 0.091 0.000 1.015 212 D CA 1.051 55.110 54.000 0.098 0.000 0.867 212 D CB 0.148 40.987 40.800 0.065 0.000 0.933 212 D HN 0.535 nan 8.370 nan 0.000 0.520 213 G N -1.139 107.746 108.800 0.140 0.000 2.322 213 G HA2 0.400 4.360 3.960 -0.000 0.000 0.295 213 G HA3 0.400 4.360 3.960 -0.000 0.000 0.295 213 G C -1.620 173.380 174.900 0.167 0.000 1.369 213 G CA -0.583 44.584 45.100 0.112 0.000 0.821 213 G HN 0.084 nan 8.290 nan 0.000 0.536 214 S N -1.029 114.732 115.700 0.101 0.000 2.599 214 S HA 0.912 5.382 4.470 -0.000 0.000 0.294 214 S C -0.339 174.275 174.600 0.025 0.000 1.094 214 S CA -0.808 57.448 58.200 0.094 0.000 0.931 214 S CB 2.382 65.609 63.200 0.044 0.000 1.093 214 S HN 0.836 nan 8.310 nan 0.000 0.488 215 R N 0.465 120.960 120.500 -0.007 0.000 2.594 215 R HA 0.561 4.901 4.340 -0.000 0.000 0.265 215 R C -1.755 174.395 176.300 -0.250 0.000 1.070 215 R CA -0.252 55.746 56.100 -0.169 0.000 0.909 215 R CB 1.526 31.698 30.300 -0.212 0.000 1.243 215 R HN 0.692 nan 8.270 nan 0.000 0.455 216 S N 2.752 118.216 115.700 -0.394 0.000 2.532 216 S HA 0.695 5.165 4.470 -0.000 0.000 0.301 216 S C -1.407 172.870 174.600 -0.539 0.000 1.083 216 S CA -0.461 57.564 58.200 -0.292 0.000 1.025 216 S CB 0.991 64.105 63.200 -0.143 0.000 1.056 216 S HN 0.353 nan 8.310 nan 0.000 0.494 217 F N 0.756 120.635 119.950 -0.119 0.000 2.551 217 F HA 0.629 5.156 4.527 -0.000 0.000 0.316 217 F C 0.423 176.171 175.800 -0.086 0.000 1.089 217 F CA -0.638 57.295 58.000 -0.111 0.000 0.915 217 F CB 2.051 40.954 39.000 -0.161 0.000 1.186 217 F HN 0.368 nan 8.300 nan 0.000 0.456 218 S N 0.517 116.276 115.700 0.098 0.000 2.526 218 S HA 0.929 5.399 4.470 -0.000 0.000 0.293 218 S C -0.086 174.540 174.600 0.043 0.000 1.092 218 S CA -0.565 57.667 58.200 0.054 0.000 0.980 218 S CB 2.061 65.274 63.200 0.023 0.000 1.048 218 S HN 1.091 nan 8.310 nan 0.000 0.483 219 G N 0.981 109.802 108.800 0.035 0.000 2.529 219 G HA2 0.576 4.536 3.960 -0.000 0.000 0.238 219 G HA3 0.576 4.536 3.960 -0.000 0.000 0.238 219 G C -1.547 173.364 174.900 0.019 0.000 1.207 219 G CA -0.440 44.669 45.100 0.014 0.000 0.928 219 G HN 0.648 nan 8.290 nan 0.000 0.495 220 T N -0.524 114.020 114.554 -0.016 0.000 2.876 220 T HA 0.757 5.107 4.350 -0.000 0.000 0.289 220 T C -0.021 174.608 174.700 -0.119 0.000 1.014 220 T CA 0.212 62.300 62.100 -0.020 0.000 0.986 220 T CB 1.738 70.587 68.868 -0.033 0.000 1.021 220 T HN 1.278 nan 8.240 nan 0.000 0.458 221 G N 1.225 109.940 108.800 -0.142 0.000 2.733 221 G HA2 0.869 4.829 3.960 -0.000 0.000 0.288 221 G HA3 0.869 4.829 3.960 -0.000 0.000 0.288 221 G C -1.582 173.019 174.900 -0.498 0.000 1.373 221 G CA -1.097 43.637 45.100 -0.610 0.000 0.895 221 G HN 0.872 nan 8.290 nan 0.000 0.479 222 R N -1.165 118.833 120.500 -0.837 0.000 2.690 222 R HA 0.550 4.890 4.340 -0.000 0.000 0.269 222 R C -1.773 174.423 176.300 -0.174 0.000 1.037 222 R CA -0.960 55.005 56.100 -0.225 0.000 0.877 222 R CB 1.154 31.389 30.300 -0.109 0.000 1.255 222 R HN 0.390 nan 8.270 nan 0.000 0.467 223 I N 2.746 123.415 120.570 0.165 0.000 2.321 223 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 223 I C -0.395 175.797 176.117 0.125 0.000 0.998 223 I CA -0.873 60.535 61.300 0.181 0.000 1.227 223 I CB 1.426 39.517 38.000 0.153 0.000 1.368 223 I HN 0.312 nan 8.210 nan 0.000 0.466 224 L N 6.320 127.594 121.223 0.085 0.000 2.296 224 L HA 0.665 5.005 4.340 -0.000 0.000 0.286 224 L C 0.994 177.921 176.870 0.095 0.000 1.023 224 L CA -0.275 54.608 54.840 0.072 0.000 0.812 224 L CB 1.266 43.347 42.059 0.038 0.000 1.223 224 L HN 0.913 nan 8.230 nan 0.000 0.421 225 G N 2.381 111.237 108.800 0.093 0.000 2.566 225 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.280 225 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.280 225 G C 0.868 175.848 174.900 0.133 0.000 1.225 225 G CA 0.451 45.609 45.100 0.096 0.000 0.966 225 G HN 0.889 nan 8.290 nan 0.000 0.560 226 A N -1.095 121.797 122.820 0.121 0.000 1.902 226 A HA 0.426 4.746 4.320 -0.000 0.000 0.217 226 A C 2.281 179.961 177.584 0.160 0.000 1.181 226 A CA 2.878 54.999 52.037 0.140 0.000 0.623 226 A CB -0.450 18.614 19.000 0.106 0.000 0.818 226 A HN 2.628 nan 8.150 nan 0.000 0.443 227 G N -0.962 107.907 108.800 0.116 0.000 5.310 227 G HA2 0.282 4.242 3.960 -0.000 0.000 0.203 227 G HA3 0.282 4.242 3.960 -0.000 0.000 0.203 227 G C -0.723 174.237 174.900 0.100 0.000 0.800 227 G CA -0.436 44.709 45.100 0.075 0.000 0.754 227 G HN 0.138 nan 8.290 nan 0.000 0.308 228 E N 1.211 121.483 120.200 0.119 0.000 2.044 228 E HA 0.119 4.469 4.350 -0.000 0.000 0.282 228 E C -0.655 176.053 176.600 0.181 0.000 1.031 228 E CA -0.664 55.821 56.400 0.142 0.000 0.824 228 E CB 1.250 31.007 29.700 0.094 0.000 1.076 228 E HN 0.469 nan 8.360 nan 0.000 0.395 229 W N 5.826 127.168 121.300 0.070 0.000 2.338 229 W HA 0.265 4.925 4.660 0.000 0.000 0.307 229 W C -0.863 175.632 176.519 -0.041 0.000 1.167 229 W CA -0.401 56.981 57.345 0.061 0.000 1.208 229 W CB 0.800 30.408 29.460 0.246 0.000 1.228 229 W HN 0.249 nan 8.180 nan 0.000 0.499 230 R N 4.545 124.588 120.500 -0.762 0.000 2.575 230 R HA 0.749 5.089 4.340 -0.000 0.000 0.293 230 R C -1.105 174.607 176.300 -0.981 0.000 0.983 230 R CA -0.647 55.052 56.100 -0.670 0.000 0.887 230 R CB 1.624 31.720 30.300 -0.339 0.000 1.184 230 R HN 0.552 nan 8.270 nan 0.000 0.445 231 A N 1.078 123.467 122.820 -0.718 0.000 2.594 231 A HA 0.716 5.036 4.320 -0.000 0.000 0.295 231 A C -1.088 176.312 177.584 -0.308 0.000 1.071 231 A CA -0.565 51.152 52.037 -0.534 0.000 0.685 231 A CB 2.123 20.854 19.000 -0.449 0.000 1.285 231 A HN 0.466 nan 8.150 nan 0.000 0.405 232 T N 1.748 116.173 114.554 -0.214 0.000 2.812 232 T HA 0.629 4.979 4.350 -0.000 0.000 0.282 232 T C -0.917 173.724 174.700 -0.098 0.000 0.990 232 T CA -0.110 61.899 62.100 -0.151 0.000 0.960 232 T CB 0.541 69.338 68.868 -0.118 0.000 0.948 232 T HN 0.458 nan 8.240 nan 0.000 0.438 233 L N 1.893 123.065 121.223 -0.085 0.000 2.333 233 L HA 0.852 5.192 4.340 -0.000 0.000 0.263 233 L C 0.032 176.927 176.870 0.042 0.000 1.014 233 L CA -0.593 54.237 54.840 -0.017 0.000 0.820 233 L CB 2.322 44.373 42.059 -0.014 0.000 1.352 233 L HN 0.574 nan 8.230 nan 0.000 0.421 234 S N -0.503 115.262 115.700 0.108 0.000 2.618 234 S HA 0.695 5.165 4.470 -0.000 0.000 0.277 234 S C -1.866 172.811 174.600 0.127 0.000 1.138 234 S CA -0.637 57.648 58.200 0.143 0.000 0.844 234 S CB 2.341 65.576 63.200 0.060 0.000 1.127 234 S HN 0.645 nan 8.310 nan 0.000 0.474 235 D N -0.210 120.238 120.400 0.080 0.000 2.613 235 D HA 0.538 5.178 4.640 -0.000 0.000 0.230 235 D C 0.502 176.770 176.300 -0.053 0.000 1.365 235 D CA 0.970 54.913 54.000 -0.095 0.000 0.976 235 D CB 0.635 41.180 40.800 -0.425 0.000 1.415 235 D HN 0.795 nan 8.370 nan 0.000 0.589 236 G N 2.800 111.572 108.800 -0.047 0.000 2.583 236 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.292 236 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.292 236 G C 1.069 175.969 174.900 -0.001 0.000 1.203 236 G CA 0.843 45.926 45.100 -0.028 0.000 0.987 236 G HN 1.077 nan 8.290 nan 0.000 0.554 237 T N -1.472 113.087 114.554 0.008 0.000 3.129 237 T HA 0.478 4.828 4.350 -0.000 0.000 0.251 237 T C 0.809 175.533 174.700 0.041 0.000 1.117 237 T CA 0.908 63.020 62.100 0.019 0.000 1.034 237 T CB 0.205 69.081 68.868 0.014 0.000 0.968 237 T HN 0.969 nan 8.240 nan 0.000 0.526 238 V N 2.228 122.182 119.914 0.065 0.000 2.465 238 V HA 0.464 4.584 4.120 -0.000 0.000 0.279 238 V C 0.142 176.317 176.094 0.135 0.000 1.045 238 V CA -0.425 61.944 62.300 0.115 0.000 0.938 238 V CB 1.288 33.224 31.823 0.188 0.000 0.986 238 V HN 0.396 nan 8.190 nan 0.000 0.467 239 T N 6.435 121.044 114.554 0.091 0.000 2.841 239 T HA 0.722 5.072 4.350 -0.000 0.000 0.283 239 T C -0.385 174.318 174.700 0.005 0.000 1.000 239 T CA -0.248 61.883 62.100 0.051 0.000 0.977 239 T CB 1.324 70.205 68.868 0.022 0.000 0.979 239 T HN 0.646 nan 8.240 nan 0.000 0.446 240 I N -0.320 120.204 120.570 -0.077 0.000 3.002 240 I HA 0.810 4.980 4.170 -0.000 0.000 0.310 240 I C -0.857 175.133 176.117 -0.211 0.000 1.087 240 I CA -1.370 59.841 61.300 -0.148 0.000 1.017 240 I CB 2.024 39.850 38.000 -0.290 0.000 1.226 240 I HN 0.224 nan 8.210 nan 0.000 0.443 241 R N 2.772 123.073 120.500 -0.332 0.000 2.670 241 R HA 0.502 4.842 4.340 -0.000 0.000 0.289 241 R C -1.290 174.807 176.300 -0.338 0.000 0.965 241 R CA -0.759 55.113 56.100 -0.380 0.000 0.899 241 R CB 2.166 32.163 30.300 -0.505 0.000 1.173 241 R HN 0.726 nan 8.270 nan 0.000 0.456 242 Q N 2.180 121.770 119.800 -0.349 0.000 2.322 242 Q HA 0.504 4.844 4.340 -0.000 0.000 0.265 242 Q C -0.401 175.304 176.000 -0.492 0.000 0.985 242 Q CA -0.418 55.062 55.803 -0.539 0.000 0.849 242 Q CB 2.129 30.407 28.738 -0.766 0.000 1.274 242 Q HN 0.465 nan 8.270 nan 0.000 0.449 243 I N 4.008 124.392 120.570 -0.310 0.000 2.502 243 I HA 0.368 4.538 4.170 -0.000 0.000 0.276 243 I C -0.852 175.456 176.117 0.319 0.000 1.057 243 I CA -0.131 61.165 61.300 -0.008 0.000 1.163 243 I CB 0.360 38.419 38.000 0.099 0.000 1.288 243 I HN 0.442 nan 8.210 nan 0.000 0.479 244 F N 3.026 123.170 119.950 0.323 0.000 2.575 244 F HA 0.828 5.356 4.527 0.000 0.000 0.330 244 F C 0.482 176.449 175.800 0.278 0.000 1.056 244 F CA -1.358 56.827 58.000 0.309 0.000 0.964 244 F CB 1.846 41.059 39.000 0.355 0.000 1.258 244 F HN 0.295 nan 8.300 nan 0.000 0.484 245 A N 2.185 125.244 122.820 0.398 0.000 2.330 245 A HA 0.678 4.998 4.320 -0.000 0.000 0.327 245 A C -1.469 176.175 177.584 0.099 0.000 1.155 245 A CA -0.628 51.536 52.037 0.211 0.000 0.803 245 A CB 1.373 20.450 19.000 0.129 0.000 1.208 245 A HN 0.757 nan 8.150 nan 0.000 0.477 246 L N 2.418 123.618 121.223 -0.040 0.000 2.319 246 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 246 L C -0.738 176.010 176.870 -0.203 0.000 1.005 246 L CA -0.190 54.431 54.840 -0.366 0.000 0.828 246 L CB 1.306 42.983 42.059 -0.636 0.000 1.227 246 L HN 0.975 nan 8.230 nan 0.000 0.415 247 Q N 4.647 124.341 119.800 -0.177 0.000 2.284 247 Q HA 0.228 4.568 4.340 -0.000 0.000 0.269 247 Q C -1.108 174.859 176.000 -0.055 0.000 1.026 247 Q CA -0.485 55.282 55.803 -0.059 0.000 0.831 247 Q CB 1.751 30.480 28.738 -0.016 0.000 1.322 247 Q HN 0.725 nan 8.270 nan 0.000 0.419 248 D N 3.096 123.492 120.400 -0.006 0.000 2.723 248 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 248 D C 0.566 176.856 176.300 -0.017 0.000 1.138 248 D CA 1.660 55.659 54.000 -0.001 0.000 0.676 248 D CB -1.387 39.411 40.800 -0.003 0.000 1.069 248 D HN 1.164 nan 8.370 nan 0.000 0.430 249 G N 0.320 109.103 108.800 -0.028 0.000 2.187 249 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.261 249 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.261 249 G C 0.276 175.148 174.900 -0.047 0.000 1.000 249 G CA 0.834 45.917 45.100 -0.028 0.000 0.718 249 G HN 0.721 nan 8.290 nan 0.000 0.519 250 R N -0.843 119.565 120.500 -0.154 0.000 2.561 250 R HA 0.682 5.022 4.340 -0.000 0.000 0.297 250 R C -0.817 175.316 176.300 -0.278 0.000 0.969 250 R CA -0.974 55.055 56.100 -0.119 0.000 0.879 250 R CB 0.766 31.039 30.300 -0.046 0.000 1.178 250 R HN -0.014 nan 8.270 nan 0.000 0.445 251 F N 1.981 121.822 119.950 -0.183 0.000 2.399 251 F HA 0.447 4.974 4.527 0.000 0.000 0.334 251 F C 0.314 175.926 175.800 -0.312 0.000 1.097 251 F CA 0.001 57.823 58.000 -0.296 0.000 1.076 251 F CB 2.142 40.834 39.000 -0.513 0.000 1.162 251 F HN 0.599 nan 8.300 nan 0.000 0.495 252 S N 1.277 116.927 115.700 -0.084 0.000 2.533 252 S HA 0.945 5.415 4.470 -0.000 0.000 0.271 252 S C -0.639 173.925 174.600 -0.061 0.000 1.143 252 S CA -0.224 57.897 58.200 -0.132 0.000 0.891 252 S CB 1.777 64.956 63.200 -0.035 0.000 1.105 252 S HN 1.371 nan 8.310 nan 0.000 0.468 253 G N 1.495 110.255 108.800 -0.066 0.000 2.356 253 G HA2 0.413 4.373 3.960 -0.000 0.000 0.266 253 G HA3 0.413 4.373 3.960 -0.000 0.000 0.266 253 G C -1.858 173.206 174.900 0.272 0.000 1.312 253 G CA -0.802 44.425 45.100 0.211 0.000 0.922 253 G HN 0.880 nan 8.290 nan 0.000 0.480 254 R N -0.156 120.619 120.500 0.458 0.000 2.750 254 R HA 0.664 5.004 4.340 -0.000 0.000 0.281 254 R C -0.865 175.695 176.300 0.433 0.000 0.972 254 R CA -0.960 55.333 56.100 0.322 0.000 0.912 254 R CB 1.464 31.845 30.300 0.136 0.000 1.187 254 R HN 0.885 nan 8.270 nan 0.000 0.464 255 W N 4.215 125.690 121.300 0.291 0.000 2.781 255 W HA 0.512 5.172 4.660 -0.000 0.000 0.345 255 W C -1.225 175.331 176.519 0.061 0.000 1.085 255 W CA -0.860 56.521 57.345 0.060 0.000 1.198 255 W CB 0.866 30.340 29.460 0.022 0.000 1.423 255 W HN 0.750 nan 8.180 nan 0.000 0.532 256 H N -0.815 118.367 119.070 0.186 0.000 3.017 256 H HA 0.191 4.747 4.556 -0.000 0.000 0.346 256 H C -1.360 174.059 175.328 0.152 0.000 1.286 256 H CA -0.787 55.271 56.048 0.018 0.000 1.120 256 H CB 1.486 31.204 29.762 -0.074 0.000 1.860 256 H HN 0.342 nan 8.280 nan 0.000 0.542 257 D N 0.535 121.103 120.400 0.280 0.000 2.434 257 D HA 0.088 4.728 4.640 -0.000 0.000 0.252 257 D C 1.173 177.624 176.300 0.252 0.000 1.185 257 D CA 0.626 54.751 54.000 0.208 0.000 0.886 257 D CB 1.287 42.183 40.800 0.160 0.000 1.148 257 D HN 0.630 nan 8.370 nan 0.000 0.483 258 A N 4.361 127.251 122.820 0.116 0.000 2.019 258 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 258 A C 1.484 179.136 177.584 0.113 0.000 1.164 258 A CA 1.197 53.298 52.037 0.106 0.000 0.644 258 A CB 0.054 19.068 19.000 0.024 0.000 0.805 258 A HN 0.604 nan 8.150 nan 0.000 0.449 259 D N -1.324 119.129 120.400 0.088 0.000 2.360 259 D HA 0.145 4.785 4.640 -0.000 0.000 0.210 259 D C -0.004 176.321 176.300 0.042 0.000 1.047 259 D CA 0.699 54.731 54.000 0.054 0.000 0.854 259 D CB 0.437 41.261 40.800 0.040 0.000 0.936 259 D HN 0.224 nan 8.370 nan 0.000 0.514 260 S N 1.064 116.801 115.700 0.061 0.000 2.397 260 S HA 0.060 4.530 4.470 -0.000 0.000 0.190 260 S C 0.018 174.623 174.600 0.007 0.000 1.100 260 S CA -0.680 57.531 58.200 0.018 0.000 1.150 260 S CB 0.394 63.602 63.200 0.014 0.000 1.302 260 S HN -0.021 nan 8.310 nan 0.000 0.417 261 D N 2.423 122.773 120.400 -0.084 0.000 2.384 261 D HA -0.076 4.564 4.640 -0.000 0.000 0.222 261 D C 1.444 177.606 176.300 -0.231 0.000 0.976 261 D CA 0.607 54.416 54.000 -0.319 0.000 0.915 261 D CB -0.049 40.307 40.800 -0.741 0.000 0.896 261 D HN 0.368 nan 8.370 nan 0.000 0.523 262 V N 0.297 120.131 119.914 -0.133 0.000 2.809 262 V HA -0.012 4.108 4.120 -0.000 0.000 0.256 262 V C 1.271 177.300 176.094 -0.108 0.000 1.080 262 V CA 0.585 62.813 62.300 -0.120 0.000 1.102 262 V CB -0.393 31.369 31.823 -0.101 0.000 0.705 262 V HN 0.259 nan 8.190 nan 0.000 0.475 263 I N 0.454 120.980 120.570 -0.073 0.000 2.315 263 I HA 0.630 4.799 4.170 -0.000 0.000 0.291 263 I C 0.598 176.646 176.117 -0.116 0.000 1.006 263 I CA 0.312 61.573 61.300 -0.065 0.000 1.265 263 I CB 0.923 38.921 38.000 -0.005 0.000 1.387 263 I HN 0.218 nan 8.210 nan 0.000 0.475 264 G N 3.744 112.373 108.800 -0.286 0.000 2.341 264 G HA2 0.633 4.593 3.960 -0.000 0.000 0.299 264 G HA3 0.633 4.593 3.960 -0.000 0.000 0.299 264 G C -1.352 173.000 174.900 -0.914 0.000 1.274 264 G CA -0.151 44.474 45.100 -0.792 0.000 0.853 264 G HN 0.811 nan 8.290 nan 0.000 0.493 265 G N -1.165 106.750 108.800 -1.474 0.000 2.684 265 G HA2 0.689 4.649 3.960 -0.000 0.000 0.290 265 G HA3 0.689 4.649 3.960 -0.000 0.000 0.290 265 G C -1.413 173.260 174.900 -0.378 0.000 1.425 265 G CA -0.642 44.086 45.100 -0.622 0.000 0.822 265 G HN 0.571 nan 8.290 nan 0.000 0.482 266 R N -0.678 119.817 120.500 -0.008 0.000 2.732 266 R HA 0.818 5.158 4.340 -0.000 0.000 0.278 266 R C -0.914 175.466 176.300 0.134 0.000 0.976 266 R CA -0.580 55.554 56.100 0.056 0.000 0.963 266 R CB 1.488 31.791 30.300 0.006 0.000 1.150 266 R HN 0.703 nan 8.270 nan 0.000 0.478 267 L N -0.309 120.958 121.223 0.072 0.000 2.765 267 L HA 0.941 5.281 4.340 -0.000 0.000 0.263 267 L C -1.830 174.961 176.870 -0.132 0.000 1.068 267 L CA -0.964 53.884 54.840 0.014 0.000 0.903 267 L CB 1.571 43.732 42.059 0.170 0.000 1.512 267 L HN 0.662 nan 8.230 nan 0.000 0.404 268 A N -0.044 122.711 122.820 -0.110 0.000 2.515 268 A HA 1.062 5.382 4.320 -0.000 0.000 0.298 268 A C -1.039 176.502 177.584 -0.072 0.000 1.059 268 A CA -0.034 51.938 52.037 -0.110 0.000 0.698 268 A CB 1.675 20.639 19.000 -0.059 0.000 1.289 268 A HN 2.001 nan 8.150 nan 0.000 0.404 269 A N 0.729 123.528 122.820 -0.035 0.000 2.455 269 A HA 0.817 5.137 4.320 -0.000 0.000 0.300 269 A C -0.594 177.108 177.584 0.198 0.000 1.040 269 A CA -0.038 52.034 52.037 0.057 0.000 0.697 269 A CB 1.313 20.297 19.000 -0.026 0.000 1.265 269 A HN 2.302 nan 8.150 nan 0.000 0.407 270 V N -1.057 118.997 119.914 0.233 0.000 3.040 270 V HA 0.777 4.897 4.120 -0.000 0.000 0.312 270 V C -0.281 175.888 176.094 0.125 0.000 1.115 270 V CA -1.407 61.019 62.300 0.210 0.000 0.998 270 V CB 1.486 33.350 31.823 0.069 0.000 1.042 270 V HN 0.807 nan 8.190 nan 0.000 0.433 271 K N 1.881 122.206 120.400 -0.125 0.000 2.511 271 K HA 0.405 4.724 4.320 -0.000 0.000 0.280 271 K C 1.235 177.733 176.600 -0.169 0.000 1.008 271 K CA 0.976 57.028 56.287 -0.392 0.000 1.050 271 K CB 0.829 33.124 32.500 -0.341 0.000 0.889 271 K HN 1.005 nan 8.250 nan 0.000 0.484 272 A N 3.438 126.164 122.820 -0.157 0.000 1.978 272 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 272 A C 1.184 178.733 177.584 -0.059 0.000 1.170 272 A CA 2.028 54.025 52.037 -0.067 0.000 0.636 272 A CB -0.628 18.344 19.000 -0.046 0.000 0.810 272 A HN 0.908 nan 8.150 nan 0.000 0.448 273 D N -0.458 119.895 120.400 -0.078 0.000 2.340 273 D HA 0.407 5.047 4.640 -0.000 0.000 0.220 273 D C 0.796 177.068 176.300 -0.047 0.000 1.039 273 D CA 0.387 54.354 54.000 -0.055 0.000 0.866 273 D CB -0.280 40.487 40.800 -0.056 0.000 0.913 273 D HN 0.439 nan 8.370 nan 0.000 0.523 274 A N 0.523 123.311 122.820 -0.053 0.000 2.429 274 A HA 0.494 4.814 4.320 -0.000 0.000 0.242 274 A C 0.947 178.516 177.584 -0.024 0.000 1.088 274 A CA -0.093 51.921 52.037 -0.038 0.000 0.784 274 A CB -0.087 18.891 19.000 -0.037 0.000 1.038 274 A HN 0.421 nan 8.150 nan 0.000 0.501 275 A N 1.358 124.167 122.820 -0.019 0.000 2.409 275 A HA 0.510 4.830 4.320 -0.000 0.000 0.246 275 A C -2.201 175.377 177.584 -0.011 0.000 1.099 275 A CA -1.012 51.017 52.037 -0.013 0.000 0.789 275 A CB -0.939 18.055 19.000 -0.010 0.000 1.053 275 A HN 0.635 nan 8.150 nan 0.000 0.503 276 P HA 0.056 nan 4.420 nan 0.000 0.258 276 P C -0.670 176.626 177.300 -0.006 0.000 1.172 276 P CA 0.908 64.004 63.100 -0.006 0.000 0.762 276 P CB 0.125 31.822 31.700 -0.005 0.000 0.764 277 Q N 2.432 122.228 119.800 -0.006 0.000 2.313 277 Q HA 0.367 4.707 4.340 -0.000 0.000 0.260 277 Q C -1.806 174.190 176.000 -0.005 0.000 0.972 277 Q CA -0.697 55.103 55.803 -0.005 0.000 0.886 277 Q CB 1.637 30.372 28.738 -0.004 0.000 1.373 277 Q HN 0.077 nan 8.270 nan 0.000 0.416 278 V N 6.043 125.953 119.914 -0.007 0.000 2.432 278 V HA 0.209 4.329 4.120 -0.000 0.000 0.275 278 V C 0.864 176.951 176.094 -0.013 0.000 1.043 278 V CA -0.035 62.259 62.300 -0.010 0.000 0.925 278 V CB 1.274 33.091 31.823 -0.010 0.000 0.985 278 V HN 0.888 nan 8.190 nan 0.000 0.466 279 L N 3.783 124.995 121.223 -0.017 0.000 2.221 279 L HA 0.568 4.908 4.340 -0.000 0.000 0.202 279 L C 0.838 177.686 176.870 -0.036 0.000 1.074 279 L CA 0.999 55.825 54.840 -0.023 0.000 0.795 279 L CB 0.152 42.198 42.059 -0.021 0.000 0.960 279 L HN 0.786 nan 8.230 nan 0.000 0.458 280 A N -0.992 121.804 122.820 -0.040 0.000 2.567 280 A HA 0.561 4.881 4.320 -0.000 0.000 0.291 280 A C -1.911 175.644 177.584 -0.048 0.000 1.048 280 A CA -0.368 51.638 52.037 -0.052 0.000 0.661 280 A CB 1.390 20.341 19.000 -0.081 0.000 1.288 280 A HN -0.232 nan 8.150 nan 0.000 0.424 281 V N 0.002 119.886 119.914 -0.050 0.000 2.638 281 V HA 0.873 4.993 4.120 -0.000 0.000 0.306 281 V C -0.472 175.590 176.094 -0.053 0.000 1.052 281 V CA 0.315 62.590 62.300 -0.042 0.000 0.885 281 V CB 1.463 33.268 31.823 -0.029 0.000 0.999 281 V HN 2.382 nan 8.190 nan 0.000 0.424 282 A N 8.592 131.382 122.820 -0.049 0.000 2.381 282 A HA 0.951 5.270 4.320 -0.000 0.000 0.299 282 A C -2.995 174.567 177.584 -0.036 0.000 1.049 282 A CA -1.523 50.482 52.037 -0.054 0.000 0.715 282 A CB 1.934 20.894 19.000 -0.067 0.000 1.222 282 A HN 0.673 nan 8.150 nan 0.000 0.428 283 P HA 0.327 nan 4.420 nan 0.000 0.274 283 P C 0.414 177.682 177.300 -0.053 0.000 1.256 283 P CA 0.061 63.124 63.100 -0.062 0.000 0.795 283 P CB 1.334 32.994 31.700 -0.068 0.000 1.038 284 A N 0.979 123.757 122.820 -0.070 0.000 2.348 284 A HA 0.133 4.453 4.320 -0.000 0.000 0.224 284 A C 0.958 178.524 177.584 -0.030 0.000 1.227 284 A CA -0.038 51.968 52.037 -0.052 0.000 0.885 284 A CB -0.318 18.641 19.000 -0.068 0.000 0.933 284 A HN 0.619 nan 8.150 nan 0.000 0.506 285 R N -0.876 119.610 120.500 -0.023 0.000 2.803 285 R HA 0.818 5.158 4.340 -0.000 0.000 0.276 285 R C -1.548 174.834 176.300 0.136 0.000 0.978 285 R CA -0.708 55.429 56.100 0.062 0.000 0.939 285 R CB 1.176 31.476 30.300 -0.001 0.000 1.179 285 R HN 0.047 nan 8.270 nan 0.000 0.472 286 L N 2.051 123.400 121.223 0.210 0.000 2.376 286 L HA 0.448 4.788 4.340 -0.000 0.000 0.275 286 L C -0.485 176.396 176.870 0.019 0.000 0.987 286 L CA -0.911 53.996 54.840 0.111 0.000 0.828 286 L CB 2.207 44.296 42.059 0.051 0.000 1.249 286 L HN 0.686 nan 8.230 nan 0.000 0.409 287 K N 4.730 125.062 120.400 -0.113 0.000 2.292 287 K HA 0.335 4.655 4.320 -0.000 0.000 0.290 287 K C 0.033 176.478 176.600 -0.259 0.000 1.083 287 K CA -0.476 55.544 56.287 -0.446 0.000 0.918 287 K CB 0.327 32.661 32.500 -0.276 0.000 1.089 287 K HN 0.495 nan 8.250 nan 0.000 0.473 288 I N 3.782 124.189 120.570 -0.271 0.000 3.089 288 I HA -0.249 3.921 4.170 -0.000 0.000 0.321 288 I C 1.357 177.413 176.117 -0.102 0.000 1.222 288 I CA 1.552 62.769 61.300 -0.138 0.000 1.452 288 I CB -0.030 37.902 38.000 -0.115 0.000 1.321 288 I HN 1.087 nan 8.210 nan 0.000 0.539 289 G N 4.375 113.137 108.800 -0.063 0.000 2.148 289 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 289 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 289 G C -0.035 174.840 174.900 -0.041 0.000 0.981 289 G CA -0.128 44.945 45.100 -0.045 0.000 0.670 289 G HN 0.731 nan 8.290 nan 0.000 0.528 290 E N 0.167 120.339 120.200 -0.047 0.000 2.255 290 E HA 0.342 4.692 4.350 -0.000 0.000 0.256 290 E C -0.209 176.378 176.600 -0.022 0.000 0.887 290 E CA -0.645 55.735 56.400 -0.034 0.000 0.782 290 E CB 1.507 31.181 29.700 -0.042 0.000 1.214 290 E HN 0.411 nan 8.360 nan 0.000 0.417 291 E N 2.807 122.999 120.200 -0.013 0.000 2.417 291 E HA 0.060 4.410 4.350 -0.000 0.000 0.261 291 E C -0.707 175.892 176.600 -0.002 0.000 1.000 291 E CA 0.334 56.730 56.400 -0.006 0.000 0.919 291 E CB 0.532 30.230 29.700 -0.003 0.000 0.955 291 E HN 0.492 nan 8.360 nan 0.000 0.455 292 T N 1.253 115.807 114.554 0.000 0.000 2.903 292 T HA 0.268 4.618 4.350 -0.000 0.000 0.299 292 T C -0.553 174.150 174.700 0.005 0.000 1.093 292 T CA -1.068 61.034 62.100 0.004 0.000 1.002 292 T CB 1.564 70.435 68.868 0.006 0.000 1.127 292 T HN 0.452 nan 8.240 nan 0.000 0.488 293 Q N 1.106 120.909 119.800 0.006 0.000 2.286 293 Q HA 0.634 4.974 4.340 -0.000 0.000 0.257 293 Q C -1.347 174.655 176.000 0.003 0.000 0.941 293 Q CA -0.387 55.420 55.803 0.006 0.000 0.912 293 Q CB 0.435 29.179 28.738 0.010 0.000 1.192 293 Q HN 0.661 nan 8.270 nan 0.000 0.410 294 L N 4.406 125.629 121.223 0.001 0.000 2.385 294 L HA 0.591 4.931 4.340 -0.000 0.000 0.273 294 L C -0.578 176.290 176.870 -0.005 0.000 0.990 294 L CA -0.787 54.051 54.840 -0.004 0.000 0.821 294 L CB 2.119 44.176 42.059 -0.004 0.000 1.279 294 L HN 0.596 nan 8.230 nan 0.000 0.412 295 R N 2.476 122.970 120.500 -0.009 0.000 2.246 295 R HA 0.468 4.808 4.340 -0.000 0.000 0.332 295 R C -0.987 175.303 176.300 -0.018 0.000 0.974 295 R CA -0.602 55.492 56.100 -0.010 0.000 0.837 295 R CB 1.883 32.178 30.300 -0.008 0.000 1.145 295 R HN 0.286 nan 8.270 nan 0.000 0.467 296 V N 3.268 123.174 119.914 -0.014 0.000 2.334 296 V HA 0.333 4.453 4.120 -0.000 0.000 0.267 296 V C 0.423 176.508 176.094 -0.015 0.000 1.040 296 V CA -0.658 61.633 62.300 -0.016 0.000 0.866 296 V CB 1.072 32.888 31.823 -0.011 0.000 1.019 296 V HN 0.827 nan 8.190 nan 0.000 0.468 297 A N 4.210 127.017 122.820 -0.022 0.000 2.310 297 A HA 0.955 5.275 4.320 -0.000 0.000 0.299 297 A C 0.578 178.154 177.584 -0.013 0.000 1.147 297 A CA 0.418 52.444 52.037 -0.017 0.000 0.818 297 A CB 0.943 19.928 19.000 -0.026 0.000 1.096 297 A HN 1.423 nan 8.150 nan 0.000 0.495 298 G N -0.070 108.726 108.800 -0.006 0.000 2.324 298 G HA2 0.539 4.499 3.960 -0.000 0.000 0.293 298 G HA3 0.539 4.499 3.960 -0.000 0.000 0.293 298 G C -0.563 174.336 174.900 -0.001 0.000 1.297 298 G CA 0.020 45.117 45.100 -0.004 0.000 0.853 298 G HN 1.496 nan 8.290 nan 0.000 0.535 299 T N -2.235 112.317 114.554 -0.003 0.000 2.859 299 T HA 0.582 4.932 4.350 -0.000 0.000 0.281 299 T C 1.333 176.029 174.700 -0.008 0.000 1.005 299 T CA 0.673 62.769 62.100 -0.006 0.000 1.025 299 T CB 1.347 70.209 68.868 -0.010 0.000 0.977 299 T HN 2.594 nan 8.240 nan 0.000 0.458 300 G N 1.748 110.543 108.800 -0.008 0.000 2.379 300 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.297 300 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.297 300 G C 0.657 175.553 174.900 -0.006 0.000 1.004 300 G CA 0.677 45.773 45.100 -0.008 0.000 0.921 300 G HN 0.833 nan 8.290 nan 0.000 0.511 301 L N -0.441 120.779 121.223 -0.005 0.000 2.156 301 L HA 0.208 4.548 4.340 -0.000 0.000 0.208 301 L C 2.423 179.291 176.870 -0.003 0.000 1.095 301 L CA 1.063 55.901 54.840 -0.004 0.000 0.770 301 L CB -0.814 41.242 42.059 -0.004 0.000 0.914 301 L HN 0.990 nan 8.230 nan 0.000 0.439 302 G N 0.350 109.149 108.800 -0.003 0.000 2.575 302 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.267 302 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.267 302 G C 0.418 175.318 174.900 -0.002 0.000 1.264 302 G CA 0.252 45.350 45.100 -0.002 0.000 0.935 302 G HN 0.463 nan 8.290 nan 0.000 0.568 303 S N -0.903 114.796 115.700 -0.001 0.000 2.937 303 S HA 0.352 4.822 4.470 -0.000 0.000 0.252 303 S C -0.400 174.200 174.600 -0.000 0.000 1.022 303 S CA 0.606 58.806 58.200 -0.001 0.000 1.079 303 S CB 0.707 63.907 63.200 -0.000 0.000 1.035 303 S HN 0.554 nan 8.310 nan 0.000 0.594 304 D N 2.801 123.200 120.400 -0.001 0.000 2.383 304 D HA 0.338 4.978 4.640 -0.000 0.000 0.245 304 D C -0.691 175.609 176.300 -0.000 0.000 1.263 304 D CA 0.017 54.017 54.000 -0.000 0.000 0.936 304 D CB 1.078 41.877 40.800 -0.001 0.000 1.053 304 D HN 0.330 nan 8.370 nan 0.000 0.507 305 L N 2.400 123.623 121.223 0.000 0.000 2.313 305 L HA 0.413 4.753 4.340 -0.000 0.000 0.283 305 L C -0.314 176.557 176.870 0.001 0.000 1.013 305 L CA -0.228 54.612 54.840 0.001 0.000 0.816 305 L CB 2.106 44.165 42.059 0.001 0.000 1.236 305 L HN 0.129 nan 8.230 nan 0.000 0.419 306 T N 6.336 120.891 114.554 0.001 0.000 2.833 306 T HA 0.582 4.932 4.350 -0.000 0.000 0.297 306 T C -0.651 174.050 174.700 0.002 0.000 1.015 306 T CA -0.459 61.642 62.100 0.002 0.000 0.963 306 T CB 0.043 68.912 68.868 0.002 0.000 0.955 306 T HN 0.517 nan 8.240 nan 0.000 0.449 307 L N 7.265 128.490 121.223 0.003 0.000 2.334 307 L HA 0.635 4.975 4.340 -0.000 0.000 0.275 307 L C -1.527 175.345 176.870 0.004 0.000 1.036 307 L CA -2.074 52.768 54.840 0.003 0.000 0.807 307 L CB 1.484 43.545 42.059 0.003 0.000 1.231 307 L HN 0.530 nan 8.230 nan 0.000 0.438 308 P HA 0.203 nan 4.420 nan 0.000 0.282 308 P C 0.164 177.468 177.300 0.006 0.000 1.287 308 P CA -0.521 62.583 63.100 0.006 0.000 0.792 308 P CB 1.099 32.804 31.700 0.008 0.000 1.163 309 E N 0.721 120.925 120.200 0.006 0.000 2.072 309 E HA -0.200 4.150 4.350 -0.000 0.000 0.218 309 E C 1.914 178.517 176.600 0.005 0.000 1.051 309 E CA 2.407 58.810 56.400 0.005 0.000 0.880 309 E CB -1.339 28.364 29.700 0.006 0.000 0.783 309 E HN 0.784 nan 8.360 nan 0.000 0.473 310 G N 0.732 109.535 108.800 0.006 0.000 2.708 310 G HA2 0.026 3.986 3.960 -0.000 0.000 0.210 310 G HA3 0.026 3.986 3.960 -0.000 0.000 0.210 310 G C 0.330 175.232 174.900 0.003 0.000 1.141 310 G CA 0.402 45.505 45.100 0.005 0.000 0.788 310 G HN 0.136 nan 8.290 nan 0.000 0.531 311 V N -0.506 119.410 119.914 0.004 0.000 2.709 311 V HA 0.835 4.955 4.120 -0.000 0.000 0.308 311 V C -0.897 175.198 176.094 0.002 0.000 1.062 311 V CA -0.418 61.884 62.300 0.003 0.000 0.901 311 V CB 1.759 33.586 31.823 0.005 0.000 1.003 311 V HN 0.411 nan 8.190 nan 0.000 0.425 312 A N 4.155 126.975 122.820 0.000 0.000 2.454 312 A HA 1.089 5.409 4.320 -0.000 0.000 0.302 312 A C 0.081 177.665 177.584 -0.000 0.000 1.079 312 A CA 0.058 52.095 52.037 0.000 0.000 0.731 312 A CB 1.906 20.905 19.000 -0.001 0.000 1.299 312 A HN 2.269 nan 8.150 nan 0.000 0.413 313 G N -0.581 108.219 108.800 0.000 0.000 2.344 313 G HA2 0.658 4.618 3.960 -0.000 0.000 0.282 313 G HA3 0.658 4.618 3.960 -0.000 0.000 0.282 313 G C -0.537 174.364 174.900 0.001 0.000 1.281 313 G CA 0.598 45.698 45.100 0.001 0.000 0.877 313 G HN 2.246 nan 8.290 nan 0.000 0.494 314 S N -2.314 113.387 115.700 0.001 0.000 2.688 314 S HA 0.750 5.220 4.470 -0.000 0.000 0.275 314 S C -1.330 173.271 174.600 0.001 0.000 1.175 314 S CA -0.468 57.733 58.200 0.001 0.000 0.818 314 S CB 1.494 64.695 63.200 0.001 0.000 1.157 314 S HN 1.450 nan 8.310 nan 0.000 0.482 315 V N 1.962 121.877 119.914 0.001 0.000 2.383 315 V HA 0.392 4.512 4.120 -0.000 0.000 0.275 315 V C 0.832 176.928 176.094 0.002 0.000 1.036 315 V CA -0.258 62.043 62.300 0.001 0.000 0.889 315 V CB 0.932 32.755 31.823 0.001 0.000 0.985 315 V HN 1.010 nan 8.190 nan 0.000 0.459 316 E N 2.374 122.576 120.200 0.003 0.000 2.190 316 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 316 E C 0.552 177.154 176.600 0.004 0.000 0.978 316 E CA 0.797 57.199 56.400 0.004 0.000 0.839 316 E CB 0.678 30.381 29.700 0.005 0.000 0.787 316 E HN 0.814 nan 8.360 nan 0.000 0.473 317 S N -0.877 114.825 115.700 0.003 0.000 2.587 317 S HA 0.759 5.229 4.470 -0.000 0.000 0.269 317 S C -1.192 173.409 174.600 0.002 0.000 1.154 317 S CA -0.670 57.532 58.200 0.003 0.000 0.824 317 S CB 2.201 65.404 63.200 0.005 0.000 1.118 317 S HN 0.118 nan 8.310 nan 0.000 0.462 318 A N -0.174 122.647 122.820 0.002 0.000 2.612 318 A HA 1.025 5.345 4.320 -0.000 0.000 0.293 318 A C 0.143 177.727 177.584 0.001 0.000 1.075 318 A CA -0.137 51.901 52.037 0.001 0.000 0.680 318 A CB 0.691 19.692 19.000 0.000 0.000 1.279 318 A HN 2.870 nan 8.150 nan 0.000 0.411 319 G N 0.289 109.090 108.800 0.001 0.000 2.515 319 G HA2 0.295 4.255 3.960 -0.000 0.000 0.686 319 G HA3 0.295 4.255 3.960 -0.000 0.000 0.686 319 G C -0.146 174.755 174.900 0.002 0.000 1.274 319 G CA 0.240 45.340 45.100 0.000 0.000 0.874 319 G HN 2.129 nan 8.290 nan 0.000 0.631 320 N N -0.925 117.776 118.700 0.001 0.000 2.735 320 N HA -0.051 4.689 4.740 -0.000 0.000 0.248 320 N C 1.511 177.024 175.510 0.005 0.000 1.083 320 N CA 1.902 54.954 53.050 0.003 0.000 0.703 320 N CB -0.843 37.647 38.487 0.005 0.000 1.005 320 N HN 2.575 nan 8.380 nan 0.000 0.550 321 G N -2.056 106.746 108.800 0.003 0.000 2.162 321 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 321 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 321 G C -0.082 174.819 174.900 0.002 0.000 0.976 321 G CA 0.380 45.482 45.100 0.004 0.000 0.655 321 G HN 0.553 nan 8.290 nan 0.000 0.533 322 V N 0.089 120.003 119.914 0.001 0.000 2.711 322 V HA 0.650 4.770 4.120 -0.000 0.000 0.304 322 V C -0.192 175.902 176.094 -0.000 0.000 1.097 322 V CA -0.379 61.920 62.300 -0.000 0.000 0.906 322 V CB 2.133 33.957 31.823 0.001 0.000 1.015 322 V HN 0.253 nan 8.190 nan 0.000 0.427 323 T N 3.969 118.522 114.554 -0.002 0.000 2.770 323 T HA 0.538 4.888 4.350 -0.000 0.000 0.283 323 T C -0.306 174.394 174.700 -0.001 0.000 0.988 323 T CA -0.329 61.771 62.100 -0.001 0.000 0.957 323 T CB 1.484 70.351 68.868 -0.002 0.000 0.930 323 T HN 0.380 nan 8.240 nan 0.000 0.443 324 V N 5.865 125.780 119.914 0.001 0.000 2.432 324 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 324 V C 0.043 176.138 176.094 0.002 0.000 1.043 324 V CA -0.654 61.647 62.300 0.002 0.000 0.925 324 V CB 0.851 32.676 31.823 0.005 0.000 0.985 324 V HN 0.701 nan 8.190 nan 0.000 0.466 325 L N 4.327 125.550 121.223 0.001 0.000 2.322 325 L HA 0.661 5.001 4.340 -0.000 0.000 0.269 325 L C -0.076 176.795 176.870 0.002 0.000 1.012 325 L CA -0.781 54.060 54.840 0.001 0.000 0.815 325 L CB 1.888 43.947 42.059 0.000 0.000 1.295 325 L HN 0.527 nan 8.230 nan 0.000 0.438 326 K N 3.193 123.594 120.400 0.002 0.000 2.572 326 K HA 0.616 4.936 4.320 -0.000 0.000 0.244 326 K C -1.580 175.021 176.600 0.002 0.000 0.965 326 K CA -0.355 55.934 56.287 0.002 0.000 0.943 326 K CB 0.803 33.304 32.500 0.003 0.000 1.154 326 K HN 0.521 nan 8.250 nan 0.000 0.447 327 L N 1.418 122.641 121.223 0.001 0.000 2.301 327 L HA 0.608 4.948 4.340 -0.000 0.000 0.264 327 L C -0.210 176.659 176.870 -0.001 0.000 1.016 327 L CA -1.108 53.733 54.840 0.001 0.000 0.821 327 L CB 2.257 44.317 42.059 0.002 0.000 1.346 327 L HN 0.481 nan 8.230 nan 0.000 0.429 328 T N 0.570 115.122 114.554 -0.003 0.000 3.109 328 T HA 0.686 5.036 4.350 -0.000 0.000 0.311 328 T C -1.067 173.628 174.700 -0.009 0.000 1.011 328 T CA -0.330 61.765 62.100 -0.008 0.000 1.026 328 T CB 1.228 70.090 68.868 -0.009 0.000 1.047 328 T HN 0.716 nan 8.240 nan 0.000 0.448 329 A N 3.532 126.344 122.820 -0.014 0.000 2.304 329 A HA 0.869 5.189 4.320 -0.000 0.000 0.301 329 A C 0.318 177.891 177.584 -0.019 0.000 1.132 329 A CA -0.494 51.536 52.037 -0.012 0.000 0.819 329 A CB 0.595 19.590 19.000 -0.008 0.000 1.094 329 A HN 1.090 nan 8.150 nan 0.000 0.492 330 T N -0.995 113.552 114.554 -0.012 0.000 3.032 330 T HA 0.800 5.150 4.350 -0.000 0.000 0.312 330 T C 0.014 174.711 174.700 -0.006 0.000 1.078 330 T CA 0.117 62.209 62.100 -0.013 0.000 1.028 330 T CB 1.191 70.053 68.868 -0.010 0.000 1.091 330 T HN 2.585 nan 8.240 nan 0.000 0.457 331 G N 1.882 110.677 108.800 -0.007 0.000 2.265 331 G HA2 0.339 4.299 3.960 -0.000 0.000 0.246 331 G HA3 0.339 4.299 3.960 -0.000 0.000 0.246 331 G C -0.299 174.603 174.900 0.003 0.000 1.299 331 G CA -0.082 45.018 45.100 0.000 0.000 1.117 331 G HN 1.774 nan 8.290 nan 0.000 0.485 332 T N 0.396 114.957 114.554 0.011 0.000 2.909 332 T HA 0.678 5.028 4.350 -0.000 0.000 0.286 332 T C -2.215 172.504 174.700 0.032 0.000 1.002 332 T CA -0.924 61.187 62.100 0.019 0.000 1.074 332 T CB 1.415 70.295 68.868 0.020 0.000 0.984 332 T HN 0.459 nan 8.240 nan 0.000 0.495 333 P HA 0.513 nan 4.420 nan 0.000 0.268 333 P C 0.434 177.778 177.300 0.074 0.000 1.208 333 P CA 0.580 63.727 63.100 0.078 0.000 0.777 333 P CB 0.179 31.941 31.700 0.104 0.000 0.875 334 G N 1.025 109.878 108.800 0.089 0.000 2.359 334 G HA2 0.158 4.118 3.960 -0.000 0.000 0.314 334 G HA3 0.158 4.118 3.960 -0.000 0.000 0.314 334 G C -3.397 171.541 174.900 0.064 0.000 1.364 334 G CA -1.010 44.132 45.100 0.070 0.000 0.978 334 G HN 0.260 nan 8.290 nan 0.000 0.615 335 P HA 0.427 nan 4.420 nan 0.000 0.268 335 P C -0.051 177.270 177.300 0.035 0.000 1.204 335 P CA -0.078 63.047 63.100 0.042 0.000 0.768 335 P CB 1.221 32.943 31.700 0.035 0.000 0.842 336 V N 0.128 120.061 119.914 0.031 0.000 2.760 336 V HA 0.770 4.890 4.120 -0.000 0.000 0.309 336 V C -0.697 175.408 176.094 0.019 0.000 1.077 336 V CA -0.566 61.749 62.300 0.025 0.000 0.910 336 V CB 2.242 34.081 31.823 0.027 0.000 1.008 336 V HN 0.344 nan 8.190 nan 0.000 0.424 337 S N 4.433 120.142 115.700 0.014 0.000 2.542 337 S HA 0.952 5.422 4.470 -0.000 0.000 0.293 337 S C -0.669 173.936 174.600 0.008 0.000 1.089 337 S CA -0.692 57.514 58.200 0.010 0.000 0.961 337 S CB 1.680 64.886 63.200 0.010 0.000 1.062 337 S HN 1.345 nan 8.310 nan 0.000 0.483 338 L N -0.313 120.913 121.223 0.006 0.000 2.277 338 L HA 0.833 5.173 4.340 -0.000 0.000 0.254 338 L C -0.787 176.085 176.870 0.003 0.000 1.044 338 L CA -0.711 54.132 54.840 0.004 0.000 0.842 338 L CB 0.967 43.028 42.059 0.004 0.000 1.422 338 L HN 0.503 nan 8.230 nan 0.000 0.422 339 E N 0.746 120.947 120.200 0.002 0.000 2.248 339 E HA 0.670 5.020 4.350 -0.000 0.000 0.267 339 E C -1.785 174.816 176.600 0.000 0.000 0.877 339 E CA -0.758 55.642 56.400 0.001 0.000 0.759 339 E CB 2.972 32.672 29.700 0.001 0.000 1.182 339 E HN 0.560 nan 8.360 nan 0.000 0.418 340 L N 1.149 122.372 121.223 -0.001 0.000 2.404 340 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 340 L C 0.458 177.327 176.870 -0.002 0.000 0.980 340 L CA 0.401 55.240 54.840 -0.001 0.000 0.836 340 L CB 1.475 43.533 42.059 -0.002 0.000 1.238 340 L HN 0.725 nan 8.230 nan 0.000 0.408 341 G N 3.214 112.013 108.800 -0.002 0.000 2.225 341 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.267 341 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.267 341 G C 1.064 175.963 174.900 -0.002 0.000 1.024 341 G CA 0.789 45.888 45.100 -0.002 0.000 0.784 341 G HN 2.143 nan 8.290 nan 0.000 0.507 342 G N -2.423 106.376 108.800 -0.001 0.000 2.179 342 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 342 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 342 G C 0.255 175.154 174.900 -0.001 0.000 0.977 342 G CA 1.030 46.130 45.100 -0.001 0.000 0.641 342 G HN 1.159 nan 8.290 nan 0.000 0.533 343 Q N 0.224 120.023 119.800 -0.001 0.000 2.245 343 Q HA 0.512 4.852 4.340 -0.000 0.000 0.256 343 Q C 0.133 176.133 176.000 -0.001 0.000 0.942 343 Q CA -0.560 55.242 55.803 -0.002 0.000 0.896 343 Q CB 1.743 30.480 28.738 -0.003 0.000 1.272 343 Q HN 0.465 nan 8.270 nan 0.000 0.442 344 K N 1.105 121.505 120.400 -0.001 0.000 2.276 344 K HA 0.352 4.672 4.320 -0.000 0.000 0.283 344 K C -0.973 175.626 176.600 -0.001 0.000 1.044 344 K CA -0.277 56.010 56.287 0.000 0.000 0.944 344 K CB 0.660 33.161 32.500 0.002 0.000 1.012 344 K HN 0.306 nan 8.250 nan 0.000 0.472 345 V N 4.976 124.890 119.914 -0.001 0.000 2.407 345 V HA 0.173 4.293 4.120 -0.000 0.000 0.291 345 V C -0.832 175.261 176.094 -0.001 0.000 1.018 345 V CA -0.949 61.349 62.300 -0.003 0.000 0.842 345 V CB 1.539 33.360 31.823 -0.004 0.000 0.996 345 V HN 0.825 nan 8.190 nan 0.000 0.426 346 D N 5.495 125.893 120.400 -0.002 0.000 2.198 346 D HA 0.575 5.215 4.640 -0.000 0.000 0.245 346 D C -0.474 175.826 176.300 0.000 0.000 1.079 346 D CA -0.226 53.775 54.000 0.002 0.000 0.854 346 D CB 2.413 43.214 40.800 0.002 0.000 1.148 346 D HN 0.137 nan 8.370 nan 0.000 0.456 347 L N 0.901 122.129 121.223 0.009 0.000 2.194 347 L HA 0.590 4.930 4.340 -0.000 0.000 0.248 347 L C -0.291 176.596 176.870 0.029 0.000 1.071 347 L CA -1.111 53.737 54.840 0.014 0.000 0.901 347 L CB 1.540 43.610 42.059 0.019 0.000 1.497 347 L HN 0.080 nan 8.230 nan 0.000 0.442 348 V N 0.183 120.127 119.914 0.049 0.000 2.612 348 V HA 0.687 4.807 4.120 -0.000 0.000 0.301 348 V C -0.077 176.111 176.094 0.155 0.000 1.059 348 V CA -0.815 61.532 62.300 0.079 0.000 0.886 348 V CB 1.637 33.491 31.823 0.053 0.000 1.007 348 V HN 0.874 nan 8.190 nan 0.000 0.426 349 A N 5.211 128.116 122.820 0.142 0.000 2.327 349 A HA 0.950 5.270 4.320 -0.000 0.000 0.283 349 A C -0.851 176.880 177.584 0.244 0.000 1.127 349 A CA -0.251 51.877 52.037 0.152 0.000 0.810 349 A CB 0.670 19.711 19.000 0.068 0.000 1.066 349 A HN 1.580 nan 8.150 nan 0.000 0.492 350 Y N -1.186 119.138 120.300 0.041 0.000 2.641 350 Y HA 0.544 5.094 4.550 -0.000 0.000 0.333 350 Y C -0.691 175.238 175.900 0.048 0.000 1.174 350 Y CA -0.839 57.291 58.100 0.049 0.000 1.057 350 Y CB 0.566 39.069 38.460 0.072 0.000 1.322 350 Y HN 0.515 nan 8.280 nan 0.000 0.457 351 D N 0.858 121.186 120.400 -0.120 0.000 2.431 351 D HA 0.154 4.794 4.640 -0.000 0.000 0.235 351 D C -0.420 175.848 176.300 -0.053 0.000 0.980 351 D CA 0.841 54.728 54.000 -0.188 0.000 0.912 351 D CB 0.373 41.143 40.800 -0.050 0.000 1.056 351 D HN 0.573 nan 8.370 nan 0.000 0.494 352 R N -0.739 119.911 120.500 0.251 0.000 2.629 352 R HA 0.527 4.867 4.340 -0.000 0.000 0.266 352 R C -3.272 173.186 176.300 0.263 0.000 1.051 352 R CA -1.720 54.565 56.100 0.309 0.000 0.895 352 R CB 0.113 30.481 30.300 0.113 0.000 1.246 352 R HN -0.290 nan 8.270 nan 0.000 0.459 353 P HA 0.197 nan 4.420 nan 0.000 0.271 353 P C -0.398 176.886 177.300 -0.026 0.000 1.218 353 P CA -0.346 62.700 63.100 -0.089 0.000 0.780 353 P CB 0.704 32.173 31.700 -0.385 0.000 0.901 354 D N 1.591 121.999 120.400 0.013 0.000 2.277 354 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 354 D C 0.883 177.186 176.300 0.005 0.000 0.962 354 D CA 1.125 55.138 54.000 0.021 0.000 0.865 354 D CB 0.354 41.179 40.800 0.041 0.000 0.939 354 D HN 0.498 nan 8.370 nan 0.000 0.510 355 R N -0.412 120.095 120.500 0.012 0.000 2.829 355 R HA 0.396 4.736 4.340 -0.000 0.000 0.283 355 R C -1.633 174.707 176.300 0.066 0.000 1.013 355 R CA -0.833 55.275 56.100 0.014 0.000 0.848 355 R CB 0.397 30.707 30.300 0.018 0.000 1.291 355 R HN -0.026 nan 8.270 nan 0.000 0.496 356 I N -0.855 119.746 120.570 0.053 0.000 2.828 356 I HA 0.768 4.938 4.170 -0.000 0.000 0.302 356 I C -0.612 175.604 176.117 0.165 0.000 1.101 356 I CA -0.849 60.516 61.300 0.108 0.000 1.031 356 I CB 2.591 40.557 38.000 -0.056 0.000 1.231 356 I HN 0.888 nan 8.210 nan 0.000 0.427 357 S N 4.888 120.770 115.700 0.302 0.000 2.677 357 S HA 0.744 5.214 4.470 -0.000 0.000 0.304 357 S C -0.730 174.025 174.600 0.259 0.000 1.108 357 S CA -0.837 57.512 58.200 0.248 0.000 0.944 357 S CB 2.054 65.436 63.200 0.303 0.000 1.127 357 S HN 0.552 nan 8.310 nan 0.000 0.511 358 I N 1.788 122.501 120.570 0.238 0.000 2.404 358 I HA 0.504 4.674 4.170 -0.000 0.000 0.293 358 I C -0.843 175.476 176.117 0.336 0.000 0.992 358 I CA -0.953 60.540 61.300 0.322 0.000 1.149 358 I CB 1.347 39.521 38.000 0.291 0.000 1.315 358 I HN 0.519 nan 8.210 nan 0.000 0.446 359 V N 8.221 128.355 119.914 0.367 0.000 2.444 359 V HA 0.406 4.526 4.120 -0.000 0.000 0.294 359 V C -2.116 174.119 176.094 0.234 0.000 1.022 359 V CA -1.410 61.056 62.300 0.275 0.000 0.850 359 V CB 2.144 34.101 31.823 0.223 0.000 0.992 359 V HN 0.603 nan 8.190 nan 0.000 0.426 360 P HA 0.276 nan 4.420 nan 0.000 0.276 360 P C -0.490 176.997 177.300 0.312 0.000 1.244 360 P CA -0.217 62.988 63.100 0.174 0.000 0.801 360 P CB 1.313 33.047 31.700 0.057 0.000 1.006 361 D N 0.311 120.852 120.400 0.234 0.000 2.360 361 D HA 0.099 4.739 4.640 -0.000 0.000 0.210 361 D C 0.302 176.723 176.300 0.202 0.000 1.047 361 D CA 0.242 54.376 54.000 0.223 0.000 0.854 361 D CB -0.018 40.879 40.800 0.160 0.000 0.936 361 D HN 0.229 nan 8.370 nan 0.000 0.514 362 L N -0.435 120.895 121.223 0.179 0.000 2.580 362 L HA 0.509 4.849 4.340 -0.000 0.000 0.266 362 L C -1.528 175.396 176.870 0.091 0.000 0.955 362 L CA -0.028 54.875 54.840 0.106 0.000 0.886 362 L CB 1.996 44.112 42.059 0.096 0.000 1.263 362 L HN 0.004 nan 8.230 nan 0.000 0.406 363 T N 4.013 118.610 114.554 0.071 0.000 2.661 363 T HA 0.617 4.967 4.350 -0.000 0.000 0.305 363 T C -1.581 173.161 174.700 0.069 0.000 1.441 363 T CA -0.261 61.868 62.100 0.049 0.000 0.999 363 T CB 1.472 70.326 68.868 -0.024 0.000 1.650 363 T HN 0.626 nan 8.240 nan 0.000 0.489 364 I N -0.422 120.171 120.570 0.039 0.000 3.108 364 I HA 1.012 5.182 4.170 -0.000 0.000 0.312 364 I C -0.842 175.302 176.117 0.046 0.000 1.095 364 I CA -1.374 59.965 61.300 0.066 0.000 1.000 364 I CB 1.970 39.999 38.000 0.049 0.000 1.229 364 I HN 0.817 nan 8.210 nan 0.000 0.454 365 A N 2.553 125.427 122.820 0.090 0.000 2.556 365 A HA 0.876 5.196 4.320 -0.000 0.000 0.294 365 A C -1.054 176.601 177.584 0.117 0.000 1.091 365 A CA -0.881 51.243 52.037 0.144 0.000 0.704 365 A CB 1.911 21.117 19.000 0.343 0.000 1.300 365 A HN 0.787 nan 8.150 nan 0.000 0.406 366 R N 0.977 121.528 120.500 0.086 0.000 2.628 366 R HA 0.512 4.852 4.340 -0.000 0.000 0.288 366 R C -0.190 176.134 176.300 0.040 0.000 0.980 366 R CA -0.685 55.441 56.100 0.045 0.000 0.891 366 R CB 1.856 32.147 30.300 -0.015 0.000 1.188 366 R HN 0.843 nan 8.270 nan 0.000 0.450 367 I N -0.737 119.858 120.570 0.041 0.000 2.993 367 I HA 0.572 4.742 4.170 -0.000 0.000 0.286 367 I C 0.366 176.477 176.117 -0.010 0.000 1.215 367 I CA 0.169 61.487 61.300 0.031 0.000 1.393 367 I CB 0.538 38.563 38.000 0.043 0.000 1.371 367 I HN 0.715 nan 8.210 nan 0.000 0.602 368 G N 1.615 110.410 108.800 -0.009 0.000 2.490 368 G HA2 0.564 4.524 3.960 -0.000 0.000 0.308 368 G HA3 0.564 4.524 3.960 -0.000 0.000 0.308 368 G C -0.236 174.656 174.900 -0.012 0.000 1.286 368 G CA -0.077 45.007 45.100 -0.026 0.000 0.825 368 G HN 1.433 nan 8.290 nan 0.000 0.479 369 G N 0.239 109.030 108.800 -0.015 0.000 2.574 369 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.286 369 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.286 369 G C 0.712 175.616 174.900 0.006 0.000 1.212 369 G CA 1.237 46.334 45.100 -0.005 0.000 0.979 369 G HN 2.251 nan 8.290 nan 0.000 0.557 370 N N 0.101 118.806 118.700 0.009 0.000 2.735 370 N HA -0.114 4.626 4.740 -0.000 0.000 0.248 370 N C 1.336 176.857 175.510 0.018 0.000 1.083 370 N CA 1.780 54.839 53.050 0.015 0.000 0.703 370 N CB -1.235 37.265 38.487 0.022 0.000 1.005 370 N HN 2.665 nan 8.380 nan 0.000 0.550 371 G N -2.188 106.621 108.800 0.014 0.000 2.199 371 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.254 371 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.254 371 G C 0.395 175.308 174.900 0.021 0.000 0.982 371 G CA 0.498 45.608 45.100 0.017 0.000 0.632 371 G HN 0.785 nan 8.290 nan 0.000 0.529 372 G N 0.106 108.920 108.800 0.023 0.000 2.528 372 G HA2 0.639 4.599 3.960 -0.000 0.000 0.289 372 G HA3 0.639 4.599 3.960 -0.000 0.000 0.289 372 G C -0.426 174.487 174.900 0.021 0.000 1.192 372 G CA -0.182 44.937 45.100 0.032 0.000 0.921 372 G HN 0.210 nan 8.290 nan 0.000 0.512 373 P HA 0.195 nan 4.420 nan 0.000 0.255 373 P C -0.015 177.282 177.300 -0.005 0.000 1.248 373 P CA 0.251 63.361 63.100 0.018 0.000 0.807 373 P CB 0.385 32.106 31.700 0.034 0.000 1.150 374 I N 3.611 124.164 120.570 -0.028 0.000 2.354 374 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 374 I C -2.141 173.940 176.117 -0.060 0.000 1.007 374 I CA -2.769 58.488 61.300 -0.072 0.000 1.167 374 I CB 2.040 39.937 38.000 -0.171 0.000 1.320 374 I HN -0.172 nan 8.210 nan 0.000 0.458 375 P HA 0.142 nan 4.420 nan 0.000 0.272 375 P C -0.748 176.528 177.300 -0.041 0.000 1.230 375 P CA -0.459 62.621 63.100 -0.034 0.000 0.788 375 P CB 0.865 32.551 31.700 -0.023 0.000 0.949 376 K N 0.380 120.762 120.400 -0.030 0.000 2.380 376 K HA 0.238 4.558 4.320 -0.000 0.000 0.267 376 K C -0.311 176.276 176.600 -0.022 0.000 0.990 376 K CA -0.252 56.021 56.287 -0.024 0.000 0.946 376 K CB 0.229 32.715 32.500 -0.023 0.000 0.937 376 K HN 0.207 nan 8.250 nan 0.000 0.491 377 V N 5.110 125.019 119.914 -0.010 0.000 2.326 377 V HA 0.212 4.332 4.120 -0.000 0.000 0.281 377 V C -1.842 174.267 176.094 0.025 0.000 1.015 377 V CA -1.728 60.567 62.300 -0.009 0.000 0.823 377 V CB 1.072 32.883 31.823 -0.019 0.000 1.009 377 V HN 0.773 nan 8.190 nan 0.000 0.436 378 P HA 0.545 nan 4.420 nan 0.000 0.279 378 P C -0.924 176.400 177.300 0.040 0.000 1.282 378 P CA -0.537 62.591 63.100 0.047 0.000 0.788 378 P CB 1.674 33.373 31.700 -0.003 0.000 1.139 379 A N 0.212 123.076 122.820 0.073 0.000 2.381 379 A HA 0.469 4.789 4.320 -0.000 0.000 0.299 379 A C -0.717 176.713 177.584 -0.256 0.000 1.049 379 A CA -0.434 51.526 52.037 -0.128 0.000 0.715 379 A CB 1.245 20.183 19.000 -0.104 0.000 1.222 379 A HN 0.456 nan 8.150 nan 0.000 0.428 380 Q N 1.503 121.065 119.800 -0.398 0.000 2.271 380 Q HA 0.745 5.085 4.340 -0.000 0.000 0.258 380 Q C -1.777 173.881 176.000 -0.570 0.000 0.936 380 Q CA 0.019 55.616 55.803 -0.344 0.000 0.909 380 Q CB 0.557 29.175 28.738 -0.201 0.000 1.253 380 Q HN 0.523 nan 8.270 nan 0.000 0.440 381 F N 1.226 121.023 119.950 -0.256 0.000 2.561 381 F HA 0.577 5.104 4.527 -0.000 0.000 0.321 381 F C -0.001 175.635 175.800 -0.274 0.000 1.065 381 F CA -0.695 57.153 58.000 -0.252 0.000 0.934 381 F CB 2.236 41.019 39.000 -0.361 0.000 1.215 381 F HN 0.464 nan 8.300 nan 0.000 0.471 382 E N 0.675 121.052 120.200 0.296 0.000 2.308 382 E HA 0.613 4.963 4.350 -0.000 0.000 0.275 382 E C -1.424 175.536 176.600 0.600 0.000 0.890 382 E CA -1.102 55.548 56.400 0.417 0.000 0.754 382 E CB 2.382 32.217 29.700 0.224 0.000 1.207 382 E HN 0.638 nan 8.360 nan 0.000 0.426 383 A N 4.485 127.685 122.820 0.634 0.000 2.310 383 A HA 0.434 4.754 4.320 -0.000 0.000 0.300 383 A C -0.229 177.515 177.584 0.267 0.000 1.269 383 A CA -0.377 51.867 52.037 0.344 0.000 0.909 383 A CB 0.035 19.098 19.000 0.105 0.000 1.144 383 A HN 0.421 nan 8.150 nan 0.000 0.540 384 M N 2.517 122.249 119.600 0.219 0.000 2.318 384 M HA 0.428 4.908 4.480 -0.000 0.000 0.347 384 M C 0.627 176.893 176.300 -0.056 0.000 1.175 384 M CA -0.419 54.928 55.300 0.079 0.000 1.075 384 M CB 1.051 33.673 32.600 0.037 0.000 1.614 384 M HN 0.689 nan 8.290 nan 0.000 0.456 385 G N 1.634 110.322 108.800 -0.186 0.000 2.410 385 G HA2 0.682 4.642 3.960 -0.000 0.000 0.330 385 G HA3 0.682 4.642 3.960 -0.000 0.000 0.330 385 G C -1.907 172.673 174.900 -0.534 0.000 1.142 385 G CA -0.369 44.521 45.100 -0.349 0.000 0.902 385 G HN 0.719 nan 8.290 nan 0.000 0.491 386 W N -0.454 120.782 121.300 -0.107 0.000 3.062 386 W HA 0.615 5.275 4.660 -0.000 0.000 0.336 386 W C -0.830 175.650 176.519 -0.064 0.000 1.224 386 W CA -0.815 56.496 57.345 -0.057 0.000 1.159 386 W CB 1.814 31.253 29.460 -0.036 0.000 1.454 386 W HN 0.234 nan 8.180 nan 0.000 0.569 387 L N 2.651 124.014 121.223 0.234 0.000 2.349 387 L HA 0.297 4.637 4.340 -0.000 0.000 0.278 387 L C 0.890 177.838 176.870 0.130 0.000 0.996 387 L CA -0.821 54.101 54.840 0.137 0.000 0.825 387 L CB 1.431 43.554 42.059 0.108 0.000 1.243 387 L HN 0.538 nan 8.230 nan 0.000 0.412 388 N N 2.480 121.230 118.700 0.084 0.000 2.089 388 N HA -0.178 4.562 4.740 -0.000 0.000 0.198 388 N C 0.959 176.497 175.510 0.047 0.000 1.017 388 N CA 1.484 54.562 53.050 0.047 0.000 0.880 388 N CB 0.007 38.510 38.487 0.027 0.000 1.042 388 N HN 0.939 nan 8.380 nan 0.000 0.446 389 G N -0.453 108.381 108.800 0.056 0.000 2.472 389 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.205 389 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.205 389 G C -1.915 173.007 174.900 0.036 0.000 1.270 389 G CA 0.030 45.161 45.100 0.051 0.000 0.974 389 G HN 0.178 nan 8.290 nan 0.000 0.542 390 P HA 0.059 nan 4.420 nan 0.000 0.214 390 P C 0.865 178.174 177.300 0.014 0.000 1.162 390 P CA 2.017 65.130 63.100 0.021 0.000 0.874 390 P CB -0.200 31.511 31.700 0.019 0.000 0.784 391 D N -0.820 119.586 120.400 0.010 0.000 2.413 391 D HA 0.096 4.736 4.640 -0.000 0.000 0.237 391 D C 1.354 177.654 176.300 0.000 0.000 1.171 391 D CA 0.422 54.423 54.000 0.003 0.000 0.839 391 D CB -0.467 40.332 40.800 -0.002 0.000 0.950 391 D HN 0.264 nan 8.370 nan 0.000 0.499 392 G N 2.937 111.740 108.800 0.005 0.000 4.230 392 G HA2 -0.520 3.440 3.960 -0.000 0.000 0.340 392 G HA3 -0.520 3.440 3.960 -0.000 0.000 0.340 392 G C 0.621 175.517 174.900 -0.005 0.000 1.315 392 G CA 1.743 46.844 45.100 0.002 0.000 1.033 392 G HN 0.803 nan 8.290 nan 0.000 0.741 393 Q N -0.867 118.923 119.800 -0.016 0.000 2.461 393 Q HA -0.184 4.156 4.340 -0.000 0.000 0.273 393 Q C -1.929 174.044 176.000 -0.045 0.000 1.163 393 Q CA 1.221 57.006 55.803 -0.030 0.000 0.929 393 Q CB -2.772 25.948 28.738 -0.030 0.000 1.334 393 Q HN 0.570 nan 8.270 nan 0.000 0.499 394 P HA 0.020 nan 4.420 nan 0.000 0.140 394 P C 0.575 177.822 177.300 -0.087 0.000 0.817 394 P CA 2.280 65.350 63.100 -0.050 0.000 1.248 394 P CB -0.610 31.067 31.700 -0.038 0.000 1.542 395 G N 0.845 109.567 108.800 -0.129 0.000 2.842 395 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.242 395 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.242 395 G C 0.007 174.802 174.900 -0.175 0.000 1.135 395 G CA -0.287 44.694 45.100 -0.200 0.000 1.048 395 G HN 0.685 nan 8.290 nan 0.000 0.530 396 T N -2.609 111.846 114.554 -0.165 0.000 2.654 396 T HA 0.735 5.085 4.350 -0.000 0.000 0.289 396 T C 0.934 175.558 174.700 -0.128 0.000 1.062 396 T CA 0.172 62.195 62.100 -0.127 0.000 1.041 396 T CB 1.605 70.425 68.868 -0.080 0.000 1.417 396 T HN 1.549 nan 8.240 nan 0.000 0.510 397 G N 0.051 108.797 108.800 -0.090 0.000 3.541 397 G HA2 0.430 4.390 3.960 -0.000 0.000 0.253 397 G HA3 0.430 4.390 3.960 -0.000 0.000 0.253 397 G C -0.030 174.849 174.900 -0.034 0.000 1.017 397 G CA 0.065 45.124 45.100 -0.069 0.000 1.832 397 G HN 0.896 nan 8.290 nan 0.000 0.649 398 D N -0.733 119.652 120.400 -0.025 0.000 2.520 398 D HA -0.013 4.627 4.640 -0.000 0.000 0.386 398 D C -0.077 176.245 176.300 0.037 0.000 1.267 398 D CA -0.378 53.627 54.000 0.008 0.000 0.958 398 D CB 0.180 40.981 40.800 0.000 0.000 1.462 398 D HN 0.220 nan 8.370 nan 0.000 0.438 399 D N 0.385 120.804 120.400 0.031 0.000 2.362 399 D HA 0.226 4.866 4.640 -0.000 0.000 0.238 399 D C 0.254 176.685 176.300 0.220 0.000 1.212 399 D CA 0.553 54.616 54.000 0.104 0.000 0.902 399 D CB 0.850 41.676 40.800 0.043 0.000 1.180 399 D HN 0.198 nan 8.370 nan 0.000 0.445 400 I N 1.113 121.834 120.570 0.253 0.000 2.339 400 I HA 0.393 4.562 4.170 -0.000 0.000 0.290 400 I C 0.120 176.365 176.117 0.213 0.000 0.994 400 I CA -0.991 60.431 61.300 0.203 0.000 1.191 400 I CB 1.499 39.568 38.000 0.115 0.000 1.343 400 I HN 0.317 nan 8.210 nan 0.000 0.458 401 A N 6.081 128.942 122.820 0.069 0.000 2.401 401 A HA 0.461 4.781 4.320 -0.000 0.000 0.259 401 A C 0.351 177.768 177.584 -0.278 0.000 1.103 401 A CA -0.090 51.733 52.037 -0.357 0.000 0.789 401 A CB 0.434 19.184 19.000 -0.415 0.000 1.035 401 A HN 0.740 nan 8.150 nan 0.000 0.491 402 L N 1.714 122.713 121.223 -0.373 0.000 2.701 402 L HA 0.426 4.766 4.340 -0.000 0.000 0.238 402 L C 1.242 177.985 176.870 -0.212 0.000 1.106 402 L CA 1.382 56.093 54.840 -0.214 0.000 0.898 402 L CB -0.616 41.361 42.059 -0.135 0.000 1.188 402 L HN 1.366 nan 8.230 nan 0.000 0.508 403 G N -0.380 108.257 108.800 -0.273 0.000 2.631 403 G HA2 0.130 4.090 3.960 -0.000 0.000 0.504 403 G HA3 0.130 4.090 3.960 -0.000 0.000 0.504 403 G C -0.328 174.502 174.900 -0.117 0.000 1.306 403 G CA -0.633 44.331 45.100 -0.227 0.000 0.897 403 G HN 0.424 nan 8.290 nan 0.000 0.520 404 A N -0.464 122.298 122.820 -0.097 0.000 2.401 404 A HA 0.731 5.051 4.320 -0.000 0.000 0.259 404 A C -0.451 177.111 177.584 -0.036 0.000 1.103 404 A CA 0.308 52.370 52.037 0.041 0.000 0.789 404 A CB 0.102 19.137 19.000 0.059 0.000 1.035 404 A HN 1.269 nan 8.150 nan 0.000 0.491 405 F N 1.646 121.610 119.950 0.022 0.000 2.508 405 F HA 0.516 5.043 4.527 -0.000 0.000 0.325 405 F C -2.000 173.851 175.800 0.085 0.000 1.090 405 F CA -2.110 55.907 58.000 0.028 0.000 0.945 405 F CB 1.704 40.696 39.000 -0.013 0.000 1.156 405 F HN 0.355 nan 8.300 nan 0.000 0.463 406 P HA 0.467 nan 4.420 nan 0.000 0.269 406 P C -1.198 176.208 177.300 0.177 0.000 1.209 406 P CA -0.058 63.169 63.100 0.210 0.000 0.776 406 P CB 0.858 32.649 31.700 0.151 0.000 0.876 407 A N 1.174 124.088 122.820 0.157 0.000 2.586 407 A HA 0.628 4.948 4.320 -0.000 0.000 0.290 407 A C -1.013 176.492 177.584 -0.131 0.000 1.086 407 A CA -0.514 51.474 52.037 -0.081 0.000 0.665 407 A CB 0.788 19.573 19.000 -0.360 0.000 1.279 407 A HN 0.317 nan 8.150 nan 0.000 0.423 408 S N -0.025 115.525 115.700 -0.250 0.000 2.480 408 S HA 0.578 5.048 4.470 -0.000 0.000 0.286 408 S C -1.269 173.146 174.600 -0.308 0.000 1.180 408 S CA 0.003 58.129 58.200 -0.123 0.000 1.075 408 S CB 0.124 63.282 63.200 -0.070 0.000 0.996 408 S HN 0.457 nan 8.310 nan 0.000 0.487 409 W N 1.373 122.696 121.300 0.039 0.000 2.606 409 W HA 0.737 5.397 4.660 0.000 0.000 0.332 409 W C -0.042 176.493 176.519 0.026 0.000 1.052 409 W CA -0.541 56.823 57.345 0.032 0.000 1.223 409 W CB 1.400 30.896 29.460 0.060 0.000 1.383 409 W HN 0.745 nan 8.180 nan 0.000 0.524 410 A N 1.162 124.119 122.820 0.227 0.000 2.606 410 A HA 0.856 5.176 4.320 -0.000 0.000 0.293 410 A C -0.654 177.001 177.584 0.117 0.000 1.082 410 A CA -0.744 51.377 52.037 0.142 0.000 0.685 410 A CB 1.288 20.326 19.000 0.063 0.000 1.284 410 A HN 0.552 nan 8.150 nan 0.000 0.408 411 T N -1.404 113.215 114.554 0.108 0.000 2.924 411 T HA 0.798 5.148 4.350 -0.000 0.000 0.291 411 T C -0.977 173.755 174.700 0.054 0.000 1.045 411 T CA -0.421 61.726 62.100 0.080 0.000 1.015 411 T CB 1.934 70.895 68.868 0.155 0.000 1.103 411 T HN 0.840 nan 8.240 nan 0.000 0.496 412 D N -0.275 120.143 120.400 0.031 0.000 2.671 412 D HA 0.265 4.905 4.640 -0.000 0.000 0.273 412 D C -1.087 175.231 176.300 0.030 0.000 1.264 412 D CA -0.573 53.441 54.000 0.024 0.000 0.788 412 D CB 1.454 42.252 40.800 -0.004 0.000 1.324 412 D HN 0.521 nan 8.370 nan 0.000 0.424 413 N N 1.304 120.025 118.700 0.034 0.000 2.454 413 N HA 0.043 4.783 4.740 -0.000 0.000 0.254 413 N C 0.545 176.076 175.510 0.035 0.000 1.228 413 N CA 0.053 53.137 53.050 0.056 0.000 0.900 413 N CB 0.412 38.930 38.487 0.051 0.000 1.089 413 N HN 0.389 nan 8.380 nan 0.000 0.449 414 F N 1.490 121.392 119.950 -0.080 0.000 2.186 414 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 414 F C 0.509 176.240 175.800 -0.115 0.000 1.090 414 F CA 1.018 58.922 58.000 -0.160 0.000 1.307 414 F CB 0.274 39.128 39.000 -0.244 0.000 1.019 414 F HN 0.590 nan 8.300 nan 0.000 0.489 415 D N -2.713 117.662 120.400 -0.041 0.000 2.664 415 D HA 0.140 4.780 4.640 -0.000 0.000 0.292 415 D C 0.588 176.879 176.300 -0.014 0.000 1.214 415 D CA -0.511 53.432 54.000 -0.095 0.000 0.932 415 D CB 0.068 40.861 40.800 -0.012 0.000 1.420 415 D HN -0.000 nan 8.370 nan 0.000 0.471 416 E N -0.488 119.700 120.200 -0.019 0.000 2.097 416 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 416 E C 1.342 177.959 176.600 0.028 0.000 1.000 416 E CA 1.263 57.663 56.400 0.000 0.000 0.804 416 E CB 0.020 29.717 29.700 -0.004 0.000 0.740 416 E HN 0.420 nan 8.360 nan 0.000 0.454 417 E N 0.538 120.766 120.200 0.046 0.000 2.058 417 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 417 E C 2.111 178.754 176.600 0.071 0.000 0.997 417 E CA 1.182 57.617 56.400 0.059 0.000 0.801 417 E CB -0.374 29.370 29.700 0.074 0.000 0.746 417 E HN 0.271 nan 8.360 nan 0.000 0.450 418 A N 1.358 124.234 122.820 0.092 0.000 1.933 418 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 418 A C 2.139 179.775 177.584 0.086 0.000 1.175 418 A CA 1.780 53.880 52.037 0.104 0.000 0.628 418 A CB -0.498 18.585 19.000 0.138 0.000 0.814 418 A HN 0.329 nan 8.150 nan 0.000 0.444 419 E N 0.114 120.352 120.200 0.064 0.000 2.106 419 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 419 E C 1.872 178.506 176.600 0.058 0.000 0.984 419 E CA 1.369 57.801 56.400 0.053 0.000 0.806 419 E CB -0.102 29.615 29.700 0.027 0.000 0.750 419 E HN 0.650 nan 8.360 nan 0.000 0.458 420 K N -0.161 120.269 120.400 0.051 0.000 2.057 420 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 420 K C 2.052 178.687 176.600 0.059 0.000 1.049 420 K CA 1.278 57.593 56.287 0.047 0.000 0.931 420 K CB -0.075 32.448 32.500 0.038 0.000 0.714 420 K HN 0.222 nan 8.250 nan 0.000 0.440 421 M N 0.606 120.245 119.600 0.065 0.000 2.562 421 M HA -0.047 4.433 4.480 -0.000 0.000 0.257 421 M C -0.008 176.361 176.300 0.115 0.000 1.099 421 M CA 1.137 56.476 55.300 0.066 0.000 1.099 421 M CB -0.507 32.128 32.600 0.058 0.000 1.427 421 M HN 0.210 nan 8.290 nan 0.000 0.489 422 Q N 0.319 120.200 119.800 0.135 0.000 2.478 422 Q HA -0.221 4.119 4.340 -0.000 0.000 0.286 422 Q C 0.181 176.333 176.000 0.254 0.000 1.299 422 Q CA 0.361 56.278 55.803 0.190 0.000 0.826 422 Q CB -1.302 27.597 28.738 0.268 0.000 1.199 422 Q HN 0.391 nan 8.270 nan 0.000 0.451 423 D N 0.269 120.782 120.400 0.187 0.000 2.116 423 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 423 D C 1.829 178.250 176.300 0.202 0.000 0.998 423 D CA 1.650 55.768 54.000 0.198 0.000 0.836 423 D CB -0.209 40.682 40.800 0.152 0.000 0.951 423 D HN 0.584 nan 8.370 nan 0.000 0.449 424 A N 0.727 123.636 122.820 0.149 0.000 2.032 424 A HA -0.241 4.079 4.320 -0.000 0.000 0.221 424 A C 2.053 179.698 177.584 0.100 0.000 1.165 424 A CA 1.875 53.989 52.037 0.127 0.000 0.645 424 A CB -0.529 18.523 19.000 0.088 0.000 0.807 424 A HN 0.238 nan 8.150 nan 0.000 0.453 425 K N -2.015 118.427 120.400 0.071 0.000 2.116 425 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 425 K C 1.157 177.628 176.600 -0.216 0.000 1.052 425 K CA 1.353 57.577 56.287 -0.105 0.000 0.952 425 K CB -0.147 32.224 32.500 -0.215 0.000 0.729 425 K HN 0.553 nan 8.250 nan 0.000 0.446 426 Y N -0.961 119.383 120.300 0.072 0.000 2.462 426 Y HA 0.332 4.882 4.550 -0.000 0.000 0.253 426 Y C 1.800 177.754 175.900 0.091 0.000 1.095 426 Y CA 0.164 58.305 58.100 0.068 0.000 1.283 426 Y CB 0.466 38.962 38.460 0.059 0.000 1.138 426 Y HN 0.091 nan 8.280 nan 0.000 0.522 427 A N 0.303 123.285 122.820 0.271 0.000 2.167 427 A HA 0.467 4.787 4.320 -0.000 0.000 0.214 427 A C 1.465 179.243 177.584 0.324 0.000 1.151 427 A CA 1.291 53.499 52.037 0.286 0.000 0.735 427 A CB -0.810 18.366 19.000 0.293 0.000 0.802 427 A HN 0.480 nan 8.150 nan 0.000 0.467 428 G N -1.830 107.083 108.800 0.188 0.000 2.316 428 G HA2 0.414 4.374 3.960 -0.000 0.000 0.349 428 G HA3 0.414 4.374 3.960 -0.000 0.000 0.349 428 G C -0.420 174.454 174.900 -0.045 0.000 1.274 428 G CA -0.065 45.004 45.100 -0.052 0.000 1.018 428 G HN 1.616 nan 8.290 nan 0.000 0.486 429 S N -1.523 113.971 115.700 -0.344 0.000 2.579 429 S HA 0.796 5.266 4.470 -0.000 0.000 0.272 429 S C -0.902 173.619 174.600 -0.132 0.000 1.141 429 S CA -0.370 57.778 58.200 -0.087 0.000 0.843 429 S CB 2.224 65.397 63.200 -0.046 0.000 1.122 429 S HN 1.735 nan 8.310 nan 0.000 0.468 430 I N 1.867 122.525 120.570 0.146 0.000 2.474 430 I HA 0.495 4.665 4.170 -0.000 0.000 0.294 430 I C -0.936 175.249 176.117 0.113 0.000 1.005 430 I CA -0.619 60.792 61.300 0.185 0.000 1.113 430 I CB 1.479 39.678 38.000 0.332 0.000 1.289 430 I HN 0.995 nan 8.210 nan 0.000 0.436 431 D N 4.767 125.199 120.400 0.053 0.000 2.506 431 D HA 0.079 4.719 4.640 -0.000 0.000 0.272 431 D C 0.620 176.988 176.300 0.112 0.000 1.214 431 D CA -0.314 53.722 54.000 0.060 0.000 1.067 431 D CB 0.380 41.190 40.800 0.016 0.000 1.117 431 D HN 0.595 nan 8.370 nan 0.000 0.578 432 D N -1.672 118.810 120.400 0.136 0.000 2.350 432 D HA -0.154 4.486 4.640 -0.000 0.000 0.216 432 D C 1.225 177.668 176.300 0.239 0.000 0.968 432 D CA 1.265 55.407 54.000 0.236 0.000 0.894 432 D CB -0.662 40.236 40.800 0.163 0.000 0.909 432 D HN 0.500 nan 8.370 nan 0.000 0.520 433 T N -4.524 110.063 114.554 0.054 0.000 3.086 433 T HA 0.414 4.763 4.350 -0.000 0.000 0.250 433 T C 1.630 176.156 174.700 -0.290 0.000 1.074 433 T CA 0.355 62.450 62.100 -0.008 0.000 0.988 433 T CB 0.189 69.049 68.868 -0.014 0.000 0.988 433 T HN 0.309 nan 8.240 nan 0.000 0.530 434 G N 1.005 109.373 108.800 -0.719 0.000 2.141 434 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.242 434 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.242 434 G C -0.229 174.380 174.900 -0.485 0.000 0.982 434 G CA 0.036 44.291 45.100 -1.409 0.000 0.662 434 G HN 0.730 nan 8.290 nan 0.000 0.527 435 L N 1.140 122.232 121.223 -0.217 0.000 2.260 435 L HA 0.790 5.130 4.340 -0.000 0.000 0.289 435 L C -0.052 176.854 176.870 0.061 0.000 1.057 435 L CA -1.380 53.426 54.840 -0.057 0.000 0.811 435 L CB 0.401 42.423 42.059 -0.062 0.000 1.184 435 L HN 0.164 nan 8.230 nan 0.000 0.429 436 F N 4.370 124.340 119.950 0.034 0.000 2.405 436 F HA 0.500 5.027 4.527 0.000 0.000 0.355 436 F C -0.007 175.819 175.800 0.044 0.000 1.121 436 F CA -0.134 57.917 58.000 0.085 0.000 1.112 436 F CB 0.938 40.072 39.000 0.223 0.000 1.126 436 F HN 0.507 nan 8.300 nan 0.000 0.481 437 T N 8.695 122.822 114.554 -0.713 0.000 2.756 437 T HA 0.339 4.689 4.350 -0.000 0.000 0.290 437 T C -2.470 171.774 174.700 -0.760 0.000 0.985 437 T CA -1.200 60.596 62.100 -0.507 0.000 0.955 437 T CB 1.213 69.911 68.868 -0.285 0.000 0.930 437 T HN 0.401 nan 8.240 nan 0.000 0.451 438 P HA 0.394 nan 4.420 nan 0.000 0.275 438 P C -0.478 176.769 177.300 -0.088 0.000 1.266 438 P CA -0.493 62.533 63.100 -0.124 0.000 0.793 438 P CB 0.715 32.487 31.700 0.120 0.000 1.074 439 A N 0.345 123.175 122.820 0.015 0.000 2.240 439 A HA 0.337 4.657 4.320 -0.000 0.000 0.292 439 A C 0.154 177.756 177.584 0.030 0.000 1.121 439 A CA -0.282 51.770 52.037 0.026 0.000 0.851 439 A CB -0.485 18.565 19.000 0.083 0.000 1.167 439 A HN 0.479 nan 8.150 nan 0.000 0.503 440 E N -0.278 119.943 120.200 0.035 0.000 2.398 440 E HA 0.445 4.795 4.350 -0.000 0.000 0.263 440 E C 0.502 177.125 176.600 0.038 0.000 1.046 440 E CA 0.838 57.256 56.400 0.030 0.000 0.908 440 E CB 0.693 30.412 29.700 0.032 0.000 0.963 440 E HN 0.783 nan 8.360 nan 0.000 0.431 441 A N 1.680 124.517 122.820 0.029 0.000 2.259 441 A HA 0.737 5.057 4.320 -0.000 0.000 0.278 441 A C 0.571 178.180 177.584 0.041 0.000 1.107 441 A CA 0.273 52.330 52.037 0.033 0.000 0.828 441 A CB -0.030 18.982 19.000 0.019 0.000 1.111 441 A HN 0.833 nan 8.150 nan 0.000 0.498 442 G N -1.285 107.544 108.800 0.049 0.000 2.699 442 G HA2 0.075 4.035 3.960 -0.000 0.000 0.686 442 G HA3 0.075 4.035 3.960 -0.000 0.000 0.686 442 G C -3.135 171.786 174.900 0.036 0.000 1.301 442 G CA -0.504 44.625 45.100 0.047 0.000 0.816 442 G HN 0.743 nan 8.290 nan 0.000 0.595 443 P HA 0.230 nan 4.420 nan 0.000 0.268 443 P C -0.344 176.961 177.300 0.008 0.000 1.204 443 P CA -0.283 62.825 63.100 0.013 0.000 0.768 443 P CB 0.604 32.310 31.700 0.009 0.000 0.842 444 N N 4.072 122.766 118.700 -0.009 0.000 2.501 444 N HA 0.175 4.915 4.740 -0.000 0.000 0.245 444 N C -1.701 173.789 175.510 -0.033 0.000 0.974 444 N CA -2.628 50.413 53.050 -0.014 0.000 0.941 444 N CB 0.957 39.425 38.487 -0.033 0.000 1.122 444 N HN 0.171 nan 8.380 nan 0.000 0.507 445 P HA -0.115 nan 4.420 nan 0.000 0.223 445 P C 0.405 177.693 177.300 -0.019 0.000 1.144 445 P CA 1.113 64.207 63.100 -0.011 0.000 0.783 445 P CB 0.597 32.300 31.700 0.005 0.000 0.771 446 E N -0.577 119.610 120.200 -0.022 0.000 2.358 446 E HA -0.011 4.339 4.350 -0.000 0.000 0.195 446 E C 0.829 177.357 176.600 -0.120 0.000 1.010 446 E CA 0.263 56.653 56.400 -0.016 0.000 0.856 446 E CB 0.098 29.851 29.700 0.088 0.000 0.795 446 E HN 0.375 nan 8.360 nan 0.000 0.504 447 R N 1.400 121.777 120.500 -0.206 0.000 2.573 447 R HA 0.279 4.619 4.340 -0.000 0.000 0.272 447 R C -2.404 173.822 176.300 -0.123 0.000 1.009 447 R CA -2.118 53.828 56.100 -0.258 0.000 1.059 447 R CB 0.288 30.374 30.300 -0.357 0.000 1.112 447 R HN -0.075 nan 8.270 nan 0.000 0.517 448 P HA -0.067 nan 4.420 nan 0.000 0.266 448 P C -0.026 177.248 177.300 -0.043 0.000 1.195 448 P CA 0.451 63.521 63.100 -0.050 0.000 0.768 448 P CB 0.551 32.231 31.700 -0.033 0.000 0.838 449 M N -0.404 119.179 119.600 -0.028 0.000 2.872 449 M HA -0.291 4.189 4.480 -0.000 0.000 0.183 449 M C 0.344 176.629 176.300 -0.025 0.000 0.631 449 M CA 1.030 56.317 55.300 -0.021 0.000 0.672 449 M CB -2.151 30.439 32.600 -0.017 0.000 2.432 449 M HN 0.522 nan 8.290 nan 0.000 0.376 450 Q N -1.371 118.407 119.800 -0.036 0.000 2.461 450 Q HA -0.190 4.150 4.340 -0.000 0.000 0.273 450 Q C 0.399 176.377 176.000 -0.037 0.000 1.163 450 Q CA 1.331 57.111 55.803 -0.037 0.000 0.929 450 Q CB -1.750 26.977 28.738 -0.019 0.000 1.334 450 Q HN 0.690 nan 8.270 nan 0.000 0.499 451 T N 0.528 115.053 114.554 -0.047 0.000 2.795 451 T HA 0.096 4.446 4.350 -0.000 0.000 0.314 451 T C 0.718 175.397 174.700 -0.035 0.000 1.069 451 T CA -0.276 61.804 62.100 -0.034 0.000 1.071 451 T CB 0.513 69.362 68.868 -0.032 0.000 0.988 451 T HN 0.290 nan 8.240 nan 0.000 0.543 452 N N 2.469 121.166 118.700 -0.005 0.000 2.326 452 N HA 0.012 4.752 4.740 -0.000 0.000 0.239 452 N C 0.115 175.636 175.510 0.019 0.000 1.301 452 N CA -0.112 52.947 53.050 0.014 0.000 0.909 452 N CB 0.074 38.582 38.487 0.035 0.000 1.156 452 N HN 0.615 nan 8.380 nan 0.000 0.462 453 N N -0.243 118.489 118.700 0.053 0.000 2.652 453 N HA 0.122 4.862 4.740 -0.000 0.000 0.259 453 N C -0.255 175.329 175.510 0.124 0.000 1.240 453 N CA -0.426 52.685 53.050 0.102 0.000 0.951 453 N CB 0.180 38.746 38.487 0.133 0.000 1.281 453 N HN 0.444 nan 8.380 nan 0.000 0.507 454 A N 0.256 123.134 122.820 0.097 0.000 2.257 454 A HA 0.842 5.162 4.320 -0.000 0.000 0.289 454 A C 0.641 178.303 177.584 0.130 0.000 1.095 454 A CA -0.306 51.797 52.037 0.111 0.000 0.836 454 A CB 0.810 19.859 19.000 0.080 0.000 1.111 454 A HN 0.272 nan 8.150 nan 0.000 0.497 455 G N -0.460 108.427 108.800 0.144 0.000 2.667 455 G HA2 0.408 4.368 3.960 -0.000 0.000 0.294 455 G HA3 0.408 4.368 3.960 -0.000 0.000 0.294 455 G C -1.387 173.602 174.900 0.148 0.000 1.467 455 G CA -0.746 44.442 45.100 0.147 0.000 0.852 455 G HN 0.831 nan 8.290 nan 0.000 0.521 456 N N 1.232 120.024 118.700 0.153 0.000 2.558 456 N HA 0.475 5.215 4.740 -0.000 0.000 0.233 456 N C -0.063 175.519 175.510 0.121 0.000 1.038 456 N CA -0.421 52.723 53.050 0.156 0.000 0.934 456 N CB 0.386 38.999 38.487 0.211 0.000 1.175 456 N HN 0.336 nan 8.380 nan 0.000 0.512 457 L N 1.634 122.875 121.223 0.031 0.000 2.304 457 L HA 0.555 4.895 4.340 -0.000 0.000 0.268 457 L C -0.114 176.771 176.870 0.026 0.000 1.010 457 L CA -0.996 53.857 54.840 0.022 0.000 0.813 457 L CB 1.673 43.691 42.059 -0.068 0.000 1.315 457 L HN 0.344 nan 8.230 nan 0.000 0.445 458 K N 0.402 120.814 120.400 0.020 0.000 2.397 458 K HA 0.610 4.930 4.320 -0.000 0.000 0.253 458 K C -1.741 174.812 176.600 -0.078 0.000 0.932 458 K CA -0.552 55.741 56.287 0.010 0.000 0.795 458 K CB 2.244 34.753 32.500 0.015 0.000 1.159 458 K HN 0.339 nan 8.250 nan 0.000 0.424 459 V N 5.553 125.377 119.914 -0.149 0.000 2.398 459 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 459 V C -0.602 175.438 176.094 -0.090 0.000 1.026 459 V CA -0.820 61.361 62.300 -0.199 0.000 0.868 459 V CB 1.201 32.656 31.823 -0.613 0.000 0.982 459 V HN 0.613 nan 8.190 nan 0.000 0.443 460 I N 4.439 124.989 120.570 -0.033 0.000 2.406 460 I HA 0.752 4.922 4.170 -0.000 0.000 0.290 460 I C 0.296 176.308 176.117 -0.175 0.000 0.999 460 I CA -0.236 61.017 61.300 -0.079 0.000 1.124 460 I CB 1.794 39.751 38.000 -0.073 0.000 1.289 460 I HN 0.662 nan 8.210 nan 0.000 0.441 461 A N 3.939 126.549 122.820 -0.350 0.000 2.350 461 A HA 0.936 5.256 4.320 -0.000 0.000 0.324 461 A C -0.519 176.784 177.584 -0.467 0.000 1.118 461 A CA -0.474 51.102 52.037 -0.769 0.000 0.783 461 A CB 1.081 19.304 19.000 -1.296 0.000 1.236 461 A HN 0.602 nan 8.150 nan 0.000 0.457 462 T N 1.903 116.185 114.554 -0.454 0.000 2.881 462 T HA 0.539 4.889 4.350 -0.000 0.000 0.291 462 T C 0.335 174.900 174.700 -0.225 0.000 0.990 462 T CA -0.285 61.658 62.100 -0.263 0.000 0.976 462 T CB 0.965 69.726 68.868 -0.179 0.000 0.970 462 T HN 1.140 nan 8.240 nan 0.000 0.438 463 V N 0.646 120.458 119.914 -0.169 0.000 3.653 463 V HA 0.688 4.808 4.120 -0.000 0.000 0.281 463 V C 0.239 176.299 176.094 -0.057 0.000 1.132 463 V CA -0.593 61.645 62.300 -0.103 0.000 0.915 463 V CB 0.766 32.511 31.823 -0.130 0.000 1.241 463 V HN 0.637 nan 8.190 nan 0.000 0.441 464 D N -0.826 119.569 120.400 -0.008 0.000 2.511 464 D HA 0.584 5.224 4.640 -0.000 0.000 0.283 464 D C 0.649 176.957 176.300 0.013 0.000 1.198 464 D CA 0.572 54.583 54.000 0.019 0.000 1.097 464 D CB 1.307 42.151 40.800 0.074 0.000 1.160 464 D HN 1.084 nan 8.370 nan 0.000 0.589 465 A N -0.146 122.697 122.820 0.037 0.000 2.763 465 A HA -0.217 4.103 4.320 -0.000 0.000 0.309 465 A C -0.163 177.436 177.584 0.025 0.000 1.747 465 A CA 1.243 53.300 52.037 0.034 0.000 1.862 465 A CB -0.622 18.409 19.000 0.051 0.000 1.245 465 A HN 0.617 nan 8.150 nan 0.000 0.572 466 E N -1.427 118.785 120.200 0.019 0.000 5.482 466 E HA -0.141 4.209 4.350 -0.000 0.000 0.369 466 E C 1.141 177.745 176.600 0.006 0.000 1.136 466 E CA 1.303 57.711 56.400 0.013 0.000 1.145 466 E CB -1.619 28.093 29.700 0.020 0.000 0.781 466 E HN 2.546 nan 8.360 nan 0.000 0.338 467 G N 3.206 112.006 108.800 0.000 0.000 2.412 467 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.252 467 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.252 467 G C 0.324 175.216 174.900 -0.012 0.000 1.038 467 G CA 0.701 45.798 45.100 -0.005 0.000 0.628 467 G HN 0.726 nan 8.290 nan 0.000 0.531 468 E N -0.144 120.048 120.200 -0.014 0.000 2.122 468 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 468 E C -1.884 174.696 176.600 -0.034 0.000 1.352 468 E CA 0.838 57.224 56.400 -0.024 0.000 0.705 468 E CB -0.745 28.944 29.700 -0.018 0.000 1.084 468 E HN 0.663 nan 8.360 nan 0.000 0.337 469 P HA 0.270 nan 4.420 nan 0.000 0.226 469 P C -0.654 176.612 177.300 -0.056 0.000 1.845 469 P CA -0.148 62.926 63.100 -0.043 0.000 1.092 469 P CB 0.152 31.833 31.700 -0.033 0.000 1.851 470 L N 0.196 121.376 121.223 -0.073 0.000 2.324 470 L HA 0.591 4.931 4.340 -0.000 0.000 0.274 470 L C 0.137 176.943 176.870 -0.108 0.000 1.012 470 L CA -0.304 54.479 54.840 -0.095 0.000 0.859 470 L CB 1.670 43.651 42.059 -0.130 0.000 1.224 470 L HN 0.079 nan 8.230 nan 0.000 0.429 471 S N 2.403 118.046 115.700 -0.096 0.000 2.536 471 S HA 0.922 5.392 4.470 -0.000 0.000 0.271 471 S C -1.226 173.322 174.600 -0.088 0.000 1.134 471 S CA -0.259 57.875 58.200 -0.110 0.000 0.897 471 S CB 1.943 65.085 63.200 -0.097 0.000 1.094 471 S HN 0.656 nan 8.310 nan 0.000 0.473 472 A N 3.133 125.895 122.820 -0.098 0.000 2.556 472 A HA 0.866 5.186 4.320 -0.000 0.000 0.294 472 A C -1.249 176.304 177.584 -0.052 0.000 1.091 472 A CA -0.748 51.258 52.037 -0.052 0.000 0.704 472 A CB 1.462 20.457 19.000 -0.008 0.000 1.300 472 A HN 0.773 nan 8.150 nan 0.000 0.406 473 E N -0.260 119.929 120.200 -0.019 0.000 2.299 473 E HA 0.706 5.056 4.350 -0.000 0.000 0.265 473 E C -0.611 176.006 176.600 0.027 0.000 0.911 473 E CA -0.964 55.425 56.400 -0.017 0.000 0.789 473 E CB 2.459 32.142 29.700 -0.030 0.000 1.246 473 E HN 0.928 nan 8.360 nan 0.000 0.427 474 A N 1.323 124.144 122.820 0.003 0.000 2.454 474 A HA 0.447 4.767 4.320 -0.000 0.000 0.302 474 A C -1.561 176.053 177.584 0.050 0.000 1.079 474 A CA -0.660 51.405 52.037 0.047 0.000 0.731 474 A CB 1.354 20.349 19.000 -0.008 0.000 1.299 474 A HN 0.626 nan 8.150 nan 0.000 0.413 475 H N 1.494 120.541 119.070 -0.037 0.000 2.594 475 H HA 0.594 5.150 4.556 -0.000 0.000 0.304 475 H C -1.578 173.571 175.328 -0.298 0.000 1.068 475 H CA -0.667 55.255 56.048 -0.210 0.000 1.308 475 H CB 1.154 30.720 29.762 -0.326 0.000 1.409 475 H HN 0.535 nan 8.280 nan 0.000 0.460 476 L N 6.939 128.126 121.223 -0.060 0.000 2.333 476 L HA 0.340 4.680 4.340 -0.000 0.000 0.280 476 L C -1.726 174.962 176.870 -0.305 0.000 1.004 476 L CA -0.555 54.180 54.840 -0.175 0.000 0.820 476 L CB 0.805 42.751 42.059 -0.190 0.000 1.247 476 L HN 0.506 nan 8.230 nan 0.000 0.416 477 Y N 4.643 124.882 120.300 -0.100 0.000 2.504 477 Y HA 0.610 5.160 4.550 -0.000 0.000 0.339 477 Y C 0.676 176.549 175.900 -0.044 0.000 0.974 477 Y CA -0.711 57.333 58.100 -0.094 0.000 1.232 477 Y CB 1.355 39.728 38.460 -0.145 0.000 1.108 477 Y HN 0.776 nan 8.280 nan 0.000 0.509 478 A N 3.537 126.429 122.820 0.119 0.000 2.539 478 A HA 0.386 4.706 4.320 -0.000 0.000 0.306 478 A C 0.413 178.086 177.584 0.147 0.000 1.392 478 A CA -0.023 52.108 52.037 0.157 0.000 1.060 478 A CB 0.068 19.201 19.000 0.222 0.000 1.134 478 A HN 0.670 nan 8.150 nan 0.000 0.542 479 T N 0.924 115.547 114.554 0.115 0.000 2.797 479 T HA 0.600 4.950 4.350 -0.000 0.000 0.267 479 T C 0.474 175.202 174.700 0.047 0.000 0.986 479 T CA 0.269 62.410 62.100 0.068 0.000 0.999 479 T CB 0.694 69.576 68.868 0.022 0.000 1.508 479 T HN 1.125 nan 8.240 nan 0.000 0.595 480 V N 0.567 120.494 119.914 0.022 0.000 3.170 480 V HA 0.608 4.728 4.120 -0.000 0.000 0.309 480 V C -0.202 175.870 176.094 -0.036 0.000 1.071 480 V CA -0.878 61.429 62.300 0.012 0.000 1.063 480 V CB 0.343 32.189 31.823 0.037 0.000 1.123 480 V HN 0.876 nan 8.190 nan 0.000 0.464 481 Q N 1.276 121.021 119.800 -0.093 0.000 2.454 481 Q HA 0.415 4.755 4.340 -0.000 0.000 0.247 481 Q C 0.034 175.868 176.000 -0.277 0.000 1.028 481 Q CA -0.121 55.529 55.803 -0.256 0.000 0.910 481 Q CB 0.290 28.717 28.738 -0.518 0.000 1.276 481 Q HN 0.885 nan 8.270 nan 0.000 0.489 482 R N 0.176 120.489 120.500 -0.312 0.000 2.494 482 R HA 0.429 4.769 4.340 -0.000 0.000 0.305 482 R C -0.878 175.236 176.300 -0.309 0.000 0.959 482 R CA -0.517 55.479 56.100 -0.174 0.000 0.864 482 R CB 0.583 30.834 30.300 -0.081 0.000 1.159 482 R HN 0.563 nan 8.270 nan 0.000 0.446 483 F N 1.200 121.144 119.950 -0.010 0.000 2.714 483 F HA 0.216 4.742 4.527 -0.000 0.000 0.294 483 F C 0.395 176.192 175.800 -0.005 0.000 1.120 483 F CA -0.174 57.822 58.000 -0.007 0.000 1.398 483 F CB 0.980 39.976 39.000 -0.007 0.000 1.120 483 F HN 0.165 nan 8.300 nan 0.000 0.589 484 V N 0.408 120.402 119.914 0.134 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C -0.892 175.222 176.094 0.034 0.000 1.038 484 V CA -0.606 61.742 62.300 0.080 0.000 0.887 484 V CB 1.940 33.805 31.823 0.070 0.000 0.991 484 V HN -0.065 nan 8.190 nan 0.000 0.434 485 D N 1.862 122.276 120.400 0.023 0.000 2.615 485 D HA 0.867 5.507 4.640 -0.000 0.000 0.267 485 D C -1.033 175.271 176.300 0.007 0.000 1.236 485 D CA 0.027 54.030 54.000 0.004 0.000 0.839 485 D CB 2.613 43.404 40.800 -0.014 0.000 1.380 485 D HN 0.854 nan 8.370 nan 0.000 0.433 486 A N 1.053 123.872 122.820 -0.002 0.000 2.586 486 A HA 0.616 4.936 4.320 -0.000 0.000 0.290 486 A C -2.358 175.216 177.584 -0.016 0.000 1.086 486 A CA -0.900 51.133 52.037 -0.006 0.000 0.665 486 A CB 1.034 20.029 19.000 -0.007 0.000 1.279 486 A HN 0.386 nan 8.150 nan 0.000 0.423 487 P HA -0.037 nan 4.420 nan 0.000 0.216 487 P C -0.105 177.176 177.300 -0.032 0.000 1.150 487 P CA 1.349 64.437 63.100 -0.020 0.000 0.843 487 P CB 0.082 31.770 31.700 -0.022 0.000 0.787 488 I N -1.189 119.352 120.570 -0.047 0.000 2.439 488 I HA 0.236 4.406 4.170 -0.000 0.000 0.285 488 I C 0.642 176.732 176.117 -0.045 0.000 1.021 488 I CA -0.931 60.333 61.300 -0.060 0.000 1.091 488 I CB 2.198 40.137 38.000 -0.101 0.000 1.242 488 I HN -0.225 nan 8.210 nan 0.000 0.439 489 R N 0.000 120.492 120.500 -0.014 0.000 2.786 489 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 489 R CA 0.000 56.112 56.100 0.020 0.000 0.921 489 R CB 0.000 30.315 30.300 0.024 0.000 0.687 489 R HN 0.000 nan 8.270 nan 0.000 0.535