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 2r5i_1_E DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.599 177.584 0.025 0.000 1.274 20 A CA 0.000 52.039 52.037 0.003 0.000 0.836 20 A CB 0.000 19.006 19.000 0.010 0.000 0.831 21 V N 2.208 122.067 119.914 -0.092 0.000 2.686 21 V HA 0.602 4.703 4.120 -0.031 0.000 0.295 21 V C 0.178 176.110 176.094 -0.271 0.000 1.057 21 V CA -0.283 61.949 62.300 -0.114 0.000 1.012 21 V CB 1.565 33.150 31.823 -0.397 0.000 1.006 21 V HN 0.816 nan 8.190 nan 0.000 0.477 22 V N 3.108 123.006 119.914 -0.026 0.000 2.735 22 V HA 0.383 4.485 4.120 -0.031 0.000 0.310 22 V C 0.198 176.379 176.094 0.146 0.000 1.061 22 V CA -1.177 61.073 62.300 -0.083 0.000 0.913 22 V CB 1.930 33.701 31.823 -0.088 0.000 1.005 22 V HN 0.846 nan 8.190 nan 0.000 0.428 23 N N 2.173 120.994 118.700 0.202 0.000 2.294 23 N HA -0.073 4.649 4.740 -0.031 0.000 0.263 23 N C 1.485 177.130 175.510 0.225 0.000 1.281 23 N CA 0.911 54.138 53.050 0.295 0.000 0.846 23 N CB 1.378 40.005 38.487 0.233 0.000 1.061 23 N HN 1.035 nan 8.380 nan 0.000 0.478 24 T N -0.677 113.977 114.554 0.166 0.000 2.977 24 T HA -0.105 4.227 4.350 -0.031 0.000 0.271 24 T C 0.812 175.375 174.700 -0.229 0.000 1.105 24 T CA 0.906 62.900 62.100 -0.177 0.000 1.116 24 T CB 0.096 68.902 68.868 -0.104 0.000 0.878 24 T HN 0.436 nan 8.240 nan 0.000 0.509 25 D N 1.673 122.051 120.400 -0.038 0.000 2.350 25 D HA -0.061 4.561 4.640 -0.031 0.000 0.216 25 D C 1.178 177.478 176.300 0.000 0.000 0.968 25 D CA 0.735 54.720 54.000 -0.025 0.000 0.894 25 D CB -0.186 40.627 40.800 0.022 0.000 0.909 25 D HN 0.438 nan 8.370 nan 0.000 0.520 26 D N -0.309 120.118 120.400 0.045 0.000 2.277 26 D HA -0.091 4.531 4.640 -0.031 0.000 0.208 26 D C 1.253 177.656 176.300 0.171 0.000 0.962 26 D CA 0.656 54.721 54.000 0.109 0.000 0.865 26 D CB 0.055 40.937 40.800 0.136 0.000 0.939 26 D HN 0.549 nan 8.370 nan 0.000 0.510 27 Y N -2.832 117.495 120.300 0.046 0.000 2.728 27 Y HA 0.474 5.006 4.550 -0.031 0.000 0.256 27 Y C -0.487 175.482 175.900 0.116 0.000 1.112 27 Y CA -0.549 57.590 58.100 0.065 0.000 1.240 27 Y CB 0.372 38.860 38.460 0.046 0.000 1.337 27 Y HN -0.332 nan 8.280 nan 0.000 0.559 28 V N 2.434 122.271 119.914 -0.127 0.000 2.409 28 V HA 0.373 4.475 4.120 -0.031 0.000 0.290 28 V C -0.305 175.757 176.094 -0.053 0.000 1.017 28 V CA -0.559 61.681 62.300 -0.099 0.000 0.841 28 V CB 1.462 33.153 31.823 -0.220 0.000 1.003 28 V HN 0.380 nan 8.190 nan 0.000 0.426 29 T N 4.760 119.304 114.554 -0.018 0.000 2.882 29 T HA 0.553 4.885 4.350 -0.031 0.000 0.287 29 T C 0.047 174.729 174.700 -0.030 0.000 0.992 29 T CA -0.640 61.452 62.100 -0.013 0.000 1.076 29 T CB 1.199 70.067 68.868 0.001 0.000 0.961 29 T HN 0.487 nan 8.240 nan 0.000 0.490 30 R N 1.232 121.720 120.500 -0.020 0.000 2.486 30 R HA 0.573 4.894 4.340 -0.031 0.000 0.286 30 R C 0.834 177.107 176.300 -0.046 0.000 0.999 30 R CA -0.607 55.474 56.100 -0.032 0.000 0.993 30 R CB 1.108 31.408 30.300 0.000 0.000 1.084 30 R HN 0.865 nan 8.270 nan 0.000 0.487 31 T N -2.263 112.236 114.554 -0.092 0.000 2.892 31 T HA 0.186 4.518 4.350 -0.031 0.000 0.280 31 T C 0.905 175.518 174.700 -0.144 0.000 1.004 31 T CA -0.669 61.377 62.100 -0.090 0.000 0.950 31 T CB 1.275 70.084 68.868 -0.098 0.000 1.309 31 T HN 0.516 nan 8.240 nan 0.000 0.592 32 S N -0.678 114.954 115.700 -0.112 0.000 2.574 32 S HA 0.314 4.765 4.470 -0.031 0.000 0.242 32 S C 0.155 174.651 174.600 -0.172 0.000 0.982 32 S CA -0.732 57.412 58.200 -0.094 0.000 0.977 32 S CB -0.468 62.762 63.200 0.049 0.000 0.814 32 S HN 0.551 nan 8.310 nan 0.000 0.464 33 I N 2.451 122.863 120.570 -0.264 0.000 2.331 33 I HA 0.491 4.643 4.170 -0.031 0.000 0.292 33 I C -0.701 175.296 176.117 -0.199 0.000 0.998 33 I CA -1.099 60.147 61.300 -0.090 0.000 1.267 33 I CB 0.057 38.103 38.000 0.077 0.000 1.386 33 I HN 0.192 nan 8.210 nan 0.000 0.476 34 F N 5.734 125.777 119.950 0.154 0.000 2.540 34 F HA 0.507 5.015 4.527 -0.030 0.000 0.317 34 F C -0.379 175.463 175.800 0.070 0.000 1.104 34 F CA -0.661 57.427 58.000 0.146 0.000 0.913 34 F CB 1.837 40.849 39.000 0.021 0.000 1.170 34 F HN 0.230 nan 8.300 nan 0.000 0.450 35 Y N 1.326 121.739 120.300 0.188 0.000 2.549 35 Y HA 0.375 4.906 4.550 -0.031 0.000 0.339 35 Y C -0.055 175.756 175.900 -0.148 0.000 1.053 35 Y CA -0.866 57.276 58.100 0.070 0.000 1.105 35 Y CB 1.368 39.870 38.460 0.070 0.000 1.258 35 Y HN 0.499 nan 8.280 nan 0.000 0.478 36 H N 1.303 120.303 119.070 -0.116 0.000 2.533 36 H HA 0.878 5.415 4.556 -0.031 0.000 0.343 36 H C -1.711 173.323 175.328 -0.489 0.000 1.160 36 H CA -0.740 55.108 56.048 -0.333 0.000 1.218 36 H CB 1.707 31.285 29.762 -0.307 0.000 1.566 36 H HN 0.797 nan 8.280 nan 0.000 0.522 37 A N 2.042 124.181 122.820 -1.134 0.000 2.540 37 A HA 0.616 4.918 4.320 -0.031 0.000 0.297 37 A C -1.023 176.233 177.584 -0.547 0.000 1.056 37 A CA -0.034 51.591 52.037 -0.687 0.000 0.700 37 A CB 1.533 20.053 19.000 -0.799 0.000 1.280 37 A HN 0.961 nan 8.150 nan 0.000 0.398 38 G N 0.598 109.270 108.800 -0.213 0.000 2.766 38 G HA2 0.644 4.585 3.960 -0.031 0.000 0.297 38 G HA3 0.644 4.585 3.960 -0.031 0.000 0.297 38 G C -0.213 174.685 174.900 -0.004 0.000 1.431 38 G CA 0.265 45.312 45.100 -0.089 0.000 1.042 38 G HN 1.794 nan 8.290 nan 0.000 0.542 39 S N 0.858 116.551 115.700 -0.010 0.000 2.576 39 S HA 0.366 4.817 4.470 -0.031 0.000 0.272 39 S C 1.753 176.353 174.600 0.001 0.000 1.352 39 S CA 0.697 58.888 58.200 -0.014 0.000 1.021 39 S CB 1.212 64.357 63.200 -0.092 0.000 0.887 39 S HN 1.562 nan 8.310 nan 0.000 0.542 40 S N 2.442 118.161 115.700 0.032 0.000 2.374 40 S HA 0.020 4.471 4.470 -0.031 0.000 0.207 40 S C 0.821 175.435 174.600 0.024 0.000 1.042 40 S CA 0.508 58.736 58.200 0.046 0.000 1.034 40 S CB -0.526 62.714 63.200 0.067 0.000 1.018 40 S HN 0.992 nan 8.310 nan 0.000 0.419 41 R N 0.276 120.799 120.500 0.039 0.000 2.772 41 R HA 0.387 4.708 4.340 -0.031 0.000 0.288 41 R C -1.877 174.476 176.300 0.087 0.000 1.365 41 R CA -0.343 55.778 56.100 0.035 0.000 1.023 41 R CB 0.415 30.740 30.300 0.042 0.000 1.261 41 R HN 0.435 nan 8.270 nan 0.000 0.422 42 L N 4.455 125.720 121.223 0.070 0.000 2.380 42 L HA 0.474 4.795 4.340 -0.031 0.000 0.273 42 L C -0.431 176.628 176.870 0.316 0.000 1.138 42 L CA -0.654 54.310 54.840 0.206 0.000 0.832 42 L CB 0.915 42.913 42.059 -0.102 0.000 1.124 42 L HN 0.439 nan 8.230 nan 0.000 0.454 43 L N 2.510 124.006 121.223 0.455 0.000 2.434 43 L HA 0.756 5.078 4.340 -0.031 0.000 0.260 43 L C -0.614 176.471 176.870 0.358 0.000 0.983 43 L CA 0.055 55.096 54.840 0.335 0.000 0.820 43 L CB 2.514 44.683 42.059 0.184 0.000 1.361 43 L HN 0.637 nan 8.230 nan 0.000 0.410 44 T N 2.999 117.702 114.554 0.248 0.000 3.012 44 T HA 0.716 5.048 4.350 -0.031 0.000 0.330 44 T C -1.694 173.026 174.700 0.035 0.000 1.321 44 T CA 0.067 62.230 62.100 0.105 0.000 1.067 44 T CB 0.964 69.861 68.868 0.049 0.000 1.235 44 T HN 1.105 nan 8.240 nan 0.000 0.479 45 V N 1.201 121.112 119.914 -0.005 0.000 3.040 45 V HA 1.120 5.222 4.120 -0.031 0.000 0.312 45 V C 0.138 176.220 176.094 -0.020 0.000 1.115 45 V CA 0.089 62.374 62.300 -0.026 0.000 0.998 45 V CB 1.333 33.139 31.823 -0.028 0.000 1.042 45 V HN 1.531 nan 8.190 nan 0.000 0.433 46 G N 0.799 109.589 108.800 -0.016 0.000 2.340 46 G HA2 0.340 4.282 3.960 -0.031 0.000 0.299 46 G HA3 0.340 4.282 3.960 -0.031 0.000 0.299 46 G C -2.061 172.821 174.900 -0.030 0.000 1.291 46 G CA -0.151 44.941 45.100 -0.013 0.000 0.841 46 G HN 1.011 nan 8.290 nan 0.000 0.500 47 D N 0.368 120.727 120.400 -0.069 0.000 2.256 47 D HA 0.366 4.988 4.640 -0.031 0.000 0.250 47 D C -1.292 174.894 176.300 -0.190 0.000 1.093 47 D CA -1.753 52.129 54.000 -0.197 0.000 0.882 47 D CB 2.495 43.113 40.800 -0.304 0.000 1.185 47 D HN 0.052 nan 8.370 nan 0.000 0.437 48 P HA -0.049 nan 4.420 nan 0.000 0.236 48 P C 0.722 178.081 177.300 0.098 0.000 1.177 48 P CA 0.817 63.849 63.100 -0.114 0.000 0.773 48 P CB 0.115 31.681 31.700 -0.223 0.000 0.878 49 Y N -0.655 119.482 120.300 -0.272 0.000 2.535 49 Y HA 0.250 4.781 4.550 -0.032 0.000 0.266 49 Y C 0.934 176.772 175.900 -0.103 0.000 1.088 49 Y CA -0.766 57.194 58.100 -0.233 0.000 1.285 49 Y CB 0.402 38.679 38.460 -0.306 0.000 1.166 49 Y HN -0.138 nan 8.280 nan 0.000 0.525 50 F N -0.868 119.192 119.950 0.183 0.000 2.878 50 F HA 0.420 4.929 4.527 -0.030 0.000 0.322 50 F C -1.193 174.653 175.800 0.077 0.000 1.154 50 F CA -2.252 55.815 58.000 0.113 0.000 0.896 50 F CB 0.557 39.614 39.000 0.096 0.000 1.313 50 F HN -0.211 nan 8.300 nan 0.000 0.451 51 R N 0.815 121.562 120.500 0.413 0.000 2.459 51 R HA 0.800 5.121 4.340 -0.031 0.000 0.281 51 R C -1.664 174.833 176.300 0.329 0.000 1.050 51 R CA -0.840 55.419 56.100 0.265 0.000 1.055 51 R CB 1.545 31.933 30.300 0.147 0.000 1.045 51 R HN 0.543 nan 8.270 nan 0.000 0.495 52 V N 4.519 124.571 119.914 0.229 0.000 2.328 52 V HA 0.267 4.368 4.120 -0.031 0.000 0.278 52 V C -1.997 174.169 176.094 0.121 0.000 1.021 52 V CA -2.261 60.171 62.300 0.220 0.000 0.838 52 V CB 1.193 33.136 31.823 0.200 0.000 0.999 52 V HN 0.798 nan 8.190 nan 0.000 0.447 53 P HA 0.023 nan 4.420 nan 0.000 0.263 53 P C 0.208 177.538 177.300 0.049 0.000 1.175 53 P CA 0.438 63.569 63.100 0.053 0.000 0.761 53 P CB 0.457 32.176 31.700 0.032 0.000 0.794 54 A N 4.100 126.942 122.820 0.037 0.000 2.615 54 A HA 0.231 4.532 4.320 -0.031 0.000 0.230 54 A C 1.884 179.485 177.584 0.029 0.000 1.062 54 A CA 0.646 52.701 52.037 0.029 0.000 0.758 54 A CB -1.143 17.868 19.000 0.019 0.000 0.995 54 A HN 0.891 nan 8.150 nan 0.000 0.511 55 G N 1.186 110.002 108.800 0.026 0.000 2.405 55 G HA2 -0.242 3.700 3.960 -0.031 0.000 0.330 55 G HA3 -0.242 3.700 3.960 -0.031 0.000 0.330 55 G C 1.473 176.390 174.900 0.028 0.000 0.950 55 G CA 1.717 46.831 45.100 0.024 0.000 0.735 55 G HN 1.952 nan 8.290 nan 0.000 0.516 56 G N 0.277 109.098 108.800 0.034 0.000 2.631 56 G HA2 -0.048 3.894 3.960 -0.031 0.000 0.219 56 G HA3 -0.048 3.894 3.960 -0.031 0.000 0.219 56 G C 1.703 176.627 174.900 0.040 0.000 1.214 56 G CA 1.625 46.746 45.100 0.035 0.000 0.785 56 G HN 1.157 nan 8.290 nan 0.000 0.596 57 G N 0.802 109.635 108.800 0.056 0.000 2.508 57 G HA2 0.157 4.099 3.960 -0.031 0.000 0.212 57 G HA3 0.157 4.099 3.960 -0.031 0.000 0.212 57 G C 0.571 175.493 174.900 0.038 0.000 1.206 57 G CA 0.671 45.807 45.100 0.060 0.000 0.822 57 G HN 0.719 nan 8.290 nan 0.000 0.550 58 N N 0.054 118.773 118.700 0.033 0.000 2.371 58 N HA 0.163 4.884 4.740 -0.031 0.000 0.291 58 N C -0.701 174.816 175.510 0.012 0.000 1.053 58 N CA -0.698 52.359 53.050 0.013 0.000 0.870 58 N CB 2.168 40.652 38.487 -0.005 0.000 1.503 58 N HN 0.247 nan 8.380 nan 0.000 0.485 59 K N 2.086 122.491 120.400 0.008 0.000 2.490 59 K HA -0.288 4.014 4.320 -0.031 0.000 0.264 59 K C -0.462 176.142 176.600 0.007 0.000 1.027 59 K CA 0.944 57.236 56.287 0.007 0.000 1.139 59 K CB 0.045 32.547 32.500 0.003 0.000 0.792 59 K HN 0.848 nan 8.250 nan 0.000 0.479 60 Q N 2.212 122.017 119.800 0.009 0.000 3.215 60 Q HA -0.144 4.178 4.340 -0.031 0.000 0.034 60 Q C -1.428 174.580 176.000 0.013 0.000 1.698 60 Q CA 0.863 56.671 55.803 0.007 0.000 0.248 60 Q CB -0.057 28.681 28.738 0.000 0.000 0.583 60 Q HN 0.790 nan 8.270 nan 0.000 0.322 61 D N 3.307 123.715 120.400 0.014 0.000 2.449 61 D HA 0.140 4.761 4.640 -0.031 0.000 0.236 61 D C 0.261 176.574 176.300 0.021 0.000 1.149 61 D CA 0.537 54.550 54.000 0.023 0.000 0.878 61 D CB 0.458 41.268 40.800 0.017 0.000 1.198 61 D HN 0.349 nan 8.370 nan 0.000 0.446 62 I N 3.718 124.312 120.570 0.039 0.000 2.359 62 I HA 0.196 4.348 4.170 -0.031 0.000 0.284 62 I C -2.196 173.941 176.117 0.035 0.000 1.018 62 I CA -2.131 59.187 61.300 0.030 0.000 1.173 62 I CB 1.110 39.137 38.000 0.046 0.000 1.326 62 I HN -0.094 nan 8.210 nan 0.000 0.462 63 P HA 0.024 nan 4.420 nan 0.000 0.269 63 P C -0.174 177.142 177.300 0.026 0.000 1.217 63 P CA -0.327 62.781 63.100 0.012 0.000 0.783 63 P CB 0.712 32.399 31.700 -0.023 0.000 0.898 64 K N 1.871 122.299 120.400 0.047 0.000 2.219 64 K HA 0.227 4.529 4.320 -0.031 0.000 0.280 64 K C -1.168 175.476 176.600 0.074 0.000 1.104 64 K CA -0.293 56.032 56.287 0.062 0.000 0.925 64 K CB -0.285 32.276 32.500 0.103 0.000 1.261 64 K HN 0.173 nan 8.250 nan 0.000 0.445 65 V N 3.163 123.122 119.914 0.075 0.000 2.318 65 V HA 0.178 4.280 4.120 -0.031 0.000 0.271 65 V C 0.074 176.320 176.094 0.253 0.000 1.030 65 V CA -0.593 61.786 62.300 0.132 0.000 0.844 65 V CB 0.950 32.825 31.823 0.087 0.000 1.015 65 V HN 0.645 nan 8.190 nan 0.000 0.460 66 S N 3.276 119.139 115.700 0.272 0.000 2.607 66 S HA 0.741 5.193 4.470 -0.031 0.000 0.303 66 S C 1.023 175.782 174.600 0.266 0.000 1.086 66 S CA 0.144 58.512 58.200 0.279 0.000 0.995 66 S CB 2.053 65.416 63.200 0.272 0.000 1.084 66 S HN 0.865 nan 8.310 nan 0.000 0.507 67 A N 2.175 125.006 122.820 0.018 0.000 2.208 67 A HA 0.245 4.547 4.320 -0.031 0.000 0.209 67 A C 0.162 177.626 177.584 -0.201 0.000 1.161 67 A CA 0.497 52.497 52.037 -0.062 0.000 0.782 67 A CB -0.409 18.358 19.000 -0.389 0.000 0.816 67 A HN 0.803 nan 8.150 nan 0.000 0.477 68 Y N 1.061 121.448 120.300 0.144 0.000 2.867 68 Y HA 0.297 4.826 4.550 -0.034 0.000 0.351 68 Y C 0.536 176.481 175.900 0.076 0.000 1.046 68 Y CA -0.400 57.765 58.100 0.109 0.000 1.520 68 Y CB -0.108 38.436 38.460 0.139 0.000 1.337 68 Y HN 0.541 nan 8.280 nan 0.000 0.525 69 Q N -2.020 117.884 119.800 0.173 0.000 2.421 69 Q HA 0.430 4.752 4.340 -0.031 0.000 0.280 69 Q C -1.551 174.531 176.000 0.137 0.000 1.085 69 Q CA -1.322 54.583 55.803 0.170 0.000 0.807 69 Q CB 1.521 30.382 28.738 0.205 0.000 1.405 69 Q HN 0.194 nan 8.270 nan 0.000 0.419 70 Y N 0.704 121.072 120.300 0.113 0.000 2.411 70 Y HA 0.190 4.723 4.550 -0.029 0.000 0.333 70 Y C 0.423 176.340 175.900 0.029 0.000 1.186 70 Y CA -0.140 58.010 58.100 0.083 0.000 1.381 70 Y CB 0.751 39.251 38.460 0.067 0.000 1.273 70 Y HN 0.258 nan 8.280 nan 0.000 0.546 71 R N 2.643 123.207 120.500 0.107 0.000 2.255 71 R HA 0.453 4.775 4.340 -0.031 0.000 0.326 71 R C -1.522 174.616 176.300 -0.270 0.000 0.986 71 R CA -0.674 55.303 56.100 -0.205 0.000 0.847 71 R CB 1.199 31.203 30.300 -0.493 0.000 1.111 71 R HN 0.421 nan 8.270 nan 0.000 0.452 72 V N 5.515 125.282 119.914 -0.246 0.000 2.376 72 V HA 0.402 4.503 4.120 -0.031 0.000 0.287 72 V C -0.548 175.455 176.094 -0.152 0.000 1.015 72 V CA -0.752 61.519 62.300 -0.049 0.000 0.834 72 V CB 0.978 32.930 31.823 0.215 0.000 1.001 72 V HN 0.471 nan 8.190 nan 0.000 0.428 73 F N 3.213 123.167 119.950 0.007 0.000 2.420 73 F HA 0.576 5.083 4.527 -0.032 0.000 0.342 73 F C 0.704 176.397 175.800 -0.178 0.000 1.113 73 F CA -0.605 57.352 58.000 -0.073 0.000 1.059 73 F CB 1.248 40.114 39.000 -0.223 0.000 1.128 73 F HN 0.285 nan 8.300 nan 0.000 0.475 74 R N 3.091 123.552 120.500 -0.064 0.000 2.233 74 R HA 0.487 4.808 4.340 -0.031 0.000 0.334 74 R C -1.415 174.707 176.300 -0.297 0.000 1.037 74 R CA -0.419 55.388 56.100 -0.488 0.000 0.920 74 R CB 0.748 30.761 30.300 -0.478 0.000 1.137 74 R HN 0.553 nan 8.270 nan 0.000 0.492 75 V N 4.552 124.267 119.914 -0.332 0.000 2.455 75 V HA 0.056 4.157 4.120 -0.031 0.000 0.273 75 V C 0.188 176.131 176.094 -0.252 0.000 1.045 75 V CA -0.292 61.866 62.300 -0.236 0.000 0.976 75 V CB 1.299 32.944 31.823 -0.296 0.000 0.993 75 V HN 0.631 nan 8.190 nan 0.000 0.475 76 Q N 4.919 124.619 119.800 -0.166 0.000 2.349 76 Q HA 0.478 4.799 4.340 -0.031 0.000 0.254 76 Q C -0.785 175.110 176.000 -0.174 0.000 0.980 76 Q CA 0.101 55.819 55.803 -0.142 0.000 0.924 76 Q CB 0.841 29.535 28.738 -0.073 0.000 1.209 76 Q HN 0.678 nan 8.270 nan 0.000 0.445 77 L N 5.744 126.828 121.223 -0.231 0.000 2.399 77 L HA 0.626 4.947 4.340 -0.031 0.000 0.265 77 L C -1.904 174.753 176.870 -0.356 0.000 1.089 77 L CA -2.268 52.352 54.840 -0.366 0.000 0.802 77 L CB 0.973 42.737 42.059 -0.492 0.000 1.180 77 L HN 0.553 nan 8.230 nan 0.000 0.454 78 P HA 0.031 nan 4.420 nan 0.000 0.279 78 P C -1.168 175.929 177.300 -0.338 0.000 1.239 78 P CA -0.350 62.446 63.100 -0.506 0.000 0.789 78 P CB 0.929 32.057 31.700 -0.954 0.000 0.933 79 D N 4.719 125.000 120.400 -0.198 0.000 2.358 79 D HA 0.029 4.651 4.640 -0.031 0.000 0.258 79 D C -1.234 174.930 176.300 -0.227 0.000 1.223 79 D CA -2.153 51.766 54.000 -0.136 0.000 0.886 79 D CB 0.610 41.389 40.800 -0.036 0.000 1.120 79 D HN 0.202 nan 8.370 nan 0.000 0.482 80 P HA -0.091 nan 4.420 nan 0.000 0.230 80 P C 0.612 177.733 177.300 -0.299 0.000 1.158 80 P CA 0.500 63.259 63.100 -0.567 0.000 0.769 80 P CB 0.567 31.522 31.700 -1.241 0.000 0.807 81 N N 1.323 119.905 118.700 -0.197 0.000 2.132 81 N HA -0.044 4.678 4.740 -0.031 0.000 0.187 81 N C 1.178 176.695 175.510 0.013 0.000 1.038 81 N CA 0.999 53.994 53.050 -0.091 0.000 0.846 81 N CB -0.425 38.020 38.487 -0.069 0.000 1.012 81 N HN 0.264 nan 8.380 nan 0.000 0.429 82 K N 0.350 120.769 120.400 0.031 0.000 2.878 82 K HA 0.051 4.353 4.320 -0.031 0.000 0.242 82 K C -0.433 176.245 176.600 0.129 0.000 0.985 82 K CA -0.011 56.315 56.287 0.065 0.000 1.168 82 K CB -0.334 32.199 32.500 0.056 0.000 0.993 82 K HN 0.060 nan 8.250 nan 0.000 0.476 83 F N -0.288 119.615 119.950 -0.079 0.000 2.579 83 F HA 0.478 4.987 4.527 -0.030 0.000 0.324 83 F C 0.279 176.051 175.800 -0.048 0.000 1.058 83 F CA -1.435 56.518 58.000 -0.078 0.000 0.944 83 F CB 1.460 40.378 39.000 -0.136 0.000 1.245 83 F HN -0.064 nan 8.300 nan 0.000 0.477 84 G N 5.909 114.388 108.800 -0.534 0.000 2.519 84 G HA2 0.430 4.371 3.960 -0.031 0.000 0.306 84 G HA3 0.430 4.371 3.960 -0.031 0.000 0.306 84 G C -0.477 174.098 174.900 -0.542 0.000 0.965 84 G CA -0.492 44.316 45.100 -0.487 0.000 1.291 84 G HN 0.658 nan 8.290 nan 0.000 0.450 85 L N 3.436 124.549 121.223 -0.183 0.000 2.473 85 L HA 0.189 4.510 4.340 -0.031 0.000 0.268 85 L C -0.384 176.488 176.870 0.003 0.000 1.215 85 L CA -1.563 53.267 54.840 -0.016 0.000 0.823 85 L CB 0.566 42.640 42.059 0.025 0.000 1.099 85 L HN 0.338 nan 8.230 nan 0.000 0.483 86 P HA -0.096 nan 4.420 nan 0.000 0.218 86 P C -0.171 177.147 177.300 0.030 0.000 1.149 86 P CA 1.181 64.311 63.100 0.050 0.000 0.817 86 P CB 0.166 31.902 31.700 0.061 0.000 0.785 87 D N -1.482 118.941 120.400 0.038 0.000 2.616 87 D HA 0.153 4.774 4.640 -0.031 0.000 0.238 87 D C -0.725 175.601 176.300 0.044 0.000 1.354 87 D CA -0.302 53.718 54.000 0.034 0.000 0.970 87 D CB 0.574 41.395 40.800 0.035 0.000 1.369 87 D HN -0.335 nan 8.370 nan 0.000 0.585 88 T N 1.765 116.348 114.554 0.048 0.000 3.467 88 T HA 0.251 4.582 4.350 -0.031 0.000 0.232 88 T C 0.534 175.301 174.700 0.112 0.000 0.876 88 T CA 0.032 62.187 62.100 0.093 0.000 0.939 88 T CB -0.385 68.532 68.868 0.083 0.000 1.165 88 T HN 0.357 nan 8.240 nan 0.000 0.615 89 S N 0.010 115.770 115.700 0.100 0.000 2.828 89 S HA 0.236 4.688 4.470 -0.031 0.000 0.240 89 S C 0.791 175.442 174.600 0.085 0.000 0.912 89 S CA -0.576 57.671 58.200 0.078 0.000 1.100 89 S CB -0.202 63.020 63.200 0.037 0.000 1.271 89 S HN 0.241 nan 8.310 nan 0.000 0.476 90 I N 0.956 121.605 120.570 0.132 0.000 3.265 90 I HA 0.299 4.451 4.170 -0.031 0.000 0.282 90 I C 0.865 177.075 176.117 0.155 0.000 1.207 90 I CA 0.263 61.614 61.300 0.086 0.000 1.449 90 I CB -1.227 36.770 38.000 -0.004 0.000 1.121 90 I HN 0.762 nan 8.210 nan 0.000 0.442 91 Y N 0.097 120.367 120.300 -0.051 0.000 2.728 91 Y HA 0.613 5.144 4.550 -0.030 0.000 0.330 91 Y C -0.751 175.114 175.900 -0.059 0.000 1.234 91 Y CA -1.606 56.456 58.100 -0.063 0.000 1.070 91 Y CB 1.290 39.694 38.460 -0.094 0.000 1.300 91 Y HN -0.079 nan 8.280 nan 0.000 0.467 92 N N 2.948 121.460 118.700 -0.313 0.000 2.558 92 N HA 0.367 5.089 4.740 -0.031 0.000 0.242 92 N C -2.257 172.853 175.510 -0.666 0.000 0.979 92 N CA -2.880 49.906 53.050 -0.440 0.000 0.931 92 N CB 1.511 39.877 38.487 -0.202 0.000 1.122 92 N HN 0.391 nan 8.380 nan 0.000 0.508 93 P HA -0.145 nan 4.420 nan 0.000 0.231 93 P C 0.070 177.166 177.300 -0.340 0.000 1.154 93 P CA 1.069 63.743 63.100 -0.710 0.000 0.762 93 P CB 0.490 31.897 31.700 -0.489 0.000 0.790 94 E N -0.782 119.253 120.200 -0.276 0.000 2.201 94 E HA -0.005 4.327 4.350 -0.031 0.000 0.193 94 E C 1.795 178.322 176.600 -0.122 0.000 0.957 94 E CA 1.517 57.822 56.400 -0.158 0.000 0.858 94 E CB -0.286 29.340 29.700 -0.123 0.000 0.816 94 E HN 0.395 nan 8.360 nan 0.000 0.475 95 T N -1.818 112.656 114.554 -0.133 0.000 2.985 95 T HA 0.132 4.463 4.350 -0.031 0.000 0.254 95 T C 0.792 175.445 174.700 -0.079 0.000 1.021 95 T CA -0.280 61.771 62.100 -0.081 0.000 0.957 95 T CB 0.386 69.221 68.868 -0.055 0.000 1.047 95 T HN 0.017 nan 8.240 nan 0.000 0.511 96 Q N -0.064 119.661 119.800 -0.125 0.000 2.528 96 Q HA 0.760 5.081 4.340 -0.031 0.000 0.289 96 Q C -1.183 174.759 176.000 -0.098 0.000 1.091 96 Q CA -1.432 54.327 55.803 -0.072 0.000 0.797 96 Q CB 1.805 30.559 28.738 0.028 0.000 1.466 96 Q HN -0.078 nan 8.270 nan 0.000 0.436 97 R N 0.129 120.504 120.500 -0.207 0.000 2.912 97 R HA 0.635 4.957 4.340 -0.031 0.000 0.262 97 R C -1.015 175.056 176.300 -0.382 0.000 1.057 97 R CA -0.925 54.911 56.100 -0.439 0.000 0.981 97 R CB 1.454 30.939 30.300 -1.359 0.000 1.201 97 R HN 0.623 nan 8.270 nan 0.000 0.484 98 L N 1.273 122.211 121.223 -0.475 0.000 2.329 98 L HA 0.615 4.937 4.340 -0.031 0.000 0.279 98 L C -0.548 176.122 176.870 -0.333 0.000 1.014 98 L CA -1.002 53.559 54.840 -0.465 0.000 0.814 98 L CB 2.057 43.727 42.059 -0.648 0.000 1.257 98 L HN 0.176 nan 8.230 nan 0.000 0.424 99 V N 0.431 120.176 119.914 -0.282 0.000 2.914 99 V HA 0.413 4.515 4.120 -0.031 0.000 0.314 99 V C -1.039 174.900 176.094 -0.257 0.000 1.084 99 V CA -0.888 61.308 62.300 -0.174 0.000 0.963 99 V CB 2.199 33.979 31.823 -0.072 0.000 1.025 99 V HN 0.657 nan 8.190 nan 0.000 0.432 100 W N 1.297 122.505 121.300 -0.154 0.000 2.390 100 W HA 0.702 5.344 4.660 -0.030 0.000 0.312 100 W C 0.126 176.572 176.519 -0.121 0.000 1.123 100 W CA -0.468 56.778 57.345 -0.164 0.000 1.202 100 W CB 1.587 30.865 29.460 -0.304 0.000 1.251 100 W HN 0.715 nan 8.180 nan 0.000 0.511 101 A N 3.558 126.551 122.820 0.288 0.000 2.287 101 A HA 0.430 4.731 4.320 -0.031 0.000 0.317 101 A C -0.750 176.971 177.584 0.229 0.000 1.220 101 A CA -0.647 51.467 52.037 0.128 0.000 0.835 101 A CB 0.595 19.627 19.000 0.054 0.000 1.180 101 A HN 0.758 nan 8.150 nan 0.000 0.500 102 C N 2.819 122.204 119.300 0.142 0.000 2.633 102 C HA 0.452 4.893 4.460 -0.031 0.000 0.415 102 C C 1.340 176.304 174.990 -0.043 0.000 1.393 102 C CA 0.742 59.798 59.018 0.064 0.000 1.700 102 C CB -0.582 27.157 27.740 -0.001 0.000 2.541 102 C HN 1.040 nan 8.230 nan 0.000 0.603 103 A N 4.134 126.917 122.820 -0.062 0.000 2.508 103 A HA 0.674 4.976 4.320 -0.031 0.000 0.250 103 A C 0.581 178.231 177.584 0.110 0.000 1.208 103 A CA 0.553 52.623 52.037 0.055 0.000 0.960 103 A CB -0.080 19.009 19.000 0.149 0.000 1.099 103 A HN 1.601 nan 8.150 nan 0.000 0.542 104 G N -1.141 107.623 108.800 -0.061 0.000 2.556 104 G HA2 0.532 4.473 3.960 -0.031 0.000 0.294 104 G HA3 0.532 4.473 3.960 -0.031 0.000 0.294 104 G C -1.630 173.063 174.900 -0.345 0.000 1.516 104 G CA -0.041 45.031 45.100 -0.047 0.000 0.824 104 G HN 0.698 nan 8.290 nan 0.000 0.535 105 V N -0.220 119.404 119.914 -0.484 0.000 3.178 105 V HA 0.852 4.953 4.120 -0.031 0.000 0.302 105 V C -0.901 174.878 176.094 -0.524 0.000 1.262 105 V CA -0.875 61.090 62.300 -0.559 0.000 1.030 105 V CB 2.322 33.868 31.823 -0.462 0.000 1.074 105 V HN 1.122 nan 8.190 nan 0.000 0.438 106 E N 1.609 121.483 120.200 -0.543 0.000 2.404 106 E HA 0.462 4.793 4.350 -0.031 0.000 0.298 106 E C -2.048 174.349 176.600 -0.338 0.000 0.908 106 E CA -0.566 55.591 56.400 -0.404 0.000 0.808 106 E CB 1.374 30.816 29.700 -0.430 0.000 1.380 106 E HN 0.589 nan 8.360 nan 0.000 0.392 107 I N 3.933 124.421 120.570 -0.137 0.000 2.322 107 I HA 0.313 4.464 4.170 -0.031 0.000 0.292 107 I C 0.853 176.866 176.117 -0.172 0.000 1.060 107 I CA 0.339 61.525 61.300 -0.191 0.000 1.309 107 I CB 1.266 39.186 38.000 -0.132 0.000 1.415 107 I HN 0.568 nan 8.210 nan 0.000 0.492 108 G N 6.827 115.498 108.800 -0.215 0.000 2.415 108 G HA2 0.502 4.444 3.960 -0.031 0.000 0.269 108 G HA3 0.502 4.444 3.960 -0.031 0.000 0.269 108 G C -0.210 174.560 174.900 -0.217 0.000 1.209 108 G CA -0.599 44.396 45.100 -0.175 0.000 0.835 108 G HN 0.378 nan 8.290 nan 0.000 0.534 109 R N 1.039 121.426 120.500 -0.187 0.000 2.621 109 R HA 0.456 4.777 4.340 -0.031 0.000 0.292 109 R C 0.841 177.032 176.300 -0.181 0.000 0.969 109 R CA -0.334 55.602 56.100 -0.273 0.000 0.887 109 R CB 1.902 32.051 30.300 -0.252 0.000 1.180 109 R HN 0.607 nan 8.270 nan 0.000 0.450 110 G N 1.569 110.245 108.800 -0.207 0.000 2.632 110 G HA2 -0.064 3.877 3.960 -0.031 0.000 0.220 110 G HA3 -0.064 3.877 3.960 -0.031 0.000 0.220 110 G C 0.180 175.031 174.900 -0.082 0.000 1.439 110 G CA 0.067 45.094 45.100 -0.121 0.000 0.934 110 G HN 0.356 nan 8.290 nan 0.000 0.536 111 Q N 1.171 120.926 119.800 -0.075 0.000 3.067 111 Q HA 0.144 4.465 4.340 -0.031 0.000 0.206 111 Q C -1.976 174.010 176.000 -0.023 0.000 1.160 111 Q CA -0.605 55.174 55.803 -0.039 0.000 1.181 111 Q CB -0.546 28.174 28.738 -0.030 0.000 1.354 111 Q HN 0.292 nan 8.270 nan 0.000 0.675 112 P HA 0.188 nan 4.420 nan 0.000 0.278 112 P C -0.481 176.828 177.300 0.016 0.000 1.258 112 P CA -0.616 62.487 63.100 0.004 0.000 0.811 112 P CB 0.614 32.319 31.700 0.008 0.000 1.063 113 L N 0.775 122.009 121.223 0.020 0.000 2.506 113 L HA 0.448 4.770 4.340 -0.031 0.000 0.281 113 L C 1.268 178.159 176.870 0.034 0.000 1.228 113 L CA 1.671 56.529 54.840 0.030 0.000 0.850 113 L CB -0.652 41.424 42.059 0.029 0.000 1.110 113 L HN 0.789 nan 8.230 nan 0.000 0.496 114 G N 1.384 110.209 108.800 0.042 0.000 2.523 114 G HA2 0.576 4.518 3.960 -0.031 0.000 0.291 114 G HA3 0.576 4.518 3.960 -0.031 0.000 0.291 114 G C -1.659 173.270 174.900 0.048 0.000 1.450 114 G CA -0.034 45.092 45.100 0.044 0.000 0.790 114 G HN 0.725 nan 8.290 nan 0.000 0.496 115 V N -2.102 117.840 119.914 0.048 0.000 2.960 115 V HA 1.074 5.176 4.120 -0.031 0.000 0.315 115 V C 0.223 176.346 176.094 0.049 0.000 1.087 115 V CA -0.254 62.081 62.300 0.057 0.000 0.982 115 V CB 1.641 33.502 31.823 0.064 0.000 1.039 115 V HN 2.072 nan 8.190 nan 0.000 0.437 116 G N 1.793 110.630 108.800 0.062 0.000 2.733 116 G HA2 0.634 4.576 3.960 -0.031 0.000 0.297 116 G HA3 0.634 4.576 3.960 -0.031 0.000 0.297 116 G C -1.532 173.394 174.900 0.044 0.000 1.422 116 G CA -0.939 44.189 45.100 0.047 0.000 0.942 116 G HN 0.875 nan 8.290 nan 0.000 0.510 117 L N 0.423 121.653 121.223 0.012 0.000 2.358 117 L HA 0.781 5.102 4.340 -0.031 0.000 0.268 117 L C 0.209 177.003 176.870 -0.127 0.000 1.032 117 L CA -0.863 53.929 54.840 -0.080 0.000 0.805 117 L CB 2.013 44.039 42.059 -0.054 0.000 1.253 117 L HN 0.506 nan 8.230 nan 0.000 0.452 118 S N -0.587 114.896 115.700 -0.363 0.000 2.541 118 S HA 0.838 5.290 4.470 -0.031 0.000 0.280 118 S C -0.287 174.055 174.600 -0.431 0.000 1.112 118 S CA -0.657 57.235 58.200 -0.513 0.000 0.925 118 S CB 2.162 64.935 63.200 -0.712 0.000 1.067 118 S HN 0.892 nan 8.310 nan 0.000 0.479 119 G N 0.704 109.236 108.800 -0.446 0.000 2.727 119 G HA2 0.654 4.596 3.960 -0.031 0.000 0.289 119 G HA3 0.654 4.596 3.960 -0.031 0.000 0.289 119 G C -2.102 172.715 174.900 -0.139 0.000 1.418 119 G CA -0.437 44.524 45.100 -0.232 0.000 0.818 119 G HN 0.639 nan 8.290 nan 0.000 0.486 120 H N -0.095 118.903 119.070 -0.120 0.000 2.759 120 H HA 0.406 4.943 4.556 -0.031 0.000 0.354 120 H C -2.104 173.135 175.328 -0.148 0.000 1.074 120 H CA -1.605 54.395 56.048 -0.080 0.000 1.226 120 H CB 3.042 32.831 29.762 0.044 0.000 1.648 120 H HN 0.116 nan 8.280 nan 0.000 0.529 121 P HA -0.066 nan 4.420 nan 0.000 0.218 121 P C -0.093 176.893 177.300 -0.524 0.000 1.148 121 P CA 1.408 64.204 63.100 -0.506 0.000 0.822 121 P CB 0.076 31.157 31.700 -1.032 0.000 0.784 122 F N -3.466 116.786 119.950 0.504 0.000 2.761 122 F HA 0.263 4.772 4.527 -0.030 0.000 0.367 122 F C 0.294 176.023 175.800 -0.117 0.000 1.386 122 F CA -1.239 56.841 58.000 0.133 0.000 1.177 122 F CB -0.425 38.632 39.000 0.094 0.000 1.092 122 F HN -0.207 nan 8.300 nan 0.000 0.517 123 Y N 2.165 122.385 120.300 -0.134 0.000 2.717 123 Y HA -0.023 4.509 4.550 -0.030 0.000 0.330 123 Y C 0.776 176.548 175.900 -0.214 0.000 1.217 123 Y CA -0.070 57.868 58.100 -0.270 0.000 1.506 123 Y CB 0.353 38.689 38.460 -0.208 0.000 1.268 123 Y HN 0.219 nan 8.280 nan 0.000 0.561 124 N N 6.587 125.017 118.700 -0.450 0.000 2.508 124 N HA 0.069 4.791 4.740 -0.031 0.000 0.253 124 N C -1.354 174.027 175.510 -0.215 0.000 1.145 124 N CA 0.002 52.884 53.050 -0.280 0.000 0.973 124 N CB -0.163 38.150 38.487 -0.291 0.000 1.305 124 N HN 0.610 nan 8.380 nan 0.000 0.506 125 K N 4.396 124.734 120.400 -0.103 0.000 2.579 125 K HA 0.132 4.433 4.320 -0.031 0.000 0.250 125 K C -0.019 176.498 176.600 -0.138 0.000 0.952 125 K CA -0.594 55.598 56.287 -0.159 0.000 0.857 125 K CB 1.169 33.410 32.500 -0.431 0.000 1.123 125 K HN 0.268 nan 8.250 nan 0.000 0.433 126 L N 3.755 124.946 121.223 -0.054 0.000 1.995 126 L HA 0.100 4.421 4.340 -0.031 0.000 0.206 126 L C -0.124 176.743 176.870 -0.005 0.000 1.098 126 L CA 1.950 56.777 54.840 -0.021 0.000 0.762 126 L CB -0.059 42.007 42.059 0.011 0.000 0.900 126 L HN 0.882 nan 8.230 nan 0.000 0.441 127 D N -2.764 117.681 120.400 0.074 0.000 2.652 127 D HA 0.252 4.874 4.640 -0.031 0.000 0.285 127 D C -1.483 175.004 176.300 0.312 0.000 1.173 127 D CA -0.651 53.425 54.000 0.126 0.000 0.981 127 D CB 0.139 41.005 40.800 0.110 0.000 1.440 127 D HN 0.028 nan 8.370 nan 0.000 0.485 128 D N -0.952 119.645 120.400 0.329 0.000 2.336 128 D HA 0.289 4.911 4.640 -0.031 0.000 0.249 128 D C 0.413 176.894 176.300 0.302 0.000 1.213 128 D CA -0.150 54.102 54.000 0.419 0.000 0.870 128 D CB 0.613 41.606 40.800 0.322 0.000 1.076 128 D HN 0.405 nan 8.370 nan 0.000 0.483 129 T N 0.034 114.793 114.554 0.341 0.000 3.214 129 T HA 0.135 4.467 4.350 -0.031 0.000 0.264 129 T C 1.128 175.965 174.700 0.227 0.000 1.012 129 T CA -0.437 61.828 62.100 0.274 0.000 0.901 129 T CB 0.228 69.301 68.868 0.342 0.000 1.070 129 T HN 0.463 nan 8.240 nan 0.000 0.561 130 E N 1.911 122.215 120.200 0.173 0.000 2.086 130 E HA -0.023 4.309 4.350 -0.031 0.000 0.190 130 E C 0.849 177.449 176.600 -0.000 0.000 0.975 130 E CA 1.076 57.495 56.400 0.031 0.000 0.813 130 E CB 0.320 29.811 29.700 -0.348 0.000 0.768 130 E HN 0.611 nan 8.360 nan 0.000 0.457 131 S N -0.078 115.630 115.700 0.012 0.000 2.663 131 S HA 0.011 4.463 4.470 -0.031 0.000 0.215 131 S C -0.384 174.225 174.600 0.016 0.000 0.758 131 S CA -0.092 58.105 58.200 -0.004 0.000 0.967 131 S CB -0.805 62.361 63.200 -0.058 0.000 1.586 131 S HN 0.192 nan 8.310 nan 0.000 0.506 132 S N 1.623 117.366 115.700 0.071 0.000 2.810 132 S HA -0.065 4.387 4.470 -0.031 0.000 0.329 132 S C 1.158 175.815 174.600 0.095 0.000 1.231 132 S CA 0.151 58.412 58.200 0.102 0.000 1.042 132 S CB -0.230 63.043 63.200 0.122 0.000 0.756 132 S HN 0.518 nan 8.310 nan 0.000 0.504 133 H N 2.985 122.080 119.070 0.042 0.000 2.407 133 H HA -0.212 4.327 4.556 -0.030 0.000 0.293 133 H C 1.164 176.509 175.328 0.029 0.000 1.122 133 H CA 2.126 58.192 56.048 0.031 0.000 1.232 133 H CB -0.230 29.549 29.762 0.029 0.000 1.361 133 H HN 0.913 nan 8.280 nan 0.000 0.498 134 A N -1.334 121.594 122.820 0.180 0.000 5.168 134 A HA 0.638 4.939 4.320 -0.031 0.000 0.202 134 A C 0.213 177.850 177.584 0.089 0.000 0.857 134 A CA 0.152 52.256 52.037 0.111 0.000 0.757 134 A CB -0.368 18.690 19.000 0.097 0.000 1.957 134 A HN 0.382 nan 8.150 nan 0.000 0.959 135 A N -0.703 122.159 122.820 0.069 0.000 2.180 135 A HA 0.549 4.850 4.320 -0.031 0.000 0.287 135 A C 0.883 178.507 177.584 0.067 0.000 1.417 135 A CA 1.573 53.647 52.037 0.061 0.000 0.858 135 A CB -0.808 18.219 19.000 0.045 0.000 1.208 135 A HN 2.419 nan 8.150 nan 0.000 0.522 136 T N -4.022 110.565 114.554 0.055 0.000 2.671 136 T HA 0.553 4.884 4.350 -0.031 0.000 0.300 136 T C 0.140 174.862 174.700 0.036 0.000 1.238 136 T CA 0.058 62.191 62.100 0.054 0.000 1.020 136 T CB 0.126 69.037 68.868 0.071 0.000 1.503 136 T HN 1.896 nan 8.240 nan 0.000 0.497 137 S N 0.873 116.591 115.700 0.030 0.000 2.564 137 S HA 0.090 4.542 4.470 -0.031 0.000 0.263 137 S C 0.283 174.891 174.600 0.013 0.000 1.378 137 S CA -0.247 57.964 58.200 0.018 0.000 0.996 137 S CB -0.619 62.588 63.200 0.012 0.000 0.881 137 S HN 0.964 nan 8.310 nan 0.000 0.555 138 N N -0.254 118.450 118.700 0.006 0.000 2.513 138 N HA 0.155 4.877 4.740 -0.031 0.000 0.268 138 N C 0.120 175.628 175.510 -0.003 0.000 1.180 138 N CA -0.342 52.709 53.050 0.002 0.000 0.948 138 N CB 0.593 39.080 38.487 0.000 0.000 1.083 138 N HN 0.498 nan 8.380 nan 0.000 0.455 139 V N 2.829 122.739 119.914 -0.006 0.000 3.387 139 V HA -0.045 4.057 4.120 -0.031 0.000 0.353 139 V C 1.829 177.913 176.094 -0.016 0.000 1.193 139 V CA 0.543 62.835 62.300 -0.014 0.000 1.379 139 V CB -1.800 30.013 31.823 -0.017 0.000 1.157 139 V HN 0.791 nan 8.190 nan 0.000 0.431 140 S N 1.059 116.751 115.700 -0.014 0.000 2.363 140 S HA -0.260 4.192 4.470 -0.031 0.000 0.218 140 S C 1.575 176.162 174.600 -0.022 0.000 1.035 140 S CA 1.930 60.121 58.200 -0.015 0.000 1.043 140 S CB -0.012 63.181 63.200 -0.012 0.000 0.986 140 S HN 0.752 nan 8.310 nan 0.000 0.423 141 E N -0.387 119.798 120.200 -0.024 0.000 2.895 141 E HA 0.073 4.405 4.350 -0.031 0.000 0.254 141 E C -1.341 175.234 176.600 -0.041 0.000 1.139 141 E CA 0.325 56.706 56.400 -0.032 0.000 1.832 141 E CB 0.334 30.015 29.700 -0.032 0.000 2.683 141 E HN 0.386 nan 8.360 nan 0.000 1.040 142 D N 0.612 120.989 120.400 -0.039 0.000 2.402 142 D HA 0.272 4.894 4.640 -0.031 0.000 0.252 142 D C -0.839 175.446 176.300 -0.025 0.000 1.294 142 D CA -0.295 53.677 54.000 -0.047 0.000 0.948 142 D CB 1.936 42.697 40.800 -0.066 0.000 1.202 142 D HN 0.011 nan 8.370 nan 0.000 0.561 143 V N 4.536 124.436 119.914 -0.022 0.000 2.915 143 V HA 0.267 4.369 4.120 -0.031 0.000 0.364 143 V C 0.878 176.967 176.094 -0.008 0.000 1.354 143 V CA -0.364 61.929 62.300 -0.012 0.000 1.213 143 V CB -0.444 31.367 31.823 -0.019 0.000 1.268 143 V HN 0.342 nan 8.190 nan 0.000 0.557 144 R N 1.302 121.813 120.500 0.019 0.000 2.543 144 R HA 0.367 4.688 4.340 -0.031 0.000 0.277 144 R C -0.711 175.637 176.300 0.080 0.000 1.074 144 R CA 0.140 56.273 56.100 0.055 0.000 1.076 144 R CB 0.599 30.973 30.300 0.124 0.000 0.993 144 R HN 0.297 nan 8.270 nan 0.000 0.459 145 D N 0.540 120.959 120.400 0.032 0.000 2.490 145 D HA 0.097 4.718 4.640 -0.031 0.000 0.232 145 D C -0.875 175.407 176.300 -0.030 0.000 1.053 145 D CA -0.682 53.311 54.000 -0.013 0.000 0.914 145 D CB 1.528 42.272 40.800 -0.093 0.000 1.431 145 D HN 0.325 nan 8.370 nan 0.000 0.483 146 N N 1.186 119.846 118.700 -0.066 0.000 2.422 146 N HA 0.282 5.003 4.740 -0.031 0.000 0.264 146 N C -0.905 174.529 175.510 -0.127 0.000 1.063 146 N CA -0.228 52.764 53.050 -0.098 0.000 0.959 146 N CB 0.714 39.130 38.487 -0.119 0.000 1.087 146 N HN 0.266 nan 8.380 nan 0.000 0.483 147 V N 1.027 120.846 119.914 -0.157 0.000 3.040 147 V HA 0.887 4.989 4.120 -0.031 0.000 0.312 147 V C -0.236 175.735 176.094 -0.204 0.000 1.115 147 V CA -0.763 61.390 62.300 -0.246 0.000 0.998 147 V CB 1.427 32.939 31.823 -0.518 0.000 1.042 147 V HN 0.740 nan 8.190 nan 0.000 0.433 148 S N 1.842 117.442 115.700 -0.167 0.000 2.704 148 S HA 0.959 5.411 4.470 -0.031 0.000 0.296 148 S C -0.867 173.653 174.600 -0.134 0.000 1.138 148 S CA -0.321 57.785 58.200 -0.158 0.000 0.875 148 S CB 1.742 64.870 63.200 -0.120 0.000 1.151 148 S HN 2.315 nan 8.310 nan 0.000 0.500 149 V N 1.203 121.010 119.914 -0.179 0.000 3.023 149 V HA 0.439 4.541 4.120 -0.031 0.000 0.294 149 V C -2.162 173.777 176.094 -0.259 0.000 1.324 149 V CA -0.664 61.547 62.300 -0.148 0.000 0.979 149 V CB 2.100 33.899 31.823 -0.040 0.000 1.093 149 V HN 1.198 nan 8.190 nan 0.000 0.434 150 D N 5.344 125.652 120.400 -0.154 0.000 2.280 150 D HA 0.288 4.910 4.640 -0.031 0.000 0.243 150 D C -0.335 175.927 176.300 -0.064 0.000 1.129 150 D CA -0.109 53.821 54.000 -0.115 0.000 0.848 150 D CB 0.985 41.779 40.800 -0.010 0.000 1.107 150 D HN 0.550 nan 8.370 nan 0.000 0.471 151 Y N 0.595 120.843 120.300 -0.087 0.000 2.230 151 Y HA 0.070 4.600 4.550 -0.033 0.000 0.354 151 Y C 1.600 177.479 175.900 -0.035 0.000 1.343 151 Y CA -1.016 56.968 58.100 -0.193 0.000 1.693 151 Y CB 0.806 38.878 38.460 -0.647 0.000 1.553 151 Y HN 0.315 nan 8.280 nan 0.000 0.599 152 K N 1.380 121.877 120.400 0.162 0.000 2.276 152 K HA 0.036 4.338 4.320 -0.031 0.000 0.259 152 K C -0.706 176.030 176.600 0.227 0.000 1.001 152 K CA -0.495 55.863 56.287 0.119 0.000 0.927 152 K CB 0.674 33.204 32.500 0.051 0.000 0.969 152 K HN 0.672 nan 8.250 nan 0.000 0.490 153 Q N 1.958 121.868 119.800 0.184 0.000 2.257 153 Q HA 0.232 4.553 4.340 -0.031 0.000 0.255 153 Q C -1.400 174.700 176.000 0.167 0.000 0.920 153 Q CA -0.415 55.508 55.803 0.199 0.000 0.927 153 Q CB 1.492 30.320 28.738 0.150 0.000 1.229 153 Q HN 0.729 nan 8.270 nan 0.000 0.433 154 T N 3.567 118.226 114.554 0.175 0.000 2.916 154 T HA 0.438 4.769 4.350 -0.031 0.000 0.305 154 T C -1.300 173.479 174.700 0.132 0.000 1.119 154 T CA -0.801 61.389 62.100 0.149 0.000 1.008 154 T CB 1.724 70.696 68.868 0.174 0.000 1.129 154 T HN 0.598 nan 8.240 nan 0.000 0.480 155 Q N 1.682 121.544 119.800 0.104 0.000 2.289 155 Q HA 0.755 5.077 4.340 -0.031 0.000 0.270 155 Q C -1.440 174.621 176.000 0.103 0.000 1.038 155 Q CA -1.086 54.785 55.803 0.113 0.000 0.812 155 Q CB 2.770 31.469 28.738 -0.065 0.000 1.300 155 Q HN 0.659 nan 8.270 nan 0.000 0.427 156 L N -1.079 120.280 121.223 0.226 0.000 2.518 156 L HA 0.963 5.285 4.340 -0.031 0.000 0.257 156 L C -1.625 175.444 176.870 0.331 0.000 0.980 156 L CA -0.677 54.292 54.840 0.215 0.000 0.837 156 L CB 2.298 44.487 42.059 0.217 0.000 1.410 156 L HN 0.795 nan 8.230 nan 0.000 0.410 157 C N 3.340 122.802 119.300 0.269 0.000 2.752 157 C HA 0.848 5.289 4.460 -0.031 0.000 0.360 157 C C -1.155 173.993 174.990 0.263 0.000 1.081 157 C CA -0.331 58.885 59.018 0.330 0.000 1.272 157 C CB 0.408 28.412 27.740 0.441 0.000 1.754 157 C HN 0.880 nan 8.230 nan 0.000 0.483 158 I N 5.739 126.465 120.570 0.260 0.000 2.647 158 I HA 0.538 4.689 4.170 -0.031 0.000 0.295 158 I C -0.755 175.511 176.117 0.248 0.000 1.078 158 I CA -0.677 60.762 61.300 0.232 0.000 1.048 158 I CB 1.908 39.979 38.000 0.118 0.000 1.239 158 I HN 0.503 nan 8.210 nan 0.000 0.421 159 L N 3.900 125.298 121.223 0.291 0.000 2.354 159 L HA 0.937 5.259 4.340 -0.031 0.000 0.269 159 L C 0.006 176.718 176.870 -0.263 0.000 1.005 159 L CA -0.502 54.453 54.840 0.191 0.000 0.819 159 L CB 2.201 44.508 42.059 0.413 0.000 1.311 159 L HN 0.827 nan 8.230 nan 0.000 0.423 160 G N -0.356 108.171 108.800 -0.455 0.000 2.466 160 G HA2 0.332 4.274 3.960 -0.031 0.000 0.291 160 G HA3 0.332 4.274 3.960 -0.031 0.000 0.291 160 G C -0.715 174.019 174.900 -0.276 0.000 1.460 160 G CA -0.358 44.177 45.100 -0.941 0.000 0.791 160 G HN 0.755 nan 8.290 nan 0.000 0.505 161 C N -0.552 118.692 119.300 -0.093 0.000 2.470 161 C HA 0.828 5.270 4.460 -0.031 0.000 0.311 161 C C 0.746 175.911 174.990 0.292 0.000 1.387 161 C CA -0.316 58.850 59.018 0.247 0.000 1.783 161 C CB -1.636 26.303 27.740 0.331 0.000 2.416 161 C HN 1.727 nan 8.230 nan 0.000 0.558 162 A N 1.260 124.130 122.820 0.084 0.000 2.577 162 A HA 0.835 5.137 4.320 -0.031 0.000 0.297 162 A C -3.017 174.044 177.584 -0.871 0.000 1.060 162 A CA -0.881 50.947 52.037 -0.347 0.000 0.697 162 A CB 1.024 19.949 19.000 -0.126 0.000 1.281 162 A HN 0.210 nan 8.150 nan 0.000 0.402 163 P HA 0.336 nan 4.420 nan 0.000 0.268 163 P C 0.185 177.152 177.300 -0.555 0.000 1.208 163 P CA 0.425 62.754 63.100 -1.285 0.000 0.777 163 P CB 0.931 31.801 31.700 -1.383 0.000 0.875 164 A N 2.645 125.251 122.820 -0.357 0.000 2.287 164 A HA 0.476 4.778 4.320 -0.031 0.000 0.273 164 A C 0.081 177.525 177.584 -0.234 0.000 1.091 164 A CA -0.438 51.450 52.037 -0.248 0.000 0.817 164 A CB -0.160 18.720 19.000 -0.200 0.000 1.069 164 A HN 0.476 nan 8.150 nan 0.000 0.492 165 I N 0.315 120.757 120.570 -0.213 0.000 2.377 165 I HA 0.541 4.693 4.170 -0.031 0.000 0.293 165 I C 0.829 176.820 176.117 -0.210 0.000 0.987 165 I CA 0.569 61.756 61.300 -0.187 0.000 1.185 165 I CB 1.852 39.765 38.000 -0.145 0.000 1.341 165 I HN 0.718 nan 8.210 nan 0.000 0.455 166 G N 4.347 113.037 108.800 -0.182 0.000 2.644 166 G HA2 0.765 4.706 3.960 -0.031 0.000 0.307 166 G HA3 0.765 4.706 3.960 -0.031 0.000 0.307 166 G C -1.306 173.552 174.900 -0.070 0.000 1.250 166 G CA -0.477 44.533 45.100 -0.150 0.000 0.996 166 G HN 0.599 nan 8.290 nan 0.000 0.489 167 E N -0.954 119.237 120.200 -0.014 0.000 2.336 167 E HA 0.682 5.013 4.350 -0.031 0.000 0.267 167 E C -1.237 175.386 176.600 0.038 0.000 0.906 167 E CA -1.009 55.358 56.400 -0.056 0.000 0.781 167 E CB 2.413 32.050 29.700 -0.105 0.000 1.261 167 E HN 0.784 nan 8.360 nan 0.000 0.436 168 H N -0.293 118.647 119.070 -0.217 0.000 3.043 168 H HA 0.192 4.729 4.556 -0.031 0.000 0.317 168 H C -1.969 173.161 175.328 -0.330 0.000 1.321 168 H CA -1.127 54.822 56.048 -0.164 0.000 1.243 168 H CB 0.032 29.781 29.762 -0.022 0.000 1.924 168 H HN 0.623 nan 8.280 nan 0.000 0.527 169 W N 1.601 122.898 121.300 -0.004 0.000 2.316 169 W HA 0.676 5.317 4.660 -0.032 0.000 0.321 169 W C 0.113 176.599 176.519 -0.055 0.000 1.203 169 W CA 0.319 57.608 57.345 -0.094 0.000 1.214 169 W CB 1.506 30.934 29.460 -0.053 0.000 1.169 169 W HN 0.847 nan 8.180 nan 0.000 0.561 170 A N 2.326 125.191 122.820 0.076 0.000 2.530 170 A HA 0.591 4.893 4.320 -0.031 0.000 0.288 170 A C -1.135 176.498 177.584 0.081 0.000 1.172 170 A CA -1.150 50.939 52.037 0.086 0.000 0.733 170 A CB 1.503 20.521 19.000 0.030 0.000 1.320 170 A HN 0.532 nan 8.150 nan 0.000 0.419 171 K N 1.167 121.603 120.400 0.060 0.000 2.338 171 K HA 0.345 4.646 4.320 -0.031 0.000 0.290 171 K C 0.590 177.210 176.600 0.033 0.000 1.069 171 K CA 0.227 56.539 56.287 0.043 0.000 0.941 171 K CB 0.019 32.537 32.500 0.029 0.000 1.023 171 K HN 0.903 nan 8.250 nan 0.000 0.477 172 G N 2.874 111.696 108.800 0.036 0.000 2.630 172 G HA2 -0.044 3.898 3.960 -0.031 0.000 0.236 172 G HA3 -0.044 3.898 3.960 -0.031 0.000 0.236 172 G C -0.427 174.482 174.900 0.015 0.000 1.248 172 G CA -0.385 44.730 45.100 0.026 0.000 0.844 172 G HN 0.648 nan 8.290 nan 0.000 0.588 173 T N 1.137 115.696 114.554 0.009 0.000 2.814 173 T HA 0.434 4.765 4.350 -0.031 0.000 0.297 173 T C 0.833 175.536 174.700 0.006 0.000 0.956 173 T CA 0.251 62.354 62.100 0.005 0.000 1.123 173 T CB 1.115 69.984 68.868 0.001 0.000 0.902 173 T HN 0.862 nan 8.240 nan 0.000 0.528 174 A N 4.391 127.214 122.820 0.005 0.000 2.537 174 A HA 0.376 4.678 4.320 -0.031 0.000 0.260 174 A C 1.052 178.638 177.584 0.002 0.000 1.082 174 A CA -0.630 51.409 52.037 0.004 0.000 0.765 174 A CB -0.424 18.578 19.000 0.003 0.000 1.019 174 A HN 0.960 nan 8.150 nan 0.000 0.507 175 S N 2.428 118.130 115.700 0.003 0.000 2.558 175 S HA 0.101 4.553 4.470 -0.031 0.000 0.288 175 S C 0.916 175.516 174.600 0.001 0.000 1.318 175 S CA 0.289 58.490 58.200 0.002 0.000 1.056 175 S CB 0.720 63.921 63.200 0.002 0.000 0.853 175 S HN 0.790 nan 8.310 nan 0.000 0.505 176 K N 1.471 121.871 120.400 -0.000 0.000 2.211 176 K HA -0.029 4.272 4.320 -0.031 0.000 0.201 176 K C 2.152 178.752 176.600 -0.001 0.000 1.052 176 K CA 0.950 57.236 56.287 -0.001 0.000 0.973 176 K CB -0.480 32.020 32.500 -0.001 0.000 0.766 176 K HN 0.685 nan 8.250 nan 0.000 0.466 177 S N 0.914 116.614 115.700 -0.000 0.000 2.345 177 S HA -0.068 4.383 4.470 -0.031 0.000 0.220 177 S C 1.373 175.972 174.600 -0.000 0.000 1.031 177 S CA 0.385 58.585 58.200 -0.000 0.000 0.996 177 S CB -0.186 63.014 63.200 -0.000 0.000 0.882 177 S HN 0.118 nan 8.310 nan 0.000 0.445 178 R N 2.988 123.488 120.500 -0.000 0.000 2.396 178 R HA 0.463 4.784 4.340 -0.031 0.000 0.292 178 R C -2.872 173.428 176.300 -0.000 0.000 1.240 178 R CA -2.372 53.728 56.100 -0.000 0.000 1.270 178 R CB 0.807 31.107 30.300 0.000 0.000 1.108 178 R HN 0.423 nan 8.270 nan 0.000 0.573 179 P HA 0.072 nan 4.420 nan 0.000 0.272 179 P C -0.601 176.698 177.300 -0.002 0.000 1.240 179 P CA -0.622 62.478 63.100 -0.001 0.000 0.791 179 P CB 1.112 32.811 31.700 -0.002 0.000 0.978 180 L N 1.734 122.956 121.223 -0.002 0.000 2.280 180 L HA 0.245 4.567 4.340 -0.031 0.000 0.287 180 L C 0.343 177.211 176.870 -0.003 0.000 1.023 180 L CA -0.172 54.666 54.840 -0.002 0.000 0.819 180 L CB 0.648 42.706 42.059 -0.002 0.000 1.212 180 L HN 0.451 nan 8.230 nan 0.000 0.420 181 S N 2.940 118.638 115.700 -0.004 0.000 2.560 181 S HA 0.178 4.630 4.470 -0.031 0.000 0.284 181 S C 0.088 174.684 174.600 -0.006 0.000 1.327 181 S CA -0.537 57.660 58.200 -0.005 0.000 1.055 181 S CB 0.585 63.782 63.200 -0.005 0.000 0.868 181 S HN 0.639 nan 8.310 nan 0.000 0.506 182 Q N 1.632 121.428 119.800 -0.007 0.000 2.274 182 Q HA 0.418 4.740 4.340 -0.031 0.000 0.280 182 Q C 1.281 177.275 176.000 -0.010 0.000 1.047 182 Q CA 1.600 57.398 55.803 -0.008 0.000 0.907 182 Q CB -0.039 28.694 28.738 -0.008 0.000 1.171 182 Q HN 1.368 nan 8.270 nan 0.000 0.381 183 G N 3.210 112.004 108.800 -0.011 0.000 2.238 183 G HA2 -0.199 3.743 3.960 -0.031 0.000 0.217 183 G HA3 -0.199 3.743 3.960 -0.031 0.000 0.217 183 G C -0.213 174.678 174.900 -0.014 0.000 0.996 183 G CA -0.049 45.043 45.100 -0.013 0.000 0.632 183 G HN 0.632 nan 8.290 nan 0.000 0.503 184 D N -0.165 120.228 120.400 -0.012 0.000 2.383 184 D HA 0.526 5.147 4.640 -0.031 0.000 0.248 184 D C 0.589 176.882 176.300 -0.013 0.000 1.170 184 D CA 0.044 54.037 54.000 -0.012 0.000 0.977 184 D CB 1.268 42.062 40.800 -0.009 0.000 1.120 184 D HN 0.381 nan 8.370 nan 0.000 0.481 185 C N 2.442 121.732 119.300 -0.015 0.000 2.369 185 C HA 0.548 4.990 4.460 -0.031 0.000 0.358 185 C C -2.102 172.880 174.990 -0.014 0.000 1.274 185 C CA -1.426 57.581 59.018 -0.018 0.000 1.935 185 C CB -0.380 27.345 27.740 -0.025 0.000 2.431 185 C HN 0.443 nan 8.230 nan 0.000 0.545 186 P HA 0.390 nan 4.420 nan 0.000 0.274 186 P C -2.784 174.516 177.300 -0.001 0.000 1.256 186 P CA -1.065 62.034 63.100 -0.002 0.000 0.795 186 P CB 0.096 31.798 31.700 0.003 0.000 1.038 187 P HA 0.229 nan 4.420 nan 0.000 0.288 187 P C -0.721 176.605 177.300 0.044 0.000 1.267 187 P CA -0.302 62.808 63.100 0.016 0.000 0.815 187 P CB 0.747 32.458 31.700 0.019 0.000 0.989 188 L N 2.134 123.394 121.223 0.061 0.000 2.350 188 L HA 0.434 4.756 4.340 -0.031 0.000 0.275 188 L C 0.833 177.867 176.870 0.274 0.000 1.099 188 L CA 0.086 55.025 54.840 0.165 0.000 0.808 188 L CB 0.054 42.179 42.059 0.109 0.000 1.149 188 L HN 0.595 nan 8.230 nan 0.000 0.442 189 E N 1.993 122.352 120.200 0.265 0.000 2.272 189 E HA 0.332 4.663 4.350 -0.031 0.000 0.269 189 E C -1.477 175.062 176.600 -0.101 0.000 0.877 189 E CA -0.939 55.541 56.400 0.134 0.000 0.755 189 E CB 2.469 32.184 29.700 0.024 0.000 1.192 189 E HN 0.392 nan 8.360 nan 0.000 0.422 190 L N 4.194 125.163 121.223 -0.425 0.000 2.361 190 L HA 0.296 4.617 4.340 -0.031 0.000 0.278 190 L C -0.702 175.830 176.870 -0.563 0.000 1.113 190 L CA 0.476 54.769 54.840 -0.912 0.000 0.849 190 L CB 0.263 41.725 42.059 -0.996 0.000 1.155 190 L HN 0.427 nan 8.230 nan 0.000 0.452 191 K N 4.053 124.066 120.400 -0.644 0.000 2.206 191 K HA 0.382 4.684 4.320 -0.031 0.000 0.264 191 K C -0.690 175.711 176.600 -0.331 0.000 0.967 191 K CA -0.869 55.145 56.287 -0.455 0.000 0.844 191 K CB 1.075 33.304 32.500 -0.451 0.000 1.099 191 K HN 0.560 nan 8.250 nan 0.000 0.441 192 N N 1.289 119.871 118.700 -0.197 0.000 2.518 192 N HA 0.242 4.964 4.740 -0.031 0.000 0.283 192 N C -0.541 174.925 175.510 -0.074 0.000 1.119 192 N CA 0.205 53.180 53.050 -0.124 0.000 0.983 192 N CB 1.758 40.182 38.487 -0.105 0.000 1.139 192 N HN 0.580 nan 8.380 nan 0.000 0.465 193 T N -0.784 113.739 114.554 -0.053 0.000 2.885 193 T HA 0.298 4.630 4.350 -0.031 0.000 0.322 193 T C -1.172 173.482 174.700 -0.076 0.000 1.387 193 T CA -0.643 61.435 62.100 -0.036 0.000 1.041 193 T CB 0.601 69.482 68.868 0.023 0.000 1.287 193 T HN 0.018 nan 8.240 nan 0.000 0.491 194 V N 4.539 124.405 119.914 -0.080 0.000 2.555 194 V HA 0.323 4.425 4.120 -0.031 0.000 0.286 194 V C 0.485 176.498 176.094 -0.136 0.000 1.044 194 V CA -0.372 61.861 62.300 -0.112 0.000 1.026 194 V CB 0.755 32.528 31.823 -0.083 0.000 0.981 194 V HN 0.728 nan 8.190 nan 0.000 0.480 195 L N 6.162 127.273 121.223 -0.186 0.000 2.325 195 L HA 0.323 4.645 4.340 -0.031 0.000 0.284 195 L C 0.494 177.303 176.870 -0.102 0.000 1.089 195 L CA 0.219 54.901 54.840 -0.263 0.000 0.836 195 L CB 0.024 41.810 42.059 -0.455 0.000 1.184 195 L HN 0.691 nan 8.230 nan 0.000 0.444 196 E N 1.507 121.647 120.200 -0.100 0.000 2.227 196 E HA 0.185 4.516 4.350 -0.031 0.000 0.268 196 E C -0.931 175.682 176.600 0.022 0.000 0.990 196 E CA -0.990 55.384 56.400 -0.043 0.000 0.856 196 E CB 1.444 31.023 29.700 -0.200 0.000 1.159 196 E HN 0.397 nan 8.360 nan 0.000 0.401 197 D N -0.063 120.389 120.400 0.088 0.000 2.472 197 D HA 0.170 4.792 4.640 -0.031 0.000 0.248 197 D C 0.768 177.104 176.300 0.060 0.000 1.174 197 D CA 1.832 55.887 54.000 0.092 0.000 0.883 197 D CB 0.134 41.001 40.800 0.113 0.000 1.149 197 D HN 0.612 nan 8.370 nan 0.000 0.488 198 G N 3.399 112.264 108.800 0.108 0.000 2.218 198 G HA2 -0.213 3.729 3.960 -0.031 0.000 0.216 198 G HA3 -0.213 3.729 3.960 -0.031 0.000 0.216 198 G C 0.010 174.992 174.900 0.137 0.000 0.994 198 G CA -0.102 45.062 45.100 0.106 0.000 0.637 198 G HN 0.607 nan 8.290 nan 0.000 0.505 199 D N 1.798 122.288 120.400 0.151 0.000 2.382 199 D HA 0.418 5.040 4.640 -0.031 0.000 0.240 199 D C 1.230 177.731 176.300 0.336 0.000 1.146 199 D CA 0.287 54.392 54.000 0.175 0.000 0.897 199 D CB 0.531 41.375 40.800 0.073 0.000 1.197 199 D HN 0.122 nan 8.370 nan 0.000 0.432 200 M N 0.891 120.648 119.600 0.261 0.000 2.291 200 M HA 0.251 4.713 4.480 -0.031 0.000 0.324 200 M C 0.316 176.804 176.300 0.313 0.000 1.148 200 M CA -0.864 54.589 55.300 0.256 0.000 1.104 200 M CB 1.130 33.826 32.600 0.160 0.000 1.483 200 M HN 0.153 nan 8.290 nan 0.000 0.467 201 V N -1.328 118.674 119.914 0.147 0.000 3.234 201 V HA 0.428 4.530 4.120 -0.031 0.000 0.317 201 V C -0.137 176.032 176.094 0.125 0.000 1.081 201 V CA -1.108 61.260 62.300 0.114 0.000 1.037 201 V CB 1.027 32.806 31.823 -0.073 0.000 1.148 201 V HN 0.819 nan 8.190 nan 0.000 0.453 202 D N 1.518 122.020 120.400 0.171 0.000 2.389 202 D HA 0.086 4.708 4.640 -0.031 0.000 0.263 202 D C 1.294 177.585 176.300 -0.014 0.000 1.255 202 D CA 0.814 54.882 54.000 0.112 0.000 0.914 202 D CB 0.952 41.812 40.800 0.100 0.000 1.116 202 D HN 0.931 nan 8.370 nan 0.000 0.502 203 T N 0.743 115.187 114.554 -0.184 0.000 3.107 203 T HA 0.340 4.672 4.350 -0.031 0.000 0.249 203 T C 1.385 175.950 174.700 -0.225 0.000 1.096 203 T CA 0.183 62.013 62.100 -0.450 0.000 1.012 203 T CB 0.261 68.178 68.868 -1.584 0.000 0.977 203 T HN 0.591 nan 8.240 nan 0.000 0.527 204 G N 0.320 109.068 108.800 -0.086 0.000 2.273 204 G HA2 -0.163 3.779 3.960 -0.031 0.000 0.162 204 G HA3 -0.163 3.779 3.960 -0.031 0.000 0.162 204 G C 0.212 175.008 174.900 -0.174 0.000 1.006 204 G CA -0.259 44.769 45.100 -0.119 0.000 0.704 204 G HN 0.499 nan 8.290 nan 0.000 0.487 205 Y N 1.436 121.745 120.300 0.014 0.000 2.555 205 Y HA 0.477 5.010 4.550 -0.028 0.000 0.259 205 Y C 1.547 177.594 175.900 0.246 0.000 1.179 205 Y CA 0.689 58.871 58.100 0.137 0.000 1.230 205 Y CB 0.877 39.417 38.460 0.133 0.000 1.146 205 Y HN 1.009 nan 8.280 nan 0.000 0.526 206 G N 0.618 109.579 108.800 0.268 0.000 2.663 206 G HA2 0.108 4.050 3.960 -0.031 0.000 0.686 206 G HA3 0.108 4.050 3.960 -0.031 0.000 0.686 206 G C -0.788 174.274 174.900 0.271 0.000 1.288 206 G CA -0.732 44.487 45.100 0.199 0.000 0.836 206 G HN 0.499 nan 8.290 nan 0.000 0.584 207 A N 0.984 123.949 122.820 0.240 0.000 2.478 207 A HA 0.793 5.094 4.320 -0.031 0.000 0.327 207 A C 0.528 178.283 177.584 0.284 0.000 1.431 207 A CA 0.895 53.101 52.037 0.281 0.000 1.014 207 A CB -0.515 18.659 19.000 0.289 0.000 1.143 207 A HN 2.026 nan 8.150 nan 0.000 0.532 208 M N 0.134 119.805 119.600 0.118 0.000 2.948 208 M HA 0.620 5.082 4.480 -0.031 0.000 0.278 208 M C -1.610 174.598 176.300 -0.152 0.000 1.293 208 M CA -0.836 54.456 55.300 -0.012 0.000 0.777 208 M CB 1.562 34.024 32.600 -0.230 0.000 1.713 208 M HN 0.216 nan 8.290 nan 0.000 0.444 209 D N 0.647 120.991 120.400 -0.094 0.000 2.485 209 D HA 0.360 4.981 4.640 -0.031 0.000 0.229 209 D C -0.121 176.092 176.300 -0.145 0.000 1.101 209 D CA -0.364 53.603 54.000 -0.054 0.000 0.906 209 D CB 0.076 40.928 40.800 0.086 0.000 1.019 209 D HN 0.560 nan 8.370 nan 0.000 0.516 210 F N 1.229 121.207 119.950 0.048 0.000 2.250 210 F HA -0.174 4.335 4.527 -0.031 0.000 0.301 210 F C 2.673 178.485 175.800 0.019 0.000 1.077 210 F CA 1.076 59.091 58.000 0.025 0.000 1.348 210 F CB -0.207 38.793 39.000 0.000 0.000 1.040 210 F HN 0.359 nan 8.300 nan 0.000 0.509 211 S N -1.308 114.485 115.700 0.155 0.000 2.461 211 S HA -0.100 4.351 4.470 -0.031 0.000 0.228 211 S C 1.793 176.430 174.600 0.061 0.000 1.005 211 S CA 1.106 59.369 58.200 0.105 0.000 0.942 211 S CB -0.854 62.400 63.200 0.089 0.000 0.776 211 S HN 0.433 nan 8.310 nan 0.000 0.514 212 T N -2.127 112.454 114.554 0.045 0.000 2.985 212 T HA 0.389 4.720 4.350 -0.031 0.000 0.254 212 T C 1.103 175.812 174.700 0.016 0.000 1.021 212 T CA -0.201 61.918 62.100 0.031 0.000 0.957 212 T CB 0.032 68.922 68.868 0.037 0.000 1.047 212 T HN 0.220 nan 8.240 nan 0.000 0.511 213 L N 0.447 121.670 121.223 -0.000 0.000 2.638 213 L HA 0.504 4.826 4.340 -0.031 0.000 0.232 213 L C 0.330 177.192 176.870 -0.012 0.000 1.099 213 L CA 0.550 55.379 54.840 -0.020 0.000 0.883 213 L CB 0.176 42.197 42.059 -0.063 0.000 1.136 213 L HN 0.321 nan 8.230 nan 0.000 0.492 214 Q N -0.660 119.149 119.800 0.016 0.000 2.394 214 Q HA 0.170 4.491 4.340 -0.031 0.000 0.261 214 Q C -0.194 175.817 176.000 0.020 0.000 1.023 214 Q CA -0.303 55.514 55.803 0.022 0.000 0.720 214 Q CB 1.557 30.332 28.738 0.062 0.000 1.241 214 Q HN -0.044 nan 8.270 nan 0.000 0.483 215 D N 0.508 120.908 120.400 0.001 0.000 2.219 215 D HA -0.114 4.507 4.640 -0.031 0.000 0.205 215 D C 1.281 177.577 176.300 -0.008 0.000 0.970 215 D CA 1.369 55.368 54.000 -0.002 0.000 0.851 215 D CB 0.437 41.230 40.800 -0.011 0.000 0.943 215 D HN 0.437 nan 8.370 nan 0.000 0.488 216 T N -0.114 114.427 114.554 -0.022 0.000 2.701 216 T HA -0.088 4.243 4.350 -0.031 0.000 0.263 216 T C 0.947 175.633 174.700 -0.024 0.000 1.040 216 T CA 1.141 63.217 62.100 -0.040 0.000 1.147 216 T CB 0.073 68.897 68.868 -0.073 0.000 0.865 216 T HN 0.128 nan 8.240 nan 0.000 0.426 217 K N -1.518 118.875 120.400 -0.012 0.000 3.366 217 K HA -0.115 4.187 4.320 -0.031 0.000 0.285 217 K C -0.398 176.206 176.600 0.007 0.000 1.356 217 K CA 0.346 56.658 56.287 0.042 0.000 0.847 217 K CB -1.919 30.628 32.500 0.078 0.000 1.587 217 K HN 0.416 nan 8.250 nan 0.000 0.504 218 C N 0.115 119.308 119.300 -0.179 0.000 3.680 218 C HA 0.158 4.599 4.460 -0.031 0.000 0.301 218 C C 1.119 175.782 174.990 -0.544 0.000 2.566 218 C CA -0.712 58.000 59.018 -0.510 0.000 1.614 218 C CB 0.160 27.675 27.740 -0.375 0.000 3.388 218 C HN 0.297 nan 8.230 nan 0.000 0.384 219 E N 1.167 121.127 120.200 -0.400 0.000 2.460 219 E HA 0.181 4.512 4.350 -0.031 0.000 0.200 219 E C 0.633 176.891 176.600 -0.570 0.000 1.011 219 E CA 0.757 56.888 56.400 -0.448 0.000 0.912 219 E CB 0.954 30.546 29.700 -0.181 0.000 0.953 219 E HN 0.634 nan 8.360 nan 0.000 0.494 220 V N -2.635 116.999 119.914 -0.466 0.000 3.188 220 V HA 0.553 4.654 4.120 -0.031 0.000 0.305 220 V C -3.007 173.006 176.094 -0.136 0.000 1.232 220 V CA -3.019 58.991 62.300 -0.484 0.000 1.043 220 V CB 1.753 33.074 31.823 -0.838 0.000 1.068 220 V HN -0.293 nan 8.190 nan 0.000 0.439 221 P HA 0.138 nan 4.420 nan 0.000 0.266 221 P C 0.852 178.170 177.300 0.030 0.000 1.193 221 P CA -0.033 63.106 63.100 0.065 0.000 0.770 221 P CB 0.368 32.080 31.700 0.020 0.000 0.836 222 L N 2.862 124.080 121.223 -0.007 0.000 2.085 222 L HA -0.248 4.073 4.340 -0.031 0.000 0.218 222 L C 1.688 178.578 176.870 0.034 0.000 1.080 222 L CA 2.199 57.019 54.840 -0.033 0.000 0.776 222 L CB -1.507 40.493 42.059 -0.098 0.000 0.891 222 L HN 0.507 nan 8.230 nan 0.000 0.437 223 D N -1.411 118.993 120.400 0.007 0.000 2.378 223 D HA -0.146 4.476 4.640 -0.031 0.000 0.227 223 D C 1.575 177.923 176.300 0.080 0.000 1.012 223 D CA 1.190 55.258 54.000 0.114 0.000 0.905 223 D CB -0.364 40.551 40.800 0.192 0.000 0.895 223 D HN 0.640 nan 8.370 nan 0.000 0.532 224 I N -4.133 116.427 120.570 -0.017 0.000 4.670 224 I HA 0.254 4.405 4.170 -0.031 0.000 0.339 224 I C 1.786 177.818 176.117 -0.141 0.000 1.310 224 I CA -0.626 60.604 61.300 -0.116 0.000 1.288 224 I CB -0.021 37.772 38.000 -0.345 0.000 1.427 224 I HN 0.018 nan 8.210 nan 0.000 0.494 225 C N 1.869 121.123 119.300 -0.076 0.000 2.403 225 C HA -0.109 4.333 4.460 -0.031 0.000 0.277 225 C C 2.014 177.056 174.990 0.085 0.000 1.248 225 C CA 1.476 60.489 59.018 -0.008 0.000 1.762 225 C CB -0.784 27.007 27.740 0.085 0.000 2.014 225 C HN 0.635 nan 8.230 nan 0.000 0.486 226 Q N 1.005 120.860 119.800 0.092 0.000 2.206 226 Q HA 0.367 4.688 4.340 -0.031 0.000 0.265 226 Q C 0.025 176.091 176.000 0.111 0.000 0.866 226 Q CA 0.113 55.979 55.803 0.105 0.000 1.073 226 Q CB 0.895 29.682 28.738 0.081 0.000 1.165 226 Q HN 0.726 nan 8.270 nan 0.000 0.465 227 S N -0.545 115.239 115.700 0.140 0.000 2.851 227 S HA 0.657 5.109 4.470 -0.031 0.000 0.317 227 S C -0.178 174.531 174.600 0.181 0.000 1.144 227 S CA -0.640 57.637 58.200 0.128 0.000 0.862 227 S CB 1.630 64.894 63.200 0.108 0.000 1.259 227 S HN 0.160 nan 8.310 nan 0.000 0.564 228 I N 0.988 121.620 120.570 0.104 0.000 2.447 228 I HA 0.327 4.479 4.170 -0.031 0.000 0.287 228 I C -1.111 175.055 176.117 0.082 0.000 1.023 228 I CA -0.411 60.907 61.300 0.031 0.000 1.083 228 I CB 1.393 39.269 38.000 -0.207 0.000 1.245 228 I HN 0.489 nan 8.210 nan 0.000 0.434 229 C N 6.497 125.921 119.300 0.208 0.000 2.265 229 C HA 0.371 4.812 4.460 -0.031 0.000 0.332 229 C C 0.444 175.564 174.990 0.216 0.000 1.248 229 C CA -0.636 58.530 59.018 0.246 0.000 1.727 229 C CB -0.148 27.815 27.740 0.372 0.000 2.348 229 C HN 0.659 nan 8.230 nan 0.000 0.519 230 K N 2.233 122.785 120.400 0.254 0.000 2.156 230 K HA 0.551 4.853 4.320 -0.031 0.000 0.250 230 K C -1.199 175.657 176.600 0.427 0.000 0.955 230 K CA -0.522 55.917 56.287 0.254 0.000 0.855 230 K CB 1.876 34.426 32.500 0.083 0.000 1.101 230 K HN 0.638 nan 8.250 nan 0.000 0.434 231 Y N 1.666 122.085 120.300 0.197 0.000 2.425 231 Y HA 0.331 4.861 4.550 -0.032 0.000 0.344 231 Y C -2.705 173.242 175.900 0.078 0.000 0.969 231 Y CA -2.583 55.648 58.100 0.219 0.000 1.052 231 Y CB 1.752 40.332 38.460 0.200 0.000 1.215 231 Y HN 0.408 nan 8.280 nan 0.000 0.451 232 P HA 0.006 nan 4.420 nan 0.000 0.265 232 P C -0.856 176.041 177.300 -0.672 0.000 1.193 232 P CA 0.292 63.017 63.100 -0.625 0.000 0.765 232 P CB 0.547 31.636 31.700 -1.018 0.000 0.823 233 D N 2.473 122.630 120.400 -0.405 0.000 2.563 233 D HA 0.053 4.674 4.640 -0.031 0.000 0.222 233 D C 0.476 176.669 176.300 -0.180 0.000 1.145 233 D CA -0.155 53.731 54.000 -0.190 0.000 1.001 233 D CB -0.379 40.353 40.800 -0.113 0.000 1.049 233 D HN 0.300 nan 8.370 nan 0.000 0.515 234 Y N 1.171 121.433 120.300 -0.063 0.000 2.224 234 Y HA -0.142 4.390 4.550 -0.029 0.000 0.289 234 Y C 2.273 178.163 175.900 -0.016 0.000 1.146 234 Y CA 0.682 58.753 58.100 -0.048 0.000 1.182 234 Y CB 0.011 38.441 38.460 -0.050 0.000 0.983 234 Y HN 0.308 nan 8.280 nan 0.000 0.524 235 L N -0.207 121.115 121.223 0.164 0.000 2.042 235 L HA -0.273 4.048 4.340 -0.031 0.000 0.210 235 L C 2.603 179.505 176.870 0.053 0.000 1.076 235 L CA 1.876 56.775 54.840 0.098 0.000 0.749 235 L CB -0.564 41.549 42.059 0.090 0.000 0.893 235 L HN 0.270 nan 8.230 nan 0.000 0.432 236 Q N 0.077 119.892 119.800 0.025 0.000 2.123 236 Q HA -0.175 4.147 4.340 -0.031 0.000 0.199 236 Q C 2.088 178.089 176.000 0.003 0.000 0.966 236 Q CA 1.663 57.467 55.803 0.002 0.000 0.845 236 Q CB -0.205 28.517 28.738 -0.026 0.000 0.907 236 Q HN 0.403 nan 8.270 nan 0.000 0.439 237 M N -0.265 119.331 119.600 -0.005 0.000 2.349 237 M HA -0.025 4.437 4.480 -0.031 0.000 0.266 237 M C 1.976 178.296 176.300 0.033 0.000 1.076 237 M CA 1.116 56.414 55.300 -0.002 0.000 1.126 237 M CB 0.147 32.724 32.600 -0.038 0.000 1.392 237 M HN 0.192 nan 8.290 nan 0.000 0.440 238 S N 0.650 116.379 115.700 0.048 0.000 2.383 238 S HA -0.069 4.383 4.470 -0.031 0.000 0.227 238 S C 2.023 176.645 174.600 0.036 0.000 1.026 238 S CA 1.315 59.544 58.200 0.048 0.000 0.981 238 S CB -0.247 62.983 63.200 0.050 0.000 0.818 238 S HN 0.565 nan 8.310 nan 0.000 0.472 239 A N 1.260 124.101 122.820 0.033 0.000 1.930 239 A HA 0.056 4.358 4.320 -0.031 0.000 0.215 239 A C 0.823 178.428 177.584 0.035 0.000 1.176 239 A CA 0.326 52.380 52.037 0.029 0.000 0.632 239 A CB -0.652 18.363 19.000 0.025 0.000 0.819 239 A HN 0.412 nan 8.150 nan 0.000 0.445 240 D N 0.576 121.001 120.400 0.042 0.000 3.139 240 D HA -0.080 4.541 4.640 -0.031 0.000 0.212 240 D C -0.840 175.508 176.300 0.080 0.000 1.084 240 D CA 0.201 54.240 54.000 0.066 0.000 0.777 240 D CB 0.789 41.640 40.800 0.086 0.000 1.156 240 D HN 0.239 nan 8.370 nan 0.000 0.537 241 P HA -0.186 nan 4.420 nan 0.000 0.216 241 P C 0.973 178.279 177.300 0.011 0.000 1.153 241 P CA 1.327 64.410 63.100 -0.029 0.000 0.844 241 P CB -0.010 31.564 31.700 -0.210 0.000 0.787 242 Y N 0.334 120.757 120.300 0.205 0.000 2.337 242 Y HA 0.211 4.742 4.550 -0.031 0.000 0.293 242 Y C 1.786 177.864 175.900 0.296 0.000 1.123 242 Y CA 0.851 59.106 58.100 0.258 0.000 1.201 242 Y CB -0.886 37.685 38.460 0.185 0.000 1.011 242 Y HN 0.019 nan 8.280 nan 0.000 0.545 243 G N 1.216 110.227 108.800 0.353 0.000 2.359 243 G HA2 -0.272 3.670 3.960 -0.031 0.000 0.298 243 G HA3 -0.272 3.670 3.960 -0.031 0.000 0.298 243 G C 0.020 175.084 174.900 0.274 0.000 1.030 243 G CA 0.631 45.888 45.100 0.262 0.000 1.149 243 G HN 0.394 nan 8.290 nan 0.000 0.512 244 D N -0.381 120.158 120.400 0.231 0.000 2.389 244 D HA 0.093 4.715 4.640 -0.031 0.000 0.206 244 D C 2.301 178.577 176.300 -0.040 0.000 1.055 244 D CA 0.837 54.945 54.000 0.179 0.000 0.856 244 D CB 0.223 41.177 40.800 0.256 0.000 0.957 244 D HN 0.412 nan 8.370 nan 0.000 0.509 245 S N 0.616 116.299 115.700 -0.027 0.000 2.345 245 S HA -0.012 4.439 4.470 -0.031 0.000 0.219 245 S C 1.134 175.635 174.600 -0.166 0.000 1.031 245 S CA 0.721 58.856 58.200 -0.108 0.000 0.984 245 S CB -0.026 63.138 63.200 -0.060 0.000 0.874 245 S HN 0.383 nan 8.310 nan 0.000 0.451 246 M N -0.092 119.445 119.600 -0.106 0.000 2.277 246 M HA 0.556 5.017 4.480 -0.031 0.000 0.282 246 M C -1.364 174.964 176.300 0.047 0.000 1.074 246 M CA -0.781 54.457 55.300 -0.102 0.000 0.954 246 M CB 1.477 34.074 32.600 -0.006 0.000 1.672 246 M HN 0.076 nan 8.290 nan 0.000 0.471 247 F N 1.238 121.298 119.950 0.182 0.000 2.764 247 F HA 0.731 5.239 4.527 -0.032 0.000 0.310 247 F C -1.121 174.850 175.800 0.285 0.000 1.124 247 F CA -1.573 56.541 58.000 0.190 0.000 1.252 247 F CB -0.103 39.000 39.000 0.172 0.000 1.010 247 F HN 0.568 nan 8.300 nan 0.000 0.518 248 F N 1.478 121.608 119.950 0.299 0.000 2.655 248 F HA 0.448 4.957 4.527 -0.030 0.000 0.324 248 F C -1.993 173.880 175.800 0.121 0.000 1.081 248 F CA -1.564 56.560 58.000 0.207 0.000 1.088 248 F CB 0.540 39.701 39.000 0.268 0.000 1.327 248 F HN 0.210 nan 8.300 nan 0.000 0.522 249 C N 8.062 127.069 119.300 -0.489 0.000 2.551 249 C HA 0.890 5.332 4.460 -0.031 0.000 0.332 249 C C -2.319 172.411 174.990 -0.434 0.000 1.139 249 C CA -0.549 58.322 59.018 -0.245 0.000 1.328 249 C CB 0.430 28.153 27.740 -0.028 0.000 1.903 249 C HN 0.822 nan 8.230 nan 0.000 0.459 250 L N 6.118 127.163 121.223 -0.297 0.000 2.409 250 L HA 0.812 5.134 4.340 -0.031 0.000 0.272 250 L C -0.231 176.554 176.870 -0.141 0.000 0.980 250 L CA -0.081 54.575 54.840 -0.308 0.000 0.826 250 L CB 1.892 43.722 42.059 -0.382 0.000 1.268 250 L HN 0.913 nan 8.230 nan 0.000 0.407 251 R N 2.419 122.831 120.500 -0.147 0.000 2.604 251 R HA 0.894 5.215 4.340 -0.031 0.000 0.281 251 R C -0.990 175.263 176.300 -0.078 0.000 1.020 251 R CA -1.004 55.051 56.100 -0.074 0.000 0.899 251 R CB 2.076 32.325 30.300 -0.084 0.000 1.205 251 R HN 0.478 nan 8.270 nan 0.000 0.450 252 R N 1.757 122.237 120.500 -0.035 0.000 2.512 252 R HA 0.229 4.551 4.340 -0.031 0.000 0.291 252 R C -1.432 174.884 176.300 0.026 0.000 1.097 252 R CA -0.409 55.676 56.100 -0.025 0.000 0.940 252 R CB 1.575 31.839 30.300 -0.060 0.000 1.198 252 R HN 0.986 nan 8.270 nan 0.000 0.429 253 E N 3.993 124.223 120.200 0.049 0.000 2.369 253 E HA 0.454 4.786 4.350 -0.031 0.000 0.270 253 E C -1.536 175.105 176.600 0.068 0.000 0.909 253 E CA -1.015 55.434 56.400 0.082 0.000 0.775 253 E CB 2.625 32.400 29.700 0.125 0.000 1.270 253 E HN 0.656 nan 8.360 nan 0.000 0.445 254 Q N 0.990 120.838 119.800 0.080 0.000 2.594 254 Q HA 0.569 4.891 4.340 -0.031 0.000 0.278 254 Q C -1.484 174.575 176.000 0.098 0.000 0.961 254 Q CA -1.187 54.664 55.803 0.080 0.000 0.844 254 Q CB 1.733 30.518 28.738 0.079 0.000 1.475 254 Q HN 0.616 nan 8.270 nan 0.000 0.389 255 L N -1.160 120.130 121.223 0.111 0.000 2.947 255 L HA 0.842 5.163 4.340 -0.031 0.000 0.267 255 L C -1.906 175.073 176.870 0.181 0.000 1.004 255 L CA -0.789 54.115 54.840 0.107 0.000 0.937 255 L CB 0.797 42.870 42.059 0.024 0.000 1.496 255 L HN 0.978 nan 8.230 nan 0.000 0.409 256 F N -0.183 119.765 119.950 -0.003 0.000 2.662 256 F HA 0.968 5.491 4.527 -0.008 0.000 0.312 256 F C -0.461 175.328 175.800 -0.017 0.000 1.113 256 F CA -0.635 57.358 58.000 -0.012 0.000 0.951 256 F CB 1.319 40.312 39.000 -0.012 0.000 1.344 256 F HN 0.926 nan 8.300 nan 0.000 0.462 257 A N 2.763 125.643 122.820 0.099 0.000 2.347 257 A HA 0.528 4.830 4.320 -0.031 0.000 0.287 257 A C 0.887 178.475 177.584 0.008 0.000 1.199 257 A CA -0.339 51.698 52.037 -0.000 0.000 0.851 257 A CB 0.550 19.641 19.000 0.151 0.000 1.118 257 A HN 0.962 nan 8.150 nan 0.000 0.525 258 R N 1.714 122.043 120.500 -0.285 0.000 2.055 258 R HA 0.128 4.450 4.340 -0.031 0.000 0.221 258 R C -0.117 175.942 176.300 -0.402 0.000 1.154 258 R CA 1.428 57.377 56.100 -0.252 0.000 0.975 258 R CB -0.115 30.020 30.300 -0.275 0.000 0.869 258 R HN 0.857 nan 8.270 nan 0.000 0.437 259 H N -1.764 117.070 119.070 -0.393 0.000 2.747 259 H HA 0.403 4.942 4.556 -0.028 0.000 0.371 259 H C -1.221 173.838 175.328 -0.448 0.000 1.161 259 H CA -0.620 55.067 56.048 -0.602 0.000 1.167 259 H CB 1.641 30.867 29.762 -0.893 0.000 1.732 259 H HN -0.010 nan 8.280 nan 0.000 0.544 260 F N 1.948 121.616 119.950 -0.470 0.000 2.444 260 F HA 0.311 4.817 4.527 -0.034 0.000 0.342 260 F C -0.685 175.050 175.800 -0.109 0.000 1.121 260 F CA -0.804 57.041 58.000 -0.258 0.000 0.997 260 F CB 1.404 40.340 39.000 -0.107 0.000 1.130 260 F HN 0.207 nan 8.300 nan 0.000 0.454 261 W N 1.442 122.961 121.300 0.365 0.000 3.029 261 W HA 0.318 4.963 4.660 -0.025 0.000 0.339 261 W C -0.763 175.922 176.519 0.275 0.000 1.198 261 W CA -1.251 56.270 57.345 0.293 0.000 1.148 261 W CB 1.504 31.124 29.460 0.267 0.000 1.451 261 W HN 0.426 nan 8.180 nan 0.000 0.564 262 N N 0.686 119.657 118.700 0.452 0.000 2.476 262 N HA 0.487 5.208 4.740 -0.031 0.000 0.276 262 N C -0.576 174.999 175.510 0.108 0.000 1.204 262 N CA -0.631 52.536 53.050 0.196 0.000 0.974 262 N CB 1.034 39.610 38.487 0.148 0.000 1.204 262 N HN -0.065 nan 8.380 nan 0.000 0.543 263 R N 0.869 121.364 120.500 -0.008 0.000 2.494 263 R HA 0.461 4.783 4.340 -0.031 0.000 0.305 263 R C -0.915 175.353 176.300 -0.054 0.000 0.959 263 R CA -0.659 55.424 56.100 -0.028 0.000 0.864 263 R CB 1.448 31.722 30.300 -0.043 0.000 1.159 263 R HN 0.607 nan 8.270 nan 0.000 0.446 264 A N 1.045 123.830 122.820 -0.058 0.000 2.322 264 A HA 0.751 5.052 4.320 -0.031 0.000 0.269 264 A C 0.407 177.954 177.584 -0.061 0.000 1.094 264 A CA 0.582 52.586 52.037 -0.056 0.000 0.807 264 A CB 0.556 19.523 19.000 -0.055 0.000 1.047 264 A HN 0.828 nan 8.150 nan 0.000 0.487 265 G N -0.433 108.334 108.800 -0.054 0.000 2.353 265 G HA2 0.488 4.430 3.960 -0.031 0.000 0.424 265 G HA3 0.488 4.430 3.960 -0.031 0.000 0.424 265 G C -0.378 174.494 174.900 -0.048 0.000 1.320 265 G CA -0.167 44.903 45.100 -0.051 0.000 0.995 265 G HN 1.811 nan 8.290 nan 0.000 0.580 266 T N -0.923 113.606 114.554 -0.042 0.000 2.875 266 T HA 0.628 4.959 4.350 -0.031 0.000 0.284 266 T C 0.732 175.407 174.700 -0.041 0.000 0.995 266 T CA -0.772 61.306 62.100 -0.037 0.000 1.060 266 T CB 1.252 70.103 68.868 -0.029 0.000 0.967 266 T HN 0.576 nan 8.240 nan 0.000 0.476 267 M N 3.108 122.683 119.600 -0.042 0.000 2.246 267 M HA 0.221 4.683 4.480 -0.031 0.000 0.350 267 M C 1.637 177.918 176.300 -0.032 0.000 1.406 267 M CA -0.469 54.805 55.300 -0.044 0.000 1.089 267 M CB 0.133 32.705 32.600 -0.046 0.000 1.782 267 M HN 1.074 nan 8.290 nan 0.000 0.457 268 G N 3.289 112.069 108.800 -0.033 0.000 2.434 268 G HA2 -0.078 3.863 3.960 -0.031 0.000 0.214 268 G HA3 -0.078 3.863 3.960 -0.031 0.000 0.214 268 G C 0.196 175.084 174.900 -0.019 0.000 1.202 268 G CA 0.264 45.348 45.100 -0.026 0.000 0.788 268 G HN 0.618 nan 8.290 nan 0.000 0.539 269 D N 1.058 121.446 120.400 -0.020 0.000 2.249 269 D HA 0.375 4.996 4.640 -0.031 0.000 0.246 269 D C -0.219 176.078 176.300 -0.005 0.000 1.114 269 D CA 0.151 54.144 54.000 -0.012 0.000 0.854 269 D CB 1.465 42.257 40.800 -0.014 0.000 1.132 269 D HN -0.041 nan 8.370 nan 0.000 0.461 270 T N 0.948 115.506 114.554 0.007 0.000 2.856 270 T HA 0.219 4.551 4.350 -0.031 0.000 0.292 270 T C 0.654 175.378 174.700 0.041 0.000 0.980 270 T CA -0.685 61.428 62.100 0.021 0.000 1.091 270 T CB 1.243 70.128 68.868 0.028 0.000 0.936 270 T HN 0.012 nan 8.240 nan 0.000 0.503 271 V N 5.929 125.878 119.914 0.057 0.000 2.485 271 V HA 0.124 4.226 4.120 -0.031 0.000 0.287 271 V C -1.769 174.432 176.094 0.179 0.000 1.022 271 V CA -1.477 60.883 62.300 0.099 0.000 1.067 271 V CB -0.335 31.525 31.823 0.062 0.000 0.967 271 V HN 0.756 nan 8.190 nan 0.000 0.479 272 P HA -0.024 nan 4.420 nan 0.000 0.264 272 P C 0.715 178.086 177.300 0.118 0.000 1.179 272 P CA 0.246 63.409 63.100 0.104 0.000 0.763 272 P CB 0.407 32.150 31.700 0.072 0.000 0.806 273 Q N 1.046 120.833 119.800 -0.023 0.000 2.389 273 Q HA -0.056 4.265 4.340 -0.031 0.000 0.204 273 Q C 1.478 177.283 176.000 -0.325 0.000 0.944 273 Q CA 1.117 56.761 55.803 -0.265 0.000 0.908 273 Q CB -0.040 28.577 28.738 -0.203 0.000 1.002 273 Q HN 0.579 nan 8.270 nan 0.000 0.493 274 S N -0.862 114.763 115.700 -0.126 0.000 2.603 274 S HA 0.088 4.540 4.470 -0.031 0.000 0.220 274 S C 1.477 176.052 174.600 -0.043 0.000 0.967 274 S CA 0.110 58.257 58.200 -0.087 0.000 0.920 274 S CB -0.025 63.151 63.200 -0.040 0.000 0.773 274 S HN 0.269 nan 8.310 nan 0.000 0.529 275 L N 0.283 121.513 121.223 0.012 0.000 2.693 275 L HA 0.432 4.753 4.340 -0.031 0.000 0.235 275 L C 0.073 177.089 176.870 0.244 0.000 1.127 275 L CA -0.412 54.504 54.840 0.126 0.000 0.914 275 L CB 0.065 42.236 42.059 0.187 0.000 1.193 275 L HN 0.599 nan 8.230 nan 0.000 0.502 276 Y N -2.929 117.379 120.300 0.014 0.000 2.764 276 Y HA 0.633 5.165 4.550 -0.031 0.000 0.331 276 Y C -1.171 174.737 175.900 0.013 0.000 1.280 276 Y CA -1.546 56.564 58.100 0.016 0.000 1.065 276 Y CB 1.106 39.579 38.460 0.021 0.000 1.319 276 Y HN -0.295 nan 8.280 nan 0.000 0.453 277 I N 2.654 123.320 120.570 0.160 0.000 2.418 277 I HA 0.331 4.483 4.170 -0.031 0.000 0.287 277 I C -0.653 175.570 176.117 0.178 0.000 1.008 277 I CA -1.055 60.274 61.300 0.049 0.000 1.104 277 I CB 1.966 39.999 38.000 0.056 0.000 1.264 277 I HN 0.598 nan 8.210 nan 0.000 0.438 278 K N 3.514 123.968 120.400 0.090 0.000 2.380 278 K HA 0.292 4.594 4.320 -0.031 0.000 0.267 278 K C 0.495 177.165 176.600 0.116 0.000 0.990 278 K CA -0.039 56.346 56.287 0.163 0.000 0.946 278 K CB 0.959 33.511 32.500 0.086 0.000 0.937 278 K HN 0.818 nan 8.250 nan 0.000 0.491 279 G N 0.342 109.208 108.800 0.110 0.000 2.990 279 G HA2 0.463 4.405 3.960 -0.031 0.000 0.208 279 G HA3 0.463 4.405 3.960 -0.031 0.000 0.208 279 G C -0.709 174.223 174.900 0.054 0.000 1.334 279 G CA -0.437 44.705 45.100 0.071 0.000 1.024 279 G HN 0.603 nan 8.290 nan 0.000 0.574 280 T N -3.559 111.019 114.554 0.041 0.000 2.930 280 T HA 0.703 5.035 4.350 -0.031 0.000 0.290 280 T C 0.747 175.465 174.700 0.029 0.000 1.052 280 T CA 0.527 62.647 62.100 0.033 0.000 1.017 280 T CB 1.333 70.217 68.868 0.026 0.000 1.137 280 T HN 2.349 nan 8.240 nan 0.000 0.511 281 G N 1.971 110.786 108.800 0.024 0.000 2.552 281 G HA2 -0.302 3.639 3.960 -0.031 0.000 0.265 281 G HA3 -0.302 3.639 3.960 -0.031 0.000 0.265 281 G C 0.869 175.782 174.900 0.021 0.000 1.234 281 G CA 0.706 45.818 45.100 0.021 0.000 0.944 281 G HN 1.554 nan 8.290 nan 0.000 0.568 282 M N -0.763 118.848 119.600 0.018 0.000 2.446 282 M HA 0.235 4.697 4.480 -0.031 0.000 0.263 282 M C 2.011 178.320 176.300 0.015 0.000 1.066 282 M CA 2.178 57.487 55.300 0.015 0.000 1.087 282 M CB -0.119 32.489 32.600 0.013 0.000 1.406 282 M HN 0.335 nan 8.290 nan 0.000 0.459 283 R N 0.603 121.116 120.500 0.022 0.000 2.335 283 R HA 0.281 4.603 4.340 -0.031 0.000 0.223 283 R C 1.689 178.016 176.300 0.044 0.000 0.940 283 R CA 0.378 56.494 56.100 0.026 0.000 1.086 283 R CB -0.006 30.313 30.300 0.031 0.000 1.073 283 R HN 0.578 nan 8.270 nan 0.000 0.504 284 A N -0.254 122.593 122.820 0.045 0.000 2.030 284 A HA 0.050 4.352 4.320 -0.031 0.000 0.215 284 A C 0.879 178.519 177.584 0.093 0.000 1.164 284 A CA 0.500 52.578 52.037 0.069 0.000 0.697 284 A CB 0.391 19.422 19.000 0.050 0.000 0.827 284 A HN 0.175 nan 8.150 nan 0.000 0.457 285 S N 0.649 116.380 115.700 0.052 0.000 2.521 285 S HA 0.575 5.027 4.470 -0.031 0.000 0.295 285 S C -3.024 171.554 174.600 -0.038 0.000 1.098 285 S CA -1.608 56.618 58.200 0.044 0.000 0.999 285 S CB 1.481 64.702 63.200 0.035 0.000 1.034 285 S HN 0.182 nan 8.310 nan 0.000 0.483 286 P HA 0.226 nan 4.420 nan 0.000 0.267 286 P C 0.459 177.694 177.300 -0.109 0.000 1.200 286 P CA -0.024 62.948 63.100 -0.214 0.000 0.772 286 P CB 0.267 31.732 31.700 -0.393 0.000 0.855 287 G N 1.074 109.820 108.800 -0.089 0.000 2.641 287 G HA2 0.257 4.198 3.960 -0.031 0.000 0.239 287 G HA3 0.257 4.198 3.960 -0.031 0.000 0.239 287 G C -0.374 174.477 174.900 -0.081 0.000 1.402 287 G CA -0.498 44.568 45.100 -0.057 0.000 1.046 287 G HN 0.597 nan 8.290 nan 0.000 0.565 288 S N -1.899 113.750 115.700 -0.085 0.000 2.537 288 S HA 0.127 4.579 4.470 -0.031 0.000 0.286 288 S C 0.442 174.866 174.600 -0.294 0.000 1.299 288 S CA -0.462 57.647 58.200 -0.153 0.000 1.067 288 S CB 0.024 63.144 63.200 -0.133 0.000 0.864 288 S HN 0.490 nan 8.310 nan 0.000 0.494 289 C N 5.192 124.285 119.300 -0.346 0.000 2.976 289 C HA 0.341 4.783 4.460 -0.031 0.000 0.274 289 C C -0.112 174.532 174.990 -0.575 0.000 1.487 289 C CA -0.495 58.233 59.018 -0.484 0.000 1.789 289 C CB -0.755 26.888 27.740 -0.161 0.000 2.771 289 C HN 0.694 nan 8.230 nan 0.000 0.551 290 V N 2.318 121.915 119.914 -0.528 0.000 2.270 290 V HA 0.299 4.401 4.120 -0.031 0.000 0.263 290 V C -0.500 175.399 176.094 -0.325 0.000 1.066 290 V CA -0.240 61.873 62.300 -0.312 0.000 0.857 290 V CB -0.626 31.104 31.823 -0.156 0.000 1.099 290 V HN 0.420 nan 8.190 nan 0.000 0.476 291 Y N 2.137 122.457 120.300 0.033 0.000 2.354 291 Y HA 0.663 5.195 4.550 -0.030 0.000 0.322 291 Y C 0.812 176.750 175.900 0.064 0.000 1.253 291 Y CA -0.406 57.729 58.100 0.058 0.000 1.272 291 Y CB 1.831 40.293 38.460 0.003 0.000 1.255 291 Y HN 0.618 nan 8.280 nan 0.000 0.500 292 S N 1.516 117.383 115.700 0.278 0.000 2.584 292 S HA 0.474 4.926 4.470 -0.031 0.000 0.280 292 S C -3.425 171.298 174.600 0.204 0.000 1.162 292 S CA -1.403 56.918 58.200 0.202 0.000 0.951 292 S CB 2.116 65.466 63.200 0.249 0.000 1.108 292 S HN 0.366 nan 8.310 nan 0.000 0.464 293 P HA 0.412 nan 4.420 nan 0.000 0.290 293 P C -0.215 177.017 177.300 -0.114 0.000 1.275 293 P CA -0.458 62.617 63.100 -0.042 0.000 0.841 293 P CB 1.365 33.002 31.700 -0.105 0.000 1.042 294 S N 3.055 118.620 115.700 -0.225 0.000 2.510 294 S HA 0.289 4.740 4.470 -0.031 0.000 0.279 294 S C -1.876 172.576 174.600 -0.248 0.000 1.284 294 S CA -0.942 57.158 58.200 -0.167 0.000 1.059 294 S CB -0.431 62.632 63.200 -0.229 0.000 0.901 294 S HN 0.372 nan 8.310 nan 0.000 0.491 295 P HA 0.359 nan 4.420 nan 0.000 0.275 295 P C -0.535 176.594 177.300 -0.285 0.000 1.266 295 P CA -0.535 62.398 63.100 -0.278 0.000 0.793 295 P CB 1.016 32.583 31.700 -0.222 0.000 1.074 296 S N -0.945 114.529 115.700 -0.378 0.000 2.586 296 S HA 0.499 4.951 4.470 -0.031 0.000 0.296 296 S C -0.567 173.880 174.600 -0.256 0.000 1.120 296 S CA -0.619 57.361 58.200 -0.367 0.000 0.927 296 S CB -0.030 62.747 63.200 -0.704 0.000 1.114 296 S HN 0.655 nan 8.310 nan 0.000 0.453 297 G N 2.346 111.146 108.800 -0.000 0.000 2.476 297 G HA2 0.518 4.460 3.960 -0.031 0.000 0.269 297 G HA3 0.518 4.460 3.960 -0.031 0.000 0.269 297 G C 0.530 175.550 174.900 0.201 0.000 1.195 297 G CA 0.038 45.211 45.100 0.122 0.000 0.843 297 G HN 0.808 nan 8.290 nan 0.000 0.545 298 S N 0.348 116.211 115.700 0.271 0.000 2.792 298 S HA 0.302 4.754 4.470 -0.031 0.000 0.177 298 S C 1.036 175.729 174.600 0.154 0.000 1.171 298 S CA -0.603 57.768 58.200 0.285 0.000 1.839 298 S CB -0.318 62.991 63.200 0.182 0.000 0.559 298 S HN 0.400 nan 8.310 nan 0.000 0.458 299 I N 1.751 122.380 120.570 0.098 0.000 2.692 299 I HA 0.185 4.337 4.170 -0.031 0.000 0.284 299 I C -0.110 176.046 176.117 0.065 0.000 1.159 299 I CA -0.096 61.244 61.300 0.067 0.000 1.423 299 I CB 1.090 39.113 38.000 0.038 0.000 1.380 299 I HN 0.179 nan 8.210 nan 0.000 0.580 300 V N 6.260 126.210 119.914 0.059 0.000 2.370 300 V HA 0.554 4.656 4.120 -0.031 0.000 0.283 300 V C -0.163 175.954 176.094 0.039 0.000 1.023 300 V CA 0.120 62.453 62.300 0.054 0.000 0.857 300 V CB 1.602 33.461 31.823 0.061 0.000 0.985 300 V HN 0.879 nan 8.190 nan 0.000 0.443 301 T N 2.814 117.386 114.554 0.031 0.000 2.906 301 T HA 0.387 4.718 4.350 -0.031 0.000 0.295 301 T C 0.948 175.659 174.700 0.017 0.000 1.061 301 T CA 0.095 62.208 62.100 0.021 0.000 1.000 301 T CB 1.884 70.761 68.868 0.015 0.000 1.103 301 T HN 1.186 nan 8.240 nan 0.000 0.486 302 S N 1.618 117.326 115.700 0.013 0.000 2.607 302 S HA 0.029 4.481 4.470 -0.031 0.000 0.224 302 S C 0.931 175.534 174.600 0.004 0.000 0.969 302 S CA 0.367 58.574 58.200 0.011 0.000 0.927 302 S CB -0.288 62.918 63.200 0.010 0.000 0.772 302 S HN 0.717 nan 8.310 nan 0.000 0.533 303 D N 2.462 122.864 120.400 0.003 0.000 2.149 303 D HA -0.028 4.593 4.640 -0.031 0.000 0.201 303 D C 1.420 177.718 176.300 -0.004 0.000 0.972 303 D CA 1.491 55.491 54.000 -0.001 0.000 0.835 303 D CB -0.120 40.679 40.800 -0.001 0.000 0.966 303 D HN 0.680 nan 8.370 nan 0.000 0.476 304 S N -0.056 115.641 115.700 -0.005 0.000 2.562 304 S HA 0.195 4.646 4.470 -0.031 0.000 0.246 304 S C 0.371 174.952 174.600 -0.031 0.000 1.056 304 S CA -0.642 57.549 58.200 -0.015 0.000 1.042 304 S CB 0.593 63.788 63.200 -0.008 0.000 0.822 304 S HN -0.113 nan 8.310 nan 0.000 0.465 305 Q N 1.143 120.929 119.800 -0.024 0.000 2.304 305 Q HA 0.472 4.793 4.340 -0.031 0.000 0.260 305 Q C 0.468 176.419 176.000 -0.082 0.000 0.965 305 Q CA -0.312 55.468 55.803 -0.038 0.000 0.898 305 Q CB 1.196 29.938 28.738 0.008 0.000 1.196 305 Q HN 0.408 nan 8.270 nan 0.000 0.402 306 L N 3.805 124.888 121.223 -0.233 0.000 2.357 306 L HA 0.357 4.678 4.340 -0.031 0.000 0.211 306 L C -0.226 176.517 176.870 -0.211 0.000 1.075 306 L CA 0.816 55.459 54.840 -0.328 0.000 0.830 306 L CB 0.155 41.840 42.059 -0.623 0.000 0.996 306 L HN 0.670 nan 8.230 nan 0.000 0.467 307 F N -0.591 119.460 119.950 0.167 0.000 2.355 307 F HA 0.251 4.762 4.527 -0.027 0.000 0.340 307 F C 1.482 177.288 175.800 0.010 0.000 1.067 307 F CA -0.414 57.683 58.000 0.162 0.000 1.116 307 F CB -0.079 38.974 39.000 0.089 0.000 1.582 307 F HN -0.111 nan 8.300 nan 0.000 0.512 308 N N -0.795 118.013 118.700 0.181 0.000 2.778 308 N HA -0.224 4.498 4.740 -0.031 0.000 0.249 308 N C -1.230 174.201 175.510 -0.131 0.000 1.069 308 N CA 0.670 53.713 53.050 -0.012 0.000 0.831 308 N CB -0.769 37.723 38.487 0.008 0.000 1.142 308 N HN 0.387 nan 8.380 nan 0.000 0.573 309 K N 0.194 120.429 120.400 -0.276 0.000 2.318 309 K HA 0.497 4.798 4.320 -0.031 0.000 0.249 309 K C -2.745 173.284 176.600 -0.952 0.000 0.942 309 K CA -1.726 54.263 56.287 -0.498 0.000 0.808 309 K CB 2.188 34.409 32.500 -0.464 0.000 1.189 309 K HN -0.155 nan 8.250 nan 0.000 0.428 310 P HA 0.161 nan 4.420 nan 0.000 0.285 310 P C -1.523 175.032 177.300 -1.241 0.000 1.259 310 P CA -0.319 62.169 63.100 -1.020 0.000 0.794 310 P CB 0.379 31.557 31.700 -0.871 0.000 0.940 311 Y N 0.734 120.643 120.300 -0.652 0.000 2.376 311 Y HA 0.479 5.009 4.550 -0.033 0.000 0.340 311 Y C -0.343 175.200 175.900 -0.595 0.000 0.965 311 Y CA -0.802 57.015 58.100 -0.471 0.000 1.078 311 Y CB 1.106 39.621 38.460 0.091 0.000 1.193 311 Y HN 0.343 nan 8.280 nan 0.000 0.452 312 W N 4.706 126.121 121.300 0.192 0.000 2.391 312 W HA 0.700 5.342 4.660 -0.030 0.000 0.311 312 W C -0.850 175.803 176.519 0.224 0.000 1.087 312 W CA -1.108 56.311 57.345 0.124 0.000 1.209 312 W CB 1.178 30.704 29.460 0.110 0.000 1.273 312 W HN 0.403 nan 8.180 nan 0.000 0.482 313 L N 2.462 123.902 121.223 0.361 0.000 2.265 313 L HA 0.495 4.816 4.340 -0.031 0.000 0.289 313 L C 0.994 178.060 176.870 0.327 0.000 1.033 313 L CA -0.709 54.350 54.840 0.367 0.000 0.814 313 L CB 0.797 42.960 42.059 0.172 0.000 1.203 313 L HN 0.616 nan 8.230 nan 0.000 0.423 314 H N 1.995 121.175 119.070 0.182 0.000 2.476 314 H HA 0.362 4.899 4.556 -0.031 0.000 0.292 314 H C -0.411 174.978 175.328 0.102 0.000 1.019 314 H CA -0.228 55.902 56.048 0.137 0.000 1.330 314 H CB 0.320 30.161 29.762 0.132 0.000 1.451 314 H HN 0.563 nan 8.280 nan 0.000 0.535 315 K N 0.763 120.854 120.400 -0.515 0.000 2.615 315 K HA 0.596 4.897 4.320 -0.031 0.000 0.249 315 K C -0.862 175.609 176.600 -0.215 0.000 0.977 315 K CA -0.218 55.900 56.287 -0.283 0.000 0.833 315 K CB 3.100 35.462 32.500 -0.229 0.000 1.208 315 K HN 0.355 nan 8.250 nan 0.000 0.443 316 A N 1.673 124.458 122.820 -0.059 0.000 2.366 316 A HA 0.050 4.352 4.320 -0.031 0.000 0.250 316 A C 1.194 178.808 177.584 0.050 0.000 1.099 316 A CA 0.232 52.300 52.037 0.052 0.000 0.794 316 A CB 0.301 19.372 19.000 0.118 0.000 1.056 316 A HN 0.869 nan 8.150 nan 0.000 0.499 317 Q N 0.413 120.270 119.800 0.096 0.000 2.062 317 Q HA 0.228 4.549 4.340 -0.031 0.000 0.196 317 Q C 1.099 177.110 176.000 0.019 0.000 0.967 317 Q CA 1.298 57.132 55.803 0.051 0.000 0.832 317 Q CB -1.010 27.767 28.738 0.065 0.000 0.899 317 Q HN 0.806 nan 8.270 nan 0.000 0.442 318 G N -0.666 108.176 108.800 0.070 0.000 2.516 318 G HA2 0.122 4.064 3.960 -0.031 0.000 0.276 318 G HA3 0.122 4.064 3.960 -0.031 0.000 0.276 318 G C -0.283 174.629 174.900 0.019 0.000 1.390 318 G CA -0.040 45.073 45.100 0.022 0.000 1.050 318 G HN 0.495 nan 8.290 nan 0.000 0.519 319 H N -1.078 118.111 119.070 0.199 0.000 2.512 319 H HA 0.054 4.592 4.556 -0.030 0.000 0.279 319 H C 0.815 176.301 175.328 0.264 0.000 0.999 319 H CA 0.303 56.482 56.048 0.218 0.000 1.283 319 H CB 0.376 30.287 29.762 0.249 0.000 1.421 319 H HN 0.269 nan 8.280 nan 0.000 0.554 320 N N 1.273 120.228 118.700 0.424 0.000 2.414 320 N HA -0.065 4.656 4.740 -0.031 0.000 0.256 320 N C -0.767 174.908 175.510 0.274 0.000 1.029 320 N CA -0.050 53.243 53.050 0.405 0.000 0.948 320 N CB 0.453 39.258 38.487 0.530 0.000 1.102 320 N HN 0.182 nan 8.380 nan 0.000 0.496 321 N N 3.038 121.798 118.700 0.099 0.000 3.250 321 N HA 0.104 4.826 4.740 -0.031 0.000 0.307 321 N C 0.424 175.771 175.510 -0.270 0.000 1.355 321 N CA 0.388 53.416 53.050 -0.038 0.000 1.192 321 N CB -0.627 37.842 38.487 -0.030 0.000 1.478 321 N HN 0.866 nan 8.380 nan 0.000 0.543 322 G N 0.349 108.768 108.800 -0.636 0.000 2.198 322 G HA2 -0.251 3.690 3.960 -0.031 0.000 0.260 322 G HA3 -0.251 3.690 3.960 -0.031 0.000 0.260 322 G C 0.041 174.637 174.900 -0.506 0.000 1.025 322 G CA 0.184 44.455 45.100 -1.382 0.000 0.769 322 G HN 0.329 nan 8.290 nan 0.000 0.507 323 V N 0.453 120.203 119.914 -0.272 0.000 2.455 323 V HA 0.260 4.361 4.120 -0.031 0.000 0.273 323 V C 1.121 177.038 176.094 -0.294 0.000 1.045 323 V CA -0.293 61.775 62.300 -0.388 0.000 0.976 323 V CB 1.296 32.664 31.823 -0.758 0.000 0.993 323 V HN 0.425 nan 8.190 nan 0.000 0.475 324 C N 6.079 125.292 119.300 -0.145 0.000 2.145 324 C HA 0.273 4.715 4.460 -0.031 0.000 0.374 324 C C 0.360 175.408 174.990 0.096 0.000 1.035 324 C CA -1.298 57.751 59.018 0.051 0.000 1.431 324 C CB -1.734 26.057 27.740 0.085 0.000 1.789 324 C HN 0.850 nan 8.230 nan 0.000 0.483 325 W N 2.178 123.635 121.300 0.261 0.000 2.181 325 W HA 0.260 4.902 4.660 -0.031 0.000 0.335 325 W C 1.207 177.918 176.519 0.320 0.000 1.310 325 W CA 0.201 57.697 57.345 0.251 0.000 1.226 325 W CB 0.001 29.624 29.460 0.271 0.000 1.155 325 W HN 0.802 nan 8.180 nan 0.000 0.565 326 H N 0.475 119.731 119.070 0.310 0.000 3.237 326 H HA -0.261 4.277 4.556 -0.031 0.000 0.231 326 H C 0.477 175.874 175.328 0.116 0.000 1.148 326 H CA 1.104 57.246 56.048 0.158 0.000 1.155 326 H CB -1.891 27.952 29.762 0.135 0.000 1.210 326 H HN 0.566 nan 8.280 nan 0.000 0.317 327 N N -0.478 118.355 118.700 0.221 0.000 2.721 327 N HA -0.228 4.493 4.740 -0.031 0.000 0.249 327 N C -0.069 175.448 175.510 0.012 0.000 1.072 327 N CA 1.455 54.566 53.050 0.102 0.000 0.710 327 N CB -0.781 37.742 38.487 0.060 0.000 0.993 327 N HN 0.740 nan 8.380 nan 0.000 0.547 328 Q N -0.281 119.550 119.800 0.051 0.000 2.416 328 Q HA 0.822 5.143 4.340 -0.031 0.000 0.279 328 Q C -0.769 175.181 176.000 -0.083 0.000 1.101 328 Q CA -0.843 54.922 55.803 -0.063 0.000 0.830 328 Q CB 2.400 31.149 28.738 0.019 0.000 1.402 328 Q HN 0.354 nan 8.270 nan 0.000 0.445 329 L N 1.337 122.402 121.223 -0.263 0.000 2.705 329 L HA 0.437 4.758 4.340 -0.031 0.000 0.260 329 L C -1.916 174.753 176.870 -0.336 0.000 0.921 329 L CA -0.462 54.304 54.840 -0.122 0.000 0.948 329 L CB 1.074 43.111 42.059 -0.035 0.000 1.427 329 L HN 0.540 nan 8.230 nan 0.000 0.432 330 F N 4.374 124.266 119.950 -0.097 0.000 2.404 330 F HA 0.617 5.125 4.527 -0.031 0.000 0.339 330 F C 0.118 175.908 175.800 -0.017 0.000 1.105 330 F CA -0.614 57.304 58.000 -0.136 0.000 1.087 330 F CB 1.953 40.785 39.000 -0.281 0.000 1.143 330 F HN 0.051 nan 8.300 nan 0.000 0.491 331 V N 2.784 122.822 119.914 0.208 0.000 2.376 331 V HA 0.369 4.470 4.120 -0.031 0.000 0.287 331 V C -0.410 175.844 176.094 0.267 0.000 1.015 331 V CA -0.588 61.863 62.300 0.252 0.000 0.834 331 V CB 1.589 33.577 31.823 0.275 0.000 1.001 331 V HN 0.806 nan 8.190 nan 0.000 0.428 332 T N 4.651 119.336 114.554 0.218 0.000 2.794 332 T HA 0.721 5.053 4.350 -0.031 0.000 0.280 332 T C -0.419 174.430 174.700 0.248 0.000 0.987 332 T CA -0.426 61.796 62.100 0.203 0.000 0.993 332 T CB 1.814 70.774 68.868 0.153 0.000 0.939 332 T HN 0.322 nan 8.240 nan 0.000 0.449 333 V N 3.282 123.340 119.914 0.240 0.000 2.841 333 V HA 0.641 4.743 4.120 -0.031 0.000 0.310 333 V C -0.893 175.337 176.094 0.226 0.000 1.090 333 V CA -0.714 61.736 62.300 0.251 0.000 0.930 333 V CB 2.460 34.411 31.823 0.213 0.000 1.014 333 V HN 0.712 nan 8.190 nan 0.000 0.425 334 V N 2.988 123.055 119.914 0.256 0.000 2.623 334 V HA 0.594 4.695 4.120 -0.031 0.000 0.304 334 V C -1.395 174.869 176.094 0.284 0.000 1.054 334 V CA -0.421 61.971 62.300 0.154 0.000 0.882 334 V CB 2.025 33.830 31.823 -0.031 0.000 1.002 334 V HN 0.995 nan 8.190 nan 0.000 0.424 335 D N 2.536 123.077 120.400 0.234 0.000 2.375 335 D HA 0.295 4.917 4.640 -0.031 0.000 0.241 335 D C 0.676 177.042 176.300 0.109 0.000 1.361 335 D CA 0.142 54.315 54.000 0.287 0.000 0.995 335 D CB 1.880 42.900 40.800 0.366 0.000 1.312 335 D HN 0.587 nan 8.370 nan 0.000 0.576 336 T N -0.528 114.055 114.554 0.048 0.000 3.122 336 T HA 0.013 4.344 4.350 -0.031 0.000 0.250 336 T C 1.546 176.225 174.700 -0.035 0.000 1.067 336 T CA 0.691 62.714 62.100 -0.128 0.000 0.966 336 T CB -0.143 68.659 68.868 -0.110 0.000 1.002 336 T HN 0.315 nan 8.240 nan 0.000 0.542 337 T N -0.104 114.482 114.554 0.053 0.000 3.085 337 T HA 0.150 4.481 4.350 -0.031 0.000 0.263 337 T C 0.960 175.690 174.700 0.050 0.000 1.127 337 T CA -0.069 62.070 62.100 0.064 0.000 1.103 337 T CB -0.314 68.604 68.868 0.083 0.000 0.921 337 T HN 0.413 nan 8.240 nan 0.000 0.510 338 R N 1.703 122.228 120.500 0.042 0.000 2.477 338 R HA 0.398 4.719 4.340 -0.031 0.000 0.285 338 R C 0.016 176.373 176.300 0.094 0.000 1.415 338 R CA -0.085 56.048 56.100 0.055 0.000 1.446 338 R CB 1.006 31.330 30.300 0.041 0.000 1.110 338 R HN 0.399 nan 8.270 nan 0.000 0.590 339 S N -1.291 114.431 115.700 0.038 0.000 2.843 339 S HA 0.030 4.482 4.470 -0.031 0.000 0.249 339 S C 0.400 174.980 174.600 -0.034 0.000 1.047 339 S CA -0.694 57.464 58.200 -0.071 0.000 1.042 339 S CB 0.376 63.446 63.200 -0.216 0.000 0.936 339 S HN 0.339 nan 8.310 nan 0.000 0.531 340 T N 1.523 116.125 114.554 0.079 0.000 2.834 340 T HA 0.313 4.644 4.350 -0.031 0.000 0.298 340 T C -0.252 174.520 174.700 0.120 0.000 0.966 340 T CA -0.434 61.710 62.100 0.073 0.000 1.141 340 T CB 0.040 68.950 68.868 0.070 0.000 0.905 340 T HN 0.417 nan 8.240 nan 0.000 0.535 341 N N 2.556 121.293 118.700 0.063 0.000 2.422 341 N HA 0.342 5.064 4.740 -0.031 0.000 0.266 341 N C -0.329 175.209 175.510 0.047 0.000 1.007 341 N CA -0.696 52.392 53.050 0.064 0.000 0.941 341 N CB 0.940 39.422 38.487 -0.009 0.000 1.115 341 N HN 0.494 nan 8.380 nan 0.000 0.492 342 L N 1.867 123.122 121.223 0.054 0.000 2.426 342 L HA 0.210 4.532 4.340 -0.031 0.000 0.271 342 L C 0.513 177.397 176.870 0.024 0.000 1.169 342 L CA 0.074 54.935 54.840 0.035 0.000 0.836 342 L CB 0.546 42.623 42.059 0.030 0.000 1.112 342 L HN 0.434 nan 8.230 nan 0.000 0.465 343 T N 4.492 119.064 114.554 0.030 0.000 2.771 343 T HA 0.598 4.929 4.350 -0.031 0.000 0.281 343 T C -0.165 174.571 174.700 0.060 0.000 0.982 343 T CA -0.218 61.907 62.100 0.041 0.000 0.978 343 T CB 0.869 69.758 68.868 0.035 0.000 0.930 343 T HN 0.291 nan 8.240 nan 0.000 0.447 344 I N 3.607 124.238 120.570 0.101 0.000 2.466 344 I HA 0.496 4.648 4.170 -0.031 0.000 0.289 344 I C -0.214 176.028 176.117 0.209 0.000 1.026 344 I CA -0.828 60.539 61.300 0.112 0.000 1.078 344 I CB 1.479 39.520 38.000 0.067 0.000 1.249 344 I HN 0.756 nan 8.210 nan 0.000 0.429 345 C N 4.202 123.616 119.300 0.190 0.000 2.535 345 C HA 0.963 5.404 4.460 -0.031 0.000 0.319 345 C C -0.023 175.129 174.990 0.270 0.000 1.171 345 C CA -0.493 58.691 59.018 0.276 0.000 1.394 345 C CB 0.500 28.387 27.740 0.243 0.000 1.990 345 C HN 0.846 nan 8.230 nan 0.000 0.466 346 A N 3.082 126.075 122.820 0.289 0.000 2.330 346 A HA 0.961 5.262 4.320 -0.031 0.000 0.329 346 A C 0.223 177.886 177.584 0.132 0.000 1.135 346 A CA -0.093 52.056 52.037 0.187 0.000 0.817 346 A CB 1.093 20.151 19.000 0.098 0.000 1.269 346 A HN 1.821 nan 8.150 nan 0.000 0.469 347 S N -0.276 115.387 115.700 -0.061 0.000 2.687 347 S HA 0.456 4.908 4.470 -0.031 0.000 0.283 347 S C 0.666 175.124 174.600 -0.237 0.000 1.170 347 S CA 0.197 58.145 58.200 -0.419 0.000 1.008 347 S CB 1.177 63.923 63.200 -0.756 0.000 1.026 347 S HN 0.593 nan 8.310 nan 0.000 0.541 348 T N 0.930 115.315 114.554 -0.282 0.000 2.851 348 T HA 0.044 4.376 4.350 -0.031 0.000 0.262 348 T C 0.529 175.144 174.700 -0.142 0.000 1.043 348 T CA 0.906 62.912 62.100 -0.156 0.000 1.140 348 T CB -0.192 68.593 68.868 -0.138 0.000 0.872 348 T HN 0.556 nan 8.240 nan 0.000 0.446 349 Q N 1.259 120.946 119.800 -0.188 0.000 2.340 349 Q HA 0.281 4.603 4.340 -0.031 0.000 0.249 349 Q C 1.381 177.318 176.000 -0.106 0.000 0.957 349 Q CA -0.038 55.688 55.803 -0.128 0.000 0.882 349 Q CB 1.211 29.873 28.738 -0.128 0.000 1.235 349 Q HN 0.191 nan 8.270 nan 0.000 0.439 350 S N 2.505 118.166 115.700 -0.065 0.000 2.338 350 S HA -0.075 4.376 4.470 -0.031 0.000 0.218 350 S C -0.787 173.791 174.600 -0.037 0.000 1.032 350 S CA 1.131 59.303 58.200 -0.046 0.000 0.999 350 S CB -0.776 62.406 63.200 -0.029 0.000 0.905 350 S HN 0.524 nan 8.310 nan 0.000 0.439 351 P HA 0.194 nan 4.420 nan 0.000 0.226 351 P C -0.163 177.132 177.300 -0.008 0.000 1.153 351 P CA 0.492 63.584 63.100 -0.014 0.000 0.777 351 P CB -0.098 31.597 31.700 -0.009 0.000 0.794 352 V N -1.294 118.600 119.914 -0.032 0.000 5.931 352 V HA -0.107 3.995 4.120 -0.031 0.000 0.317 352 V C -2.130 173.988 176.094 0.039 0.000 0.562 352 V CA -0.857 61.433 62.300 -0.017 0.000 1.035 352 V CB -2.463 29.382 31.823 0.037 0.000 1.148 352 V HN 0.260 nan 8.190 nan 0.000 0.523 353 P HA 0.115 nan 4.420 nan 0.000 0.266 353 P C 1.347 178.703 177.300 0.092 0.000 1.193 353 P CA 0.907 64.034 63.100 0.045 0.000 0.770 353 P CB 0.805 32.520 31.700 0.024 0.000 0.836 354 G N 1.069 109.914 108.800 0.075 0.000 2.625 354 G HA2 -0.158 3.784 3.960 -0.031 0.000 0.214 354 G HA3 -0.158 3.784 3.960 -0.031 0.000 0.214 354 G C 0.675 175.639 174.900 0.106 0.000 1.132 354 G CA 0.366 45.517 45.100 0.084 0.000 0.782 354 G HN 0.537 nan 8.290 nan 0.000 0.538 355 Q N -0.332 119.533 119.800 0.109 0.000 2.314 355 Q HA 0.429 4.750 4.340 -0.031 0.000 0.259 355 Q C -1.178 174.937 176.000 0.191 0.000 0.951 355 Q CA -1.038 54.840 55.803 0.125 0.000 0.909 355 Q CB 0.763 29.548 28.738 0.079 0.000 1.236 355 Q HN 0.307 nan 8.270 nan 0.000 0.444 356 Y N 3.401 123.760 120.300 0.097 0.000 2.496 356 Y HA 0.274 4.806 4.550 -0.030 0.000 0.334 356 Y C -0.838 175.138 175.900 0.127 0.000 1.080 356 Y CA 0.414 58.587 58.100 0.122 0.000 1.355 356 Y CB 0.666 39.142 38.460 0.027 0.000 1.193 356 Y HN 0.554 nan 8.280 nan 0.000 0.523 357 D N 4.976 125.101 120.400 -0.458 0.000 2.575 357 D HA 0.359 4.981 4.640 -0.031 0.000 0.250 357 D C 0.415 176.442 176.300 -0.455 0.000 1.279 357 D CA 0.177 53.942 54.000 -0.392 0.000 0.925 357 D CB 1.729 42.464 40.800 -0.108 0.000 1.261 357 D HN 0.753 nan 8.370 nan 0.000 0.567 358 A N 2.729 125.237 122.820 -0.519 0.000 1.869 358 A HA -0.247 4.055 4.320 -0.031 0.000 0.218 358 A C 2.058 179.638 177.584 -0.007 0.000 1.203 358 A CA 2.980 54.876 52.037 -0.235 0.000 0.638 358 A CB -1.298 17.676 19.000 -0.044 0.000 0.831 358 A HN 0.705 nan 8.150 nan 0.000 0.450 359 T N -2.331 112.210 114.554 -0.022 0.000 2.822 359 T HA -0.188 4.144 4.350 -0.031 0.000 0.270 359 T C 1.579 176.283 174.700 0.006 0.000 1.064 359 T CA 1.837 63.939 62.100 0.002 0.000 1.131 359 T CB -0.318 68.540 68.868 -0.015 0.000 0.858 359 T HN 0.468 nan 8.240 nan 0.000 0.483 360 K N -0.140 120.257 120.400 -0.005 0.000 2.505 360 K HA 0.184 4.486 4.320 -0.031 0.000 0.192 360 K C -0.916 175.464 176.600 -0.368 0.000 1.025 360 K CA -0.072 56.129 56.287 -0.143 0.000 1.086 360 K CB -0.037 32.358 32.500 -0.175 0.000 0.840 360 K HN 0.414 nan 8.250 nan 0.000 0.514 361 F N 0.512 120.432 119.950 -0.051 0.000 2.556 361 F HA 0.371 4.880 4.527 -0.030 0.000 0.314 361 F C -0.198 175.605 175.800 0.006 0.000 1.106 361 F CA -0.949 57.051 58.000 -0.000 0.000 0.911 361 F CB 1.639 40.646 39.000 0.013 0.000 1.190 361 F HN -0.413 nan 8.300 nan 0.000 0.448 362 K N 2.148 122.668 120.400 0.200 0.000 2.185 362 K HA 0.419 4.721 4.320 -0.031 0.000 0.269 362 K C -0.875 175.799 176.600 0.123 0.000 0.987 362 K CA -0.942 55.406 56.287 0.101 0.000 0.865 362 K CB 1.851 34.425 32.500 0.123 0.000 1.090 362 K HN 0.507 nan 8.250 nan 0.000 0.450 363 Q N 2.306 122.063 119.800 -0.070 0.000 2.290 363 Q HA 0.323 4.645 4.340 -0.031 0.000 0.259 363 Q C -1.672 174.196 176.000 -0.220 0.000 0.941 363 Q CA -0.259 55.535 55.803 -0.017 0.000 0.912 363 Q CB 0.791 29.526 28.738 -0.005 0.000 1.244 363 Q HN 0.374 nan 8.270 nan 0.000 0.441 364 Y N 0.092 120.404 120.300 0.019 0.000 2.570 364 Y HA 0.653 5.184 4.550 -0.031 0.000 0.345 364 Y C -0.279 175.591 175.900 -0.050 0.000 1.014 364 Y CA -0.982 57.111 58.100 -0.012 0.000 1.063 364 Y CB 2.553 41.009 38.460 -0.007 0.000 1.272 364 Y HN 0.476 nan 8.280 nan 0.000 0.477 365 S N 2.294 118.023 115.700 0.049 0.000 2.561 365 S HA 0.713 5.165 4.470 -0.031 0.000 0.303 365 S C -1.197 173.341 174.600 -0.102 0.000 1.110 365 S CA -0.720 57.431 58.200 -0.081 0.000 1.034 365 S CB 0.286 63.324 63.200 -0.271 0.000 1.010 365 S HN 0.531 nan 8.310 nan 0.000 0.482 366 R N 2.810 123.281 120.500 -0.048 0.000 2.744 366 R HA 0.423 4.744 4.340 -0.031 0.000 0.279 366 R C -1.055 175.268 176.300 0.038 0.000 0.977 366 R CA -0.658 55.425 56.100 -0.028 0.000 0.906 366 R CB 1.485 31.777 30.300 -0.013 0.000 1.197 366 R HN 0.846 nan 8.270 nan 0.000 0.463 367 H N 0.940 119.973 119.070 -0.061 0.000 2.572 367 H HA 0.562 5.099 4.556 -0.031 0.000 0.359 367 H C -1.115 174.217 175.328 0.007 0.000 1.134 367 H CA -0.768 55.265 56.048 -0.025 0.000 1.187 367 H CB 2.125 31.878 29.762 -0.015 0.000 1.597 367 H HN 0.172 nan 8.280 nan 0.000 0.524 368 V N 3.207 122.759 119.914 -0.605 0.000 2.815 368 V HA 0.246 4.347 4.120 -0.031 0.000 0.314 368 V C -0.638 175.149 176.094 -0.512 0.000 1.064 368 V CA -0.575 61.498 62.300 -0.377 0.000 0.952 368 V CB 2.035 33.749 31.823 -0.181 0.000 1.020 368 V HN 0.773 nan 8.190 nan 0.000 0.439 369 E N 2.147 122.246 120.200 -0.167 0.000 2.278 369 E HA 0.448 4.780 4.350 -0.031 0.000 0.272 369 E C -1.187 175.472 176.600 0.098 0.000 0.890 369 E CA -0.436 55.951 56.400 -0.021 0.000 0.770 369 E CB 1.737 31.540 29.700 0.171 0.000 1.212 369 E HN 0.715 nan 8.360 nan 0.000 0.415 370 E N 4.557 124.736 120.200 -0.035 0.000 2.279 370 E HA 0.279 4.611 4.350 -0.031 0.000 0.252 370 E C -1.293 175.206 176.600 -0.169 0.000 0.894 370 E CA -0.528 55.871 56.400 -0.001 0.000 0.785 370 E CB 0.559 30.238 29.700 -0.035 0.000 1.237 370 E HN 0.402 nan 8.360 nan 0.000 0.418 371 Y N 1.632 121.890 120.300 -0.070 0.000 2.568 371 Y HA 0.493 5.025 4.550 -0.030 0.000 0.327 371 Y C 0.126 175.886 175.900 -0.233 0.000 1.163 371 Y CA -0.782 57.200 58.100 -0.196 0.000 1.219 371 Y CB 1.438 39.711 38.460 -0.313 0.000 1.308 371 Y HN 0.453 nan 8.280 nan 0.000 0.503 372 D N 1.024 121.349 120.400 -0.125 0.000 2.966 372 D HA 0.318 4.939 4.640 -0.031 0.000 0.222 372 D C -1.944 174.187 176.300 -0.283 0.000 1.292 372 D CA -0.249 53.646 54.000 -0.176 0.000 0.907 372 D CB 1.215 41.942 40.800 -0.122 0.000 1.621 372 D HN 0.543 nan 8.370 nan 0.000 0.557 373 L N 2.159 123.183 121.223 -0.332 0.000 2.334 373 L HA 0.556 4.878 4.340 -0.031 0.000 0.276 373 L C 0.115 176.699 176.870 -0.478 0.000 1.014 373 L CA -0.741 53.811 54.840 -0.480 0.000 0.815 373 L CB 2.005 43.829 42.059 -0.391 0.000 1.268 373 L HN 0.316 nan 8.230 nan 0.000 0.428 374 Q N 2.256 121.558 119.800 -0.830 0.000 2.359 374 Q HA 0.681 5.003 4.340 -0.031 0.000 0.274 374 Q C -1.752 173.646 176.000 -1.002 0.000 1.074 374 Q CA -0.567 54.832 55.803 -0.673 0.000 0.810 374 Q CB 3.136 31.625 28.738 -0.416 0.000 1.342 374 Q HN 0.370 nan 8.270 nan 0.000 0.427 375 F N 0.821 120.323 119.950 -0.746 0.000 2.662 375 F HA 0.574 5.084 4.527 -0.029 0.000 0.312 375 F C -0.718 174.513 175.800 -0.948 0.000 1.113 375 F CA -0.956 56.523 58.000 -0.868 0.000 0.951 375 F CB 1.444 39.733 39.000 -1.184 0.000 1.344 375 F HN 0.259 nan 8.300 nan 0.000 0.462 376 I N 2.220 122.378 120.570 -0.686 0.000 2.447 376 I HA 0.392 4.544 4.170 -0.031 0.000 0.287 376 I C -1.202 174.548 176.117 -0.612 0.000 1.023 376 I CA -0.671 60.262 61.300 -0.611 0.000 1.083 376 I CB 1.436 39.092 38.000 -0.574 0.000 1.245 376 I HN 0.426 nan 8.210 nan 0.000 0.434 377 F N 3.744 123.539 119.950 -0.259 0.000 2.522 377 F HA 0.496 5.005 4.527 -0.030 0.000 0.324 377 F C 0.395 176.249 175.800 0.090 0.000 1.077 377 F CA -0.697 57.192 58.000 -0.184 0.000 0.944 377 F CB 2.062 40.731 39.000 -0.552 0.000 1.175 377 F HN 0.377 nan 8.300 nan 0.000 0.468 378 Q N 2.530 122.586 119.800 0.427 0.000 2.337 378 Q HA 0.477 4.798 4.340 -0.031 0.000 0.266 378 Q C -1.476 174.768 176.000 0.406 0.000 1.023 378 Q CA -1.205 54.765 55.803 0.279 0.000 0.829 378 Q CB 2.117 30.941 28.738 0.143 0.000 1.306 378 Q HN 0.687 nan 8.270 nan 0.000 0.449 379 L N 3.726 125.149 121.223 0.333 0.000 2.360 379 L HA 0.302 4.624 4.340 -0.031 0.000 0.276 379 L C -1.293 175.519 176.870 -0.096 0.000 1.121 379 L CA 0.391 55.269 54.840 0.064 0.000 0.845 379 L CB 0.503 42.558 42.059 -0.007 0.000 1.143 379 L HN 0.777 nan 8.230 nan 0.000 0.452 380 C N 2.170 121.362 119.300 -0.180 0.000 2.848 380 C HA 0.850 5.292 4.460 -0.031 0.000 0.317 380 C C 0.076 174.950 174.990 -0.193 0.000 1.260 380 C CA -0.526 58.403 59.018 -0.148 0.000 1.656 380 C CB 2.005 29.683 27.740 -0.103 0.000 2.174 380 C HN 0.887 nan 8.230 nan 0.000 0.479 381 T N -0.491 113.990 114.554 -0.122 0.000 2.863 381 T HA 0.773 5.105 4.350 -0.031 0.000 0.285 381 T C -0.955 173.731 174.700 -0.025 0.000 1.009 381 T CA -0.390 61.651 62.100 -0.099 0.000 0.989 381 T CB 0.841 69.681 68.868 -0.047 0.000 1.004 381 T HN 0.505 nan 8.240 nan 0.000 0.455 382 I N 2.761 123.320 120.570 -0.019 0.000 2.382 382 I HA 0.283 4.434 4.170 -0.031 0.000 0.286 382 I C 0.022 176.169 176.117 0.050 0.000 1.002 382 I CA -0.761 60.588 61.300 0.081 0.000 1.135 382 I CB 1.969 40.070 38.000 0.170 0.000 1.288 382 I HN 0.723 nan 8.210 nan 0.000 0.448 383 T N 7.329 121.935 114.554 0.086 0.000 2.749 383 T HA 0.394 4.726 4.350 -0.031 0.000 0.295 383 T C 0.117 174.860 174.700 0.072 0.000 0.936 383 T CA -0.398 61.734 62.100 0.053 0.000 1.060 383 T CB 0.418 69.315 68.868 0.048 0.000 0.904 383 T HN 0.292 nan 8.240 nan 0.000 0.500 384 L N 4.949 126.199 121.223 0.044 0.000 2.325 384 L HA 0.375 4.696 4.340 -0.031 0.000 0.284 384 L C 1.185 178.088 176.870 0.055 0.000 1.089 384 L CA -0.391 54.493 54.840 0.073 0.000 0.836 384 L CB 0.125 42.224 42.059 0.067 0.000 1.184 384 L HN 0.793 nan 8.230 nan 0.000 0.444 385 T N -0.618 113.973 114.554 0.062 0.000 2.858 385 T HA 0.605 4.937 4.350 -0.031 0.000 0.285 385 T C 1.024 175.748 174.700 0.040 0.000 1.052 385 T CA -0.077 62.047 62.100 0.041 0.000 1.009 385 T CB 1.699 70.590 68.868 0.037 0.000 1.241 385 T HN 0.392 nan 8.240 nan 0.000 0.542 386 A N 1.354 124.191 122.820 0.028 0.000 1.849 386 A HA -0.166 4.136 4.320 -0.031 0.000 0.217 386 A C 1.837 179.437 177.584 0.028 0.000 1.202 386 A CA 2.624 54.676 52.037 0.024 0.000 0.629 386 A CB -1.646 17.364 19.000 0.017 0.000 0.834 386 A HN 1.006 nan 8.150 nan 0.000 0.447 387 D N -0.604 119.811 120.400 0.025 0.000 2.183 387 D HA -0.050 4.572 4.640 -0.031 0.000 0.203 387 D C 1.563 177.882 176.300 0.032 0.000 0.969 387 D CA 1.081 55.096 54.000 0.026 0.000 0.842 387 D CB -0.827 39.981 40.800 0.014 0.000 0.957 387 D HN 0.201 nan 8.370 nan 0.000 0.484 388 V N 0.447 120.376 119.914 0.025 0.000 2.295 388 V HA -0.253 3.849 4.120 -0.031 0.000 0.246 388 V C 2.567 178.700 176.094 0.066 0.000 1.049 388 V CA 1.778 64.091 62.300 0.022 0.000 1.024 388 V CB -0.483 31.382 31.823 0.070 0.000 0.648 388 V HN 0.216 nan 8.190 nan 0.000 0.447 389 M N 0.257 119.900 119.600 0.071 0.000 2.200 389 M HA -0.128 4.334 4.480 -0.031 0.000 0.265 389 M C 2.419 178.732 176.300 0.022 0.000 1.066 389 M CA 1.897 57.235 55.300 0.063 0.000 1.127 389 M CB -0.325 32.313 32.600 0.063 0.000 1.379 389 M HN 0.571 nan 8.290 nan 0.000 0.420 390 S N -0.440 115.276 115.700 0.027 0.000 2.423 390 S HA -0.198 4.253 4.470 -0.031 0.000 0.231 390 S C 1.797 176.395 174.600 -0.003 0.000 1.014 390 S CA 0.843 59.047 58.200 0.007 0.000 0.965 390 S CB -0.680 62.529 63.200 0.015 0.000 0.785 390 S HN 0.620 nan 8.310 nan 0.000 0.495 391 Y N 1.990 122.228 120.300 -0.104 0.000 2.153 391 Y HA 0.183 4.714 4.550 -0.031 0.000 0.289 391 Y C 2.021 177.823 175.900 -0.163 0.000 1.127 391 Y CA 1.394 59.413 58.100 -0.135 0.000 1.131 391 Y CB -0.342 37.990 38.460 -0.214 0.000 0.995 391 Y HN 0.211 nan 8.280 nan 0.000 0.505 392 I N 0.518 121.032 120.570 -0.093 0.000 2.454 392 I HA -0.287 3.865 4.170 -0.031 0.000 0.254 392 I C 2.285 178.226 176.117 -0.294 0.000 1.156 392 I CA 1.367 62.528 61.300 -0.232 0.000 1.433 392 I CB -0.441 37.482 38.000 -0.127 0.000 1.082 392 I HN 0.363 nan 8.210 nan 0.000 0.432 393 Q N 1.400 121.083 119.800 -0.195 0.000 1.948 393 Q HA -0.197 4.124 4.340 -0.031 0.000 0.205 393 Q C 2.301 178.178 176.000 -0.205 0.000 0.992 393 Q CA 2.795 58.494 55.803 -0.173 0.000 0.849 393 Q CB -0.401 28.273 28.738 -0.105 0.000 0.918 393 Q HN 0.374 nan 8.270 nan 0.000 0.421 394 S N 0.343 115.926 115.700 -0.195 0.000 2.378 394 S HA -0.321 4.131 4.470 -0.031 0.000 0.229 394 S C 1.840 176.285 174.600 -0.258 0.000 1.052 394 S CA 1.906 59.994 58.200 -0.187 0.000 1.084 394 S CB -0.659 62.437 63.200 -0.173 0.000 0.950 394 S HN 0.598 nan 8.310 nan 0.000 0.440 395 M N 1.005 120.347 119.600 -0.431 0.000 2.067 395 M HA -0.063 4.398 4.480 -0.031 0.000 0.260 395 M C 0.436 176.370 176.300 -0.610 0.000 1.069 395 M CA 1.676 56.566 55.300 -0.684 0.000 1.117 395 M CB 0.027 32.130 32.600 -0.829 0.000 1.334 395 M HN 0.321 nan 8.290 nan 0.000 0.407 396 N N -0.179 118.232 118.700 -0.480 0.000 2.932 396 N HA 0.064 4.786 4.740 -0.031 0.000 0.242 396 N C 0.371 175.693 175.510 -0.313 0.000 1.351 396 N CA 0.222 53.048 53.050 -0.373 0.000 0.785 396 N CB 0.909 39.168 38.487 -0.379 0.000 1.501 396 N HN 0.292 nan 8.380 nan 0.000 0.584 397 S N 0.929 116.487 115.700 -0.236 0.000 2.383 397 S HA -0.216 4.236 4.470 -0.031 0.000 0.229 397 S C 1.906 176.374 174.600 -0.219 0.000 1.030 397 S CA 1.784 59.859 58.200 -0.208 0.000 1.002 397 S CB -0.478 62.633 63.200 -0.148 0.000 0.829 397 S HN 0.597 nan 8.310 nan 0.000 0.467 398 S N 2.218 117.818 115.700 -0.168 0.000 2.462 398 S HA -0.020 4.431 4.470 -0.031 0.000 0.243 398 S C 1.733 176.139 174.600 -0.324 0.000 1.003 398 S CA 1.156 59.277 58.200 -0.131 0.000 0.970 398 S CB -0.997 62.235 63.200 0.055 0.000 0.762 398 S HN 0.621 nan 8.310 nan 0.000 0.510 399 I N 0.989 121.276 120.570 -0.471 0.000 2.179 399 I HA -0.143 4.008 4.170 -0.031 0.000 0.242 399 I C 2.348 177.813 176.117 -1.088 0.000 1.088 399 I CA 1.341 62.118 61.300 -0.872 0.000 1.357 399 I CB -0.378 37.090 38.000 -0.885 0.000 1.051 399 I HN 0.312 nan 8.210 nan 0.000 0.409 400 L N 0.124 120.930 121.223 -0.695 0.000 2.179 400 L HA -0.134 4.187 4.340 -0.031 0.000 0.208 400 L C 2.452 179.169 176.870 -0.254 0.000 1.096 400 L CA 0.922 55.504 54.840 -0.430 0.000 0.779 400 L CB -0.380 41.573 42.059 -0.177 0.000 0.922 400 L HN 0.217 nan 8.230 nan 0.000 0.443 401 E N 0.252 120.298 120.200 -0.257 0.000 2.038 401 E HA -0.250 4.081 4.350 -0.031 0.000 0.195 401 E C 1.582 178.112 176.600 -0.117 0.000 1.000 401 E CA 1.553 57.866 56.400 -0.145 0.000 0.803 401 E CB 0.104 29.730 29.700 -0.123 0.000 0.750 401 E HN 0.417 nan 8.360 nan 0.000 0.448 402 D N -0.573 119.695 120.400 -0.220 0.000 2.218 402 D HA -0.163 4.459 4.640 -0.031 0.000 0.204 402 D C 1.139 177.476 176.300 0.062 0.000 0.976 402 D CA 0.657 54.585 54.000 -0.120 0.000 0.853 402 D CB -0.182 40.490 40.800 -0.213 0.000 0.939 402 D HN 0.383 nan 8.370 nan 0.000 0.481 403 W N 1.349 122.611 121.300 -0.064 0.000 3.180 403 W HA 0.135 4.776 4.660 -0.031 0.000 0.254 403 W C 0.544 177.048 176.519 -0.026 0.000 1.318 403 W CA -0.368 56.955 57.345 -0.036 0.000 1.608 403 W CB -1.056 28.388 29.460 -0.026 0.000 1.124 403 W HN -0.102 nan 8.180 nan 0.000 0.694 439 K N 0.908 121.298 120.400 -0.016 0.000 2.253 439 K HA 0.246 4.548 4.320 -0.031 0.000 0.277 439 K C -0.681 175.889 176.600 -0.050 0.000 1.053 439 K CA -0.432 55.840 56.287 -0.026 0.000 0.892 439 K CB 0.547 33.027 32.500 -0.032 0.000 1.102 439 K HN 0.331 nan 8.250 nan 0.000 0.469 440 D N 4.245 124.618 120.400 -0.044 0.000 2.304 440 D HA 0.095 4.716 4.640 -0.031 0.000 0.250 440 D C -1.593 174.606 176.300 -0.168 0.000 1.107 440 D CA -1.787 52.157 54.000 -0.093 0.000 0.885 440 D CB 1.397 42.193 40.800 -0.007 0.000 1.192 440 D HN 0.279 nan 8.370 nan 0.000 0.436 441 P HA -0.036 nan 4.420 nan 0.000 0.242 441 P C 0.106 177.216 177.300 -0.316 0.000 1.197 441 P CA 0.645 63.502 63.100 -0.404 0.000 0.765 441 P CB -0.212 31.162 31.700 -0.543 0.000 0.936 442 Y N -1.198 119.150 120.300 0.080 0.000 2.612 442 Y HA 0.190 4.723 4.550 -0.030 0.000 0.250 442 Y C 1.432 177.414 175.900 0.136 0.000 1.175 442 Y CA -0.621 57.575 58.100 0.162 0.000 1.205 442 Y CB 0.185 38.860 38.460 0.358 0.000 1.201 442 Y HN -0.146 nan 8.280 nan 0.000 0.532 443 D N 0.616 121.116 120.400 0.166 0.000 2.378 443 D HA -0.093 4.529 4.640 -0.031 0.000 0.222 443 D C 1.669 178.000 176.300 0.052 0.000 0.980 443 D CA 0.943 55.007 54.000 0.106 0.000 0.907 443 D CB 0.276 41.108 40.800 0.055 0.000 0.899 443 D HN 0.277 nan 8.370 nan 0.000 0.527 444 K N -0.143 120.279 120.400 0.037 0.000 2.242 444 K HA 0.122 4.424 4.320 -0.031 0.000 0.200 444 K C 1.059 177.615 176.600 -0.074 0.000 1.050 444 K CA 0.098 56.379 56.287 -0.011 0.000 0.981 444 K CB 0.466 32.963 32.500 -0.005 0.000 0.795 444 K HN 0.189 nan 8.250 nan 0.000 0.477 445 L N 2.444 123.592 121.223 -0.125 0.000 2.395 445 L HA 0.156 4.477 4.340 -0.031 0.000 0.269 445 L C 0.459 176.988 176.870 -0.569 0.000 1.133 445 L CA -0.628 53.995 54.840 -0.363 0.000 0.812 445 L CB 0.367 42.134 42.059 -0.487 0.000 1.125 445 L HN -0.172 nan 8.230 nan 0.000 0.452 446 K N 2.926 122.993 120.400 -0.555 0.000 2.276 446 K HA 0.538 4.839 4.320 -0.031 0.000 0.283 446 K C -0.875 175.387 176.600 -0.562 0.000 1.044 446 K CA 0.164 56.208 56.287 -0.405 0.000 0.944 446 K CB 0.906 33.287 32.500 -0.199 0.000 1.012 446 K HN 0.337 nan 8.250 nan 0.000 0.472 447 F N 0.248 120.237 119.950 0.065 0.000 2.626 447 F HA 0.234 4.742 4.527 -0.031 0.000 0.311 447 F C -0.399 175.481 175.800 0.133 0.000 1.088 447 F CA -1.288 56.770 58.000 0.097 0.000 0.949 447 F CB 1.550 40.638 39.000 0.146 0.000 1.322 447 F HN 0.402 nan 8.300 nan 0.000 0.461 448 W N 4.500 125.871 121.300 0.117 0.000 2.357 448 W HA 0.300 4.942 4.660 -0.031 0.000 0.317 448 W C -0.998 175.592 176.519 0.118 0.000 1.101 448 W CA -0.989 56.380 57.345 0.040 0.000 1.380 448 W CB 0.327 29.701 29.460 -0.144 0.000 1.266 448 W HN 0.402 nan 8.180 nan 0.000 0.419 449 N N 4.933 123.942 118.700 0.515 0.000 2.458 449 N HA 0.191 4.912 4.740 -0.031 0.000 0.270 449 N C -0.975 174.747 175.510 0.354 0.000 1.102 449 N CA -0.074 53.178 53.050 0.335 0.000 0.967 449 N CB 1.976 40.592 38.487 0.214 0.000 1.078 449 N HN 0.072 nan 8.380 nan 0.000 0.471 450 V N 1.939 121.973 119.914 0.200 0.000 2.376 450 V HA 0.153 4.255 4.120 -0.031 0.000 0.287 450 V C 0.031 176.155 176.094 0.050 0.000 1.015 450 V CA -0.927 61.450 62.300 0.129 0.000 0.834 450 V CB 1.770 33.613 31.823 0.033 0.000 1.001 450 V HN 0.522 nan 8.190 nan 0.000 0.428 451 D N 4.598 125.035 120.400 0.062 0.000 2.274 451 D HA 0.392 5.014 4.640 -0.031 0.000 0.239 451 D C 0.175 176.490 176.300 0.025 0.000 1.104 451 D CA -0.175 53.841 54.000 0.028 0.000 0.840 451 D CB 1.852 42.680 40.800 0.046 0.000 1.100 451 D HN 0.499 nan 8.370 nan 0.000 0.477 452 L N 3.760 124.983 121.223 0.001 0.000 3.014 452 L HA 0.171 4.492 4.340 -0.031 0.000 0.263 452 L C 1.851 178.748 176.870 0.045 0.000 1.207 452 L CA -0.214 54.655 54.840 0.049 0.000 1.017 452 L CB 0.379 42.473 42.059 0.058 0.000 1.360 452 L HN 0.186 nan 8.230 nan 0.000 0.560 453 K N 0.453 120.824 120.400 -0.048 0.000 2.209 453 K HA -0.090 4.212 4.320 -0.031 0.000 0.204 453 K C 0.796 177.379 176.600 -0.028 0.000 1.048 453 K CA 0.900 57.104 56.287 -0.138 0.000 0.940 453 K CB 0.148 32.591 32.500 -0.094 0.000 0.729 453 K HN 0.208 nan 8.250 nan 0.000 0.451 454 E N 0.703 120.937 120.200 0.057 0.000 2.349 454 E HA 0.059 4.391 4.350 -0.031 0.000 0.201 454 E C 0.236 176.936 176.600 0.167 0.000 1.087 454 E CA 0.190 56.659 56.400 0.115 0.000 1.128 454 E CB 0.588 30.345 29.700 0.096 0.000 1.188 454 E HN 0.192 nan 8.360 nan 0.000 0.445 455 K N 0.029 120.563 120.400 0.223 0.000 2.517 455 K HA 0.185 4.486 4.320 -0.031 0.000 0.210 455 K C 0.026 176.818 176.600 0.320 0.000 1.166 455 K CA -0.249 56.178 56.287 0.234 0.000 1.030 455 K CB 0.721 33.312 32.500 0.151 0.000 0.974 455 K HN -0.052 nan 8.250 nan 0.000 0.585 456 F N 1.523 121.515 119.950 0.070 0.000 2.389 456 F HA 0.317 4.826 4.527 -0.030 0.000 0.337 456 F C 0.849 176.849 175.800 0.334 0.000 1.112 456 F CA -0.525 57.553 58.000 0.129 0.000 1.192 456 F CB 1.415 40.408 39.000 -0.012 0.000 1.185 456 F HN -0.259 nan 8.300 nan 0.000 0.552 457 S N 2.707 118.716 115.700 0.515 0.000 2.546 457 S HA 0.521 4.972 4.470 -0.031 0.000 0.274 457 S C 0.160 174.936 174.600 0.293 0.000 1.121 457 S CA -0.640 57.807 58.200 0.411 0.000 0.887 457 S CB 1.052 64.447 63.200 0.325 0.000 1.094 457 S HN 0.645 nan 8.310 nan 0.000 0.474 458 L N 1.623 122.930 121.223 0.141 0.000 2.477 458 L HA 0.216 4.537 4.340 -0.031 0.000 0.220 458 L C -0.254 176.626 176.870 0.016 0.000 1.106 458 L CA 0.361 55.137 54.840 -0.106 0.000 0.851 458 L CB -0.016 41.936 42.059 -0.178 0.000 0.994 458 L HN 0.641 nan 8.230 nan 0.000 0.462 459 D N 0.232 120.693 120.400 0.102 0.000 2.441 459 D HA 0.124 4.745 4.640 -0.031 0.000 0.221 459 D C 1.186 177.577 176.300 0.151 0.000 1.156 459 D CA -0.200 53.856 54.000 0.093 0.000 0.896 459 D CB 0.526 41.358 40.800 0.055 0.000 1.028 459 D HN 0.025 nan 8.370 nan 0.000 0.509 460 L N 0.701 122.012 121.223 0.146 0.000 2.083 460 L HA -0.169 4.152 4.340 -0.031 0.000 0.209 460 L C 2.095 179.045 176.870 0.133 0.000 1.083 460 L CA 1.213 56.162 54.840 0.182 0.000 0.752 460 L CB -0.375 41.800 42.059 0.194 0.000 0.899 460 L HN 0.463 nan 8.230 nan 0.000 0.433 461 D N 0.254 120.696 120.400 0.070 0.000 2.203 461 D HA -0.244 4.377 4.640 -0.031 0.000 0.199 461 D C 1.787 178.044 176.300 -0.071 0.000 0.997 461 D CA 1.309 55.314 54.000 0.009 0.000 0.863 461 D CB 0.146 40.945 40.800 -0.002 0.000 0.928 461 D HN 0.409 nan 8.370 nan 0.000 0.458 462 Q N -0.851 118.855 119.800 -0.158 0.000 2.472 462 Q HA -0.037 4.284 4.340 -0.031 0.000 0.208 462 Q C -0.201 175.358 176.000 -0.735 0.000 0.958 462 Q CA 0.494 56.036 55.803 -0.435 0.000 0.932 462 Q CB 0.142 28.529 28.738 -0.585 0.000 1.007 462 Q HN 0.498 nan 8.270 nan 0.000 0.508 463 Y N -0.137 120.048 120.300 -0.192 0.000 2.462 463 Y HA 0.204 4.736 4.550 -0.031 0.000 0.346 463 Y C -1.504 174.328 175.900 -0.113 0.000 0.976 463 Y CA -2.429 55.509 58.100 -0.269 0.000 1.044 463 Y CB 1.538 39.521 38.460 -0.796 0.000 1.230 463 Y HN -0.162 nan 8.280 nan 0.000 0.455 464 P HA -0.263 nan 4.420 nan 0.000 0.211 464 P C 1.762 179.133 177.300 0.118 0.000 1.181 464 P CA 1.619 64.762 63.100 0.072 0.000 0.929 464 P CB 0.534 32.264 31.700 0.049 0.000 0.789 465 L N -0.565 120.744 121.223 0.144 0.000 2.089 465 L HA -0.166 4.155 4.340 -0.031 0.000 0.213 465 L C 2.667 179.712 176.870 0.292 0.000 1.079 465 L CA 2.295 57.229 54.840 0.157 0.000 0.758 465 L CB -1.362 40.731 42.059 0.057 0.000 0.891 465 L HN 0.091 nan 8.230 nan 0.000 0.433 466 G N -0.611 108.366 108.800 0.295 0.000 2.418 466 G HA2 -0.263 3.679 3.960 -0.031 0.000 0.217 466 G HA3 -0.263 3.679 3.960 -0.031 0.000 0.217 466 G C 1.623 176.667 174.900 0.239 0.000 1.158 466 G CA 0.604 45.870 45.100 0.277 0.000 0.771 466 G HN 0.373 nan 8.290 nan 0.000 0.545 467 R N 0.387 120.981 120.500 0.156 0.000 2.062 467 R HA 0.050 4.371 4.340 -0.031 0.000 0.229 467 R C 2.623 178.983 176.300 0.100 0.000 1.128 467 R CA 1.196 57.351 56.100 0.091 0.000 0.960 467 R CB -0.301 30.026 30.300 0.045 0.000 0.855 467 R HN 0.262 nan 8.270 nan 0.000 0.432 468 K N 0.287 120.787 120.400 0.166 0.000 2.089 468 K HA -0.212 4.089 4.320 -0.031 0.000 0.210 468 K C 1.858 178.591 176.600 0.221 0.000 1.048 468 K CA 1.720 58.151 56.287 0.240 0.000 0.926 468 K CB -0.315 32.381 32.500 0.327 0.000 0.714 468 K HN 0.112 nan 8.250 nan 0.000 0.448 469 F N 1.237 121.251 119.950 0.106 0.000 2.365 469 F HA -0.050 4.458 4.527 -0.031 0.000 0.300 469 F C 1.554 177.125 175.800 -0.380 0.000 1.090 469 F CA 0.938 58.731 58.000 -0.346 0.000 1.408 469 F CB 0.086 39.010 39.000 -0.127 0.000 1.060 469 F HN -0.090 nan 8.300 nan 0.000 0.534 470 L N -1.194 119.887 121.223 -0.237 0.000 2.209 470 L HA -0.096 4.226 4.340 -0.031 0.000 0.207 470 L C 2.270 178.937 176.870 -0.340 0.000 1.094 470 L CA 0.341 54.991 54.840 -0.317 0.000 0.790 470 L CB -0.455 41.554 42.059 -0.083 0.000 0.932 470 L HN -0.035 nan 8.230 nan 0.000 0.447 471 V N -0.237 119.531 119.914 -0.243 0.000 2.223 471 V HA -0.346 3.756 4.120 -0.031 0.000 0.244 471 V C 2.471 178.381 176.094 -0.308 0.000 1.045 471 V CA 2.034 64.208 62.300 -0.210 0.000 1.000 471 V CB -0.721 31.034 31.823 -0.113 0.000 0.635 471 V HN 0.538 nan 8.190 nan 0.000 0.445 472 Q N 0.200 119.754 119.800 -0.410 0.000 2.242 472 Q HA -0.304 4.018 4.340 -0.031 0.000 0.211 472 Q C 2.080 177.742 176.000 -0.563 0.000 0.992 472 Q CA 2.537 58.026 55.803 -0.524 0.000 0.889 472 Q CB -0.302 27.913 28.738 -0.871 0.000 0.913 472 Q HN 0.655 nan 8.270 nan 0.000 0.422 473 A N -1.141 121.264 122.820 -0.692 0.000 2.016 473 A HA 0.191 4.492 4.320 -0.031 0.000 0.217 473 A C 1.707 179.084 177.584 -0.346 0.000 1.162 473 A CA 1.776 53.455 52.037 -0.598 0.000 0.662 473 A CB -0.132 18.385 19.000 -0.805 0.000 0.812 473 A HN 0.645 nan 8.150 nan 0.000 0.450 474 G N -1.201 107.429 108.800 -0.283 0.000 3.435 474 G HA2 -0.132 3.809 3.960 -0.031 0.000 0.197 474 G HA3 -0.132 3.809 3.960 -0.031 0.000 0.197 474 G C 0.421 175.229 174.900 -0.152 0.000 1.497 474 G CA -0.204 44.785 45.100 -0.184 0.000 1.043 474 G HN 0.925 nan 8.290 nan 0.000 0.466 475 L N 0.000 121.130 121.223 -0.155 0.000 2.949 475 L HA 0.000 4.322 4.340 -0.031 0.000 0.249 475 L CA 0.000 54.776 54.840 -0.107 0.000 0.813 475 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502