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 1rye_1_B DATA FIRST_RESID 1 DATA SEQUENCE ATLPAGASQV PTTPAGRPMP YAIXXXXXXR RFGYAIVGLG KYALNQILPG DATA SEQUENCE FAGCQHSRIE ALVSGNAEKA KIVAAEYGVD PRKIYDYSNF DKIAKDPKID DATA SEQUENCE AVYIILPNSL HAEFAIRAFK AGKHVMCEKP MATSVADCQR MIDAAKAANK DATA SEQUENCE KLMIGYRCHY DPMNRAAVKL IRENQLGKLG MVTTDNSDVM DQNDPAQQWR DATA SEQUENCE LRRELAGGGS LMDIGIYGLN GTRYLLGEEP IEVRAYTYSD PNDERFVEVE DATA SEQUENCE DRIIWQMRFR SGALSHGASS YSTTTTSRFS VQGDKAVLLM DPATGYYQNL DATA SEQUENCE ISVQTPGHAN QSMMXXXXMP ANNQFSAQLD HLAEAVINNK PVRSPGEEGM DATA SEQUENCE QDVRLIQAIY EAARTGRPVN TDWGYVRQGG Y VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.585 177.584 0.001 0.000 1.274 1 A CA 0.000 52.038 52.037 0.002 0.000 0.836 1 A CB 0.000 19.001 19.000 0.001 0.000 0.831 2 T N 1.502 116.057 114.554 0.001 0.000 2.739 2 T HA 0.545 4.895 4.350 0.001 0.000 0.303 2 T C -0.209 174.491 174.700 0.000 0.000 1.389 2 T CA -0.966 61.134 62.100 0.001 0.000 1.001 2 T CB 0.748 69.616 68.868 0.001 0.000 1.436 2 T HN 0.770 nan 8.240 nan 0.000 0.500 3 L N 2.223 123.446 121.223 -0.000 0.000 2.742 3 L HA 0.019 4.359 4.340 0.001 0.000 0.297 3 L C -1.818 175.052 176.870 0.001 0.000 1.238 3 L CA -0.814 54.026 54.840 -0.001 0.000 0.895 3 L CB -0.471 41.587 42.059 -0.001 0.000 1.166 3 L HN 0.475 nan 8.230 nan 0.000 0.494 4 P HA -0.072 nan 4.420 nan 0.000 0.273 4 P C 0.307 177.610 177.300 0.004 0.000 1.252 4 P CA 0.275 63.377 63.100 0.003 0.000 0.809 4 P CB 0.473 32.175 31.700 0.003 0.000 1.017 5 A N 0.726 123.550 122.820 0.007 0.000 1.829 5 A HA -0.089 4.231 4.320 0.001 0.000 0.216 5 A C 2.306 179.895 177.584 0.008 0.000 1.207 5 A CA 2.249 54.291 52.037 0.008 0.000 0.622 5 A CB -1.986 17.020 19.000 0.010 0.000 0.846 5 A HN 0.623 nan 8.150 nan 0.000 0.447 6 G N -1.140 107.666 108.800 0.011 0.000 2.471 6 G HA2 0.110 4.070 3.960 0.001 0.000 0.219 6 G HA3 0.110 4.070 3.960 0.001 0.000 0.219 6 G C 1.583 176.487 174.900 0.007 0.000 1.125 6 G CA 1.439 46.546 45.100 0.011 0.000 0.775 6 G HN 0.816 nan 8.290 nan 0.000 0.548 7 A N 0.719 123.541 122.820 0.004 0.000 1.855 7 A HA 0.007 4.328 4.320 0.001 0.000 0.215 7 A C 2.576 180.160 177.584 -0.000 0.000 1.191 7 A CA 2.093 54.130 52.037 -0.001 0.000 0.613 7 A CB -0.941 18.057 19.000 -0.003 0.000 0.829 7 A HN 0.352 nan 8.150 nan 0.000 0.442 8 S N -0.307 115.393 115.700 0.001 0.000 2.465 8 S HA -0.136 4.334 4.470 0.001 0.000 0.241 8 S C 0.917 175.519 174.600 0.002 0.000 1.000 8 S CA 1.320 59.521 58.200 0.001 0.000 0.964 8 S CB -0.413 62.788 63.200 0.002 0.000 0.763 8 S HN 0.730 nan 8.310 nan 0.000 0.512 9 Q N 0.833 120.635 119.800 0.003 0.000 2.466 9 Q HA 0.645 4.985 4.340 0.001 0.000 0.242 9 Q C -1.254 174.749 176.000 0.004 0.000 1.046 9 Q CA -0.534 55.272 55.803 0.004 0.000 0.841 9 Q CB 1.188 29.929 28.738 0.006 0.000 1.193 9 Q HN 0.066 nan 8.270 nan 0.000 0.508 10 V N 3.521 123.437 119.914 0.003 0.000 2.789 10 V HA 0.409 4.529 4.120 0.001 0.000 0.300 10 V C -2.387 173.708 176.094 0.002 0.000 1.184 10 V CA -1.562 60.739 62.300 0.003 0.000 0.930 10 V CB 2.233 34.057 31.823 0.001 0.000 1.041 10 V HN 0.709 nan 8.190 nan 0.000 0.430 11 P HA 0.128 nan 4.420 nan 0.000 0.261 11 P C 0.998 178.299 177.300 0.001 0.000 1.203 11 P CA 0.113 63.214 63.100 0.002 0.000 0.767 11 P CB 0.449 32.150 31.700 0.002 0.000 0.785 12 T N -0.594 113.960 114.554 0.000 0.000 3.400 12 T HA 0.045 4.396 4.350 0.001 0.000 0.254 12 T C 0.469 175.168 174.700 -0.001 0.000 1.153 12 T CA 0.073 62.172 62.100 -0.001 0.000 1.012 12 T CB -1.006 67.861 68.868 -0.001 0.000 0.994 12 T HN 0.475 nan 8.240 nan 0.000 0.555 13 T N -0.341 114.213 114.554 -0.000 0.000 2.900 13 T HA 0.617 4.967 4.350 0.001 0.000 0.295 13 T C -3.184 171.516 174.700 0.001 0.000 1.044 13 T CA -2.062 60.038 62.100 0.000 0.000 0.995 13 T CB 1.792 70.660 68.868 0.000 0.000 1.072 13 T HN -0.059 nan 8.240 nan 0.000 0.473 14 P HA 0.374 nan 4.420 nan 0.000 0.266 14 P C -0.462 176.839 177.300 0.002 0.000 1.180 14 P CA 0.090 63.190 63.100 0.001 0.000 0.765 14 P CB 0.288 31.988 31.700 0.000 0.000 0.806 15 A N 1.887 124.709 122.820 0.003 0.000 2.573 15 A HA 0.712 5.032 4.320 0.001 0.000 0.310 15 A C -0.498 177.089 177.584 0.005 0.000 1.142 15 A CA -0.228 51.811 52.037 0.004 0.000 0.620 15 A CB 0.633 19.636 19.000 0.004 0.000 1.382 15 A HN 0.598 nan 8.150 nan 0.000 0.545 16 G N 0.177 108.981 108.800 0.006 0.000 2.348 16 G HA2 0.573 4.533 3.960 0.001 0.000 0.312 16 G HA3 0.573 4.533 3.960 0.001 0.000 0.312 16 G C -0.646 174.260 174.900 0.010 0.000 1.126 16 G CA -0.373 44.731 45.100 0.008 0.000 0.865 16 G HN 0.498 nan 8.290 nan 0.000 0.474 17 R N 1.652 122.160 120.500 0.013 0.000 2.621 17 R HA 0.441 4.781 4.340 0.001 0.000 0.292 17 R C -1.977 174.336 176.300 0.023 0.000 0.969 17 R CA -1.291 54.820 56.100 0.018 0.000 0.887 17 R CB 1.907 32.217 30.300 0.017 0.000 1.180 17 R HN 0.596 nan 8.270 nan 0.000 0.450 18 P HA 0.155 nan 4.420 nan 0.000 0.271 18 P C -0.011 177.314 177.300 0.041 0.000 1.233 18 P CA -0.496 62.624 63.100 0.032 0.000 0.789 18 P CB 0.584 32.307 31.700 0.038 0.000 0.951 19 M N 1.102 120.723 119.600 0.034 0.000 2.245 19 M HA 0.059 4.540 4.480 0.001 0.000 0.335 19 M C -1.630 174.713 176.300 0.072 0.000 1.155 19 M CA -0.580 54.743 55.300 0.038 0.000 1.055 19 M CB -1.110 31.502 32.600 0.020 0.000 1.670 19 M HN 0.312 nan 8.290 nan 0.000 0.447 20 P HA 0.145 nan 4.420 nan 0.000 0.282 20 P C -0.660 176.767 177.300 0.212 0.000 1.286 20 P CA -0.245 62.943 63.100 0.146 0.000 0.777 20 P CB 0.329 32.085 31.700 0.093 0.000 1.184 21 Y N -0.812 119.490 120.300 0.004 0.000 2.260 21 Y HA 0.427 4.977 4.550 0.001 0.000 0.339 21 Y C 1.080 176.983 175.900 0.006 0.000 1.317 21 Y CA -0.487 57.617 58.100 0.005 0.000 1.514 21 Y CB -0.244 38.219 38.460 0.005 0.000 1.382 21 Y HN 0.315 nan 8.280 nan 0.000 0.581 22 A N 1.652 124.540 122.820 0.114 0.000 2.239 22 A HA 0.501 4.822 4.320 0.001 0.000 0.303 22 A C 0.252 177.886 177.584 0.083 0.000 1.114 22 A CA -0.520 51.555 52.037 0.064 0.000 0.871 22 A CB 0.110 19.117 19.000 0.012 0.000 1.201 22 A HN 0.764 nan 8.150 nan 0.000 0.506 31 R N -0.002 120.632 120.500 0.223 0.000 3.782 31 R HA 0.362 4.703 4.340 0.001 0.000 0.291 31 R C -0.705 175.765 176.300 0.283 0.000 1.539 31 R CA -0.181 56.034 56.100 0.193 0.000 1.345 31 R CB -0.131 30.257 30.300 0.146 0.000 1.408 31 R HN 0.061 nan 8.270 nan 0.000 0.654 32 F N 0.420 120.413 119.950 0.072 0.000 3.152 32 F HA 0.374 4.901 4.527 0.000 0.000 0.367 32 F C -0.329 175.493 175.800 0.035 0.000 1.272 32 F CA -0.769 57.242 58.000 0.018 0.000 1.172 32 F CB 1.438 40.448 39.000 0.017 0.000 1.552 32 F HN 0.264 nan 8.300 nan 0.000 0.616 33 G N 3.445 112.056 108.800 -0.314 0.000 2.483 33 G HA2 0.321 4.282 3.960 0.001 0.000 0.248 33 G HA3 0.321 4.282 3.960 0.001 0.000 0.248 33 G C -1.842 172.855 174.900 -0.339 0.000 1.248 33 G CA 0.055 45.028 45.100 -0.212 0.000 0.838 33 G HN 0.521 nan 8.290 nan 0.000 0.566 34 Y N -0.117 120.125 120.300 -0.097 0.000 2.462 34 Y HA 0.542 5.093 4.550 0.001 0.000 0.346 34 Y C 0.297 176.175 175.900 -0.037 0.000 0.976 34 Y CA -0.647 57.449 58.100 -0.007 0.000 1.044 34 Y CB 2.659 41.244 38.460 0.208 0.000 1.230 34 Y HN 0.716 nan 8.280 nan 0.000 0.455 35 A N 4.649 127.596 122.820 0.211 0.000 2.508 35 A HA 0.562 4.883 4.320 0.001 0.000 0.336 35 A C -1.236 176.457 177.584 0.181 0.000 1.360 35 A CA -0.525 51.588 52.037 0.126 0.000 0.841 35 A CB -0.640 18.395 19.000 0.057 0.000 1.136 35 A HN 0.567 nan 8.150 nan 0.000 0.489 36 I N 2.320 122.952 120.570 0.104 0.000 2.505 36 I HA 0.106 4.276 4.170 0.001 0.000 0.287 36 I C 0.082 176.216 176.117 0.028 0.000 1.104 36 I CA 0.370 61.697 61.300 0.046 0.000 1.387 36 I CB 1.142 39.086 38.000 -0.093 0.000 1.404 36 I HN 0.310 nan 8.210 nan 0.000 0.528 37 V N 6.406 126.340 119.914 0.033 0.000 2.333 37 V HA 0.786 4.907 4.120 0.001 0.000 0.274 37 V C 0.492 176.554 176.094 -0.054 0.000 1.028 37 V CA -0.435 61.856 62.300 -0.015 0.000 0.851 37 V CB 0.499 32.262 31.823 -0.101 0.000 1.000 37 V HN 1.027 nan 8.190 nan 0.000 0.456 38 G N 4.976 113.769 108.800 -0.012 0.000 3.373 38 G HA2 -0.113 3.847 3.960 0.001 0.000 0.685 38 G HA3 -0.113 3.847 3.960 0.001 0.000 0.685 38 G C -0.818 174.068 174.900 -0.024 0.000 1.166 38 G CA -0.972 44.121 45.100 -0.012 0.000 1.063 38 G HN 0.653 nan 8.290 nan 0.000 0.481 39 L N 2.988 124.207 121.223 -0.005 0.000 2.657 39 L HA 0.491 4.832 4.340 0.001 0.000 0.239 39 L C 1.398 178.273 176.870 0.009 0.000 1.215 39 L CA 0.107 54.934 54.840 -0.021 0.000 1.161 39 L CB 0.055 42.101 42.059 -0.022 0.000 1.436 39 L HN 0.682 nan 8.230 nan 0.000 0.414 40 G N -0.229 108.584 108.800 0.023 0.000 2.568 40 G HA2 0.208 4.168 3.960 0.001 0.000 0.293 40 G HA3 0.208 4.168 3.960 0.001 0.000 0.293 40 G C 0.618 175.562 174.900 0.074 0.000 1.347 40 G CA -0.430 44.713 45.100 0.071 0.000 1.039 40 G HN 0.291 nan 8.290 nan 0.000 0.523 41 K N -1.602 118.871 120.400 0.122 0.000 2.020 41 K HA -0.222 4.098 4.320 0.001 0.000 0.212 41 K C 2.066 178.738 176.600 0.119 0.000 1.050 41 K CA 1.800 58.159 56.287 0.120 0.000 0.929 41 K CB -0.394 32.201 32.500 0.157 0.000 0.714 41 K HN 0.473 nan 8.250 nan 0.000 0.443 42 Y N 0.676 120.985 120.300 0.016 0.000 2.133 42 Y HA -0.180 4.370 4.550 0.000 0.000 0.287 42 Y C 2.053 177.864 175.900 -0.148 0.000 1.134 42 Y CA 1.399 59.466 58.100 -0.055 0.000 1.133 42 Y CB -0.810 37.675 38.460 0.040 0.000 0.987 42 Y HN 0.153 nan 8.280 nan 0.000 0.502 43 A N -0.221 122.509 122.820 -0.150 0.000 1.917 43 A HA -0.208 4.112 4.320 0.001 0.000 0.219 43 A C 2.136 179.545 177.584 -0.292 0.000 1.182 43 A CA 2.064 53.913 52.037 -0.314 0.000 0.633 43 A CB -1.111 17.775 19.000 -0.190 0.000 0.819 43 A HN 0.464 nan 8.150 nan 0.000 0.448 44 L N -0.084 121.041 121.223 -0.164 0.000 2.131 44 L HA -0.012 4.328 4.340 0.001 0.000 0.206 44 L C 1.637 178.443 176.870 -0.108 0.000 1.087 44 L CA 1.513 56.290 54.840 -0.105 0.000 0.767 44 L CB -0.667 41.375 42.059 -0.028 0.000 0.917 44 L HN 0.399 nan 8.230 nan 0.000 0.441 45 N N -1.623 116.985 118.700 -0.154 0.000 2.356 45 N HA 0.014 4.754 4.740 0.001 0.000 0.178 45 N C 1.218 176.523 175.510 -0.342 0.000 1.075 45 N CA 0.351 53.304 53.050 -0.160 0.000 0.889 45 N CB 0.561 39.001 38.487 -0.079 0.000 0.999 45 N HN 0.402 nan 8.380 nan 0.000 0.464 46 Q N -0.207 119.238 119.800 -0.592 0.000 2.620 46 Q HA 0.242 4.583 4.340 0.001 0.000 0.232 46 Q C 1.933 177.307 176.000 -1.043 0.000 0.836 46 Q CA 0.029 55.215 55.803 -1.028 0.000 0.938 46 Q CB 0.334 28.244 28.738 -1.379 0.000 1.242 46 Q HN 0.083 nan 8.270 nan 0.000 0.624 47 I N 1.709 121.726 120.570 -0.922 0.000 2.094 47 I HA -0.189 3.981 4.170 0.001 0.000 0.234 47 I C 2.378 178.279 176.117 -0.360 0.000 1.063 47 I CA 1.009 61.894 61.300 -0.692 0.000 1.328 47 I CB -1.242 36.309 38.000 -0.749 0.000 1.058 47 I HN 0.114 nan 8.210 nan 0.000 0.400 48 L N 0.931 121.989 121.223 -0.274 0.000 1.990 48 L HA -0.160 4.180 4.340 0.001 0.000 0.213 48 L C -0.020 176.868 176.870 0.029 0.000 1.072 48 L CA 2.484 57.189 54.840 -0.226 0.000 0.755 48 L CB -2.854 38.773 42.059 -0.719 0.000 0.889 48 L HN 0.157 nan 8.230 nan 0.000 0.432 49 P HA -0.083 nan 4.420 nan 0.000 0.220 49 P C 1.566 178.894 177.300 0.047 0.000 1.148 49 P CA 1.479 64.660 63.100 0.135 0.000 0.803 49 P CB -0.161 31.546 31.700 0.013 0.000 0.782 50 G N -1.616 107.114 108.800 -0.117 0.000 2.471 50 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 50 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 50 G C 1.071 175.931 174.900 -0.066 0.000 1.125 50 G CA 0.081 45.108 45.100 -0.122 0.000 0.775 50 G HN 0.182 nan 8.290 nan 0.000 0.548 51 F N 1.658 121.577 119.950 -0.051 0.000 2.365 51 F HA 0.071 4.598 4.527 0.001 0.000 0.300 51 F C 2.872 178.694 175.800 0.037 0.000 1.090 51 F CA 0.560 58.551 58.000 -0.015 0.000 1.408 51 F CB -0.028 38.949 39.000 -0.038 0.000 1.060 51 F HN 0.231 nan 8.300 nan 0.000 0.534 52 A N 0.229 123.176 122.820 0.212 0.000 1.927 52 A HA -0.203 4.117 4.320 0.001 0.000 0.220 52 A C 2.468 180.115 177.584 0.105 0.000 1.185 52 A CA 1.982 54.107 52.037 0.146 0.000 0.639 52 A CB -1.517 17.549 19.000 0.111 0.000 0.820 52 A HN 0.386 nan 8.150 nan 0.000 0.451 53 G N -1.914 106.937 108.800 0.086 0.000 2.985 53 G HA2 0.240 4.201 3.960 0.001 0.000 0.209 53 G HA3 0.240 4.201 3.960 0.001 0.000 0.209 53 G C 0.452 175.380 174.900 0.045 0.000 1.165 53 G CA 0.410 45.547 45.100 0.063 0.000 0.776 53 G HN 0.497 nan 8.290 nan 0.000 0.541 54 C N -0.054 119.282 119.300 0.060 0.000 2.656 54 C HA 0.291 4.752 4.460 0.001 0.000 0.391 54 C C 1.652 176.646 174.990 0.007 0.000 1.300 54 C CA -0.187 58.859 59.018 0.046 0.000 2.302 54 C CB 1.258 29.067 27.740 0.114 0.000 2.655 54 C HN 0.544 nan 8.230 nan 0.000 0.656 55 Q N -0.558 119.181 119.800 -0.100 0.000 2.462 55 Q HA 0.041 4.382 4.340 0.001 0.000 0.224 55 Q C 1.502 177.323 176.000 -0.297 0.000 0.911 55 Q CA 0.703 56.339 55.803 -0.279 0.000 0.925 55 Q CB 0.167 28.572 28.738 -0.555 0.000 1.063 55 Q HN 0.772 nan 8.270 nan 0.000 0.572 56 H N -0.319 118.820 119.070 0.115 0.000 2.557 56 H HA 0.281 4.837 4.556 0.001 0.000 0.281 56 H C 0.599 176.077 175.328 0.250 0.000 0.990 56 H CA 0.164 56.293 56.048 0.136 0.000 1.278 56 H CB 0.511 30.309 29.762 0.060 0.000 1.451 56 H HN -0.024 nan 8.280 nan 0.000 0.516 57 S N 1.959 117.911 115.700 0.420 0.000 2.592 57 S HA 0.393 4.863 4.470 0.001 0.000 0.271 57 S C 0.726 175.661 174.600 0.557 0.000 1.326 57 S CA -0.573 58.003 58.200 0.627 0.000 1.024 57 S CB 1.240 64.856 63.200 0.694 0.000 0.921 57 S HN 0.474 nan 8.310 nan 0.000 0.527 58 R N 0.135 120.977 120.500 0.569 0.000 2.739 58 R HA 0.528 4.869 4.340 0.001 0.000 0.271 58 R C -1.686 174.559 176.300 -0.091 0.000 1.010 58 R CA -0.898 55.341 56.100 0.231 0.000 0.897 58 R CB 0.635 31.020 30.300 0.142 0.000 1.236 58 R HN 0.503 nan 8.270 nan 0.000 0.466 59 I N 2.645 122.940 120.570 -0.458 0.000 2.278 59 I HA 0.075 4.246 4.170 0.001 0.000 0.296 59 I C 0.730 176.718 176.117 -0.216 0.000 1.121 59 I CA -0.057 60.886 61.300 -0.597 0.000 1.267 59 I CB 1.050 38.628 38.000 -0.703 0.000 1.447 59 I HN 0.830 nan 8.210 nan 0.000 0.509 60 E N 5.269 125.406 120.200 -0.106 0.000 2.075 60 E HA 0.179 4.529 4.350 0.001 0.000 0.190 60 E C 0.423 177.016 176.600 -0.011 0.000 0.969 60 E CA 0.693 57.067 56.400 -0.043 0.000 0.815 60 E CB 0.443 30.122 29.700 -0.035 0.000 0.776 60 E HN 0.689 nan 8.360 nan 0.000 0.457 61 A N -0.481 122.342 122.820 0.005 0.000 2.569 61 A HA 0.710 5.031 4.320 0.001 0.000 0.290 61 A C -1.535 176.081 177.584 0.053 0.000 1.136 61 A CA -0.781 51.303 52.037 0.079 0.000 0.710 61 A CB 1.105 20.214 19.000 0.181 0.000 1.303 61 A HN 0.126 nan 8.150 nan 0.000 0.413 62 L N 0.127 121.415 121.223 0.107 0.000 2.388 62 L HA 0.700 5.040 4.340 0.001 0.000 0.264 62 L C -1.258 175.693 176.870 0.133 0.000 0.998 62 L CA -1.049 53.827 54.840 0.060 0.000 0.817 62 L CB 2.319 44.381 42.059 0.005 0.000 1.338 62 L HN 0.404 nan 8.230 nan 0.000 0.414 63 V N 1.055 121.016 119.914 0.079 0.000 2.398 63 V HA 0.454 4.574 4.120 0.001 0.000 0.282 63 V C -0.347 175.708 176.094 -0.064 0.000 1.014 63 V CA -0.311 62.035 62.300 0.076 0.000 0.838 63 V CB 1.285 33.199 31.823 0.151 0.000 1.018 63 V HN 0.788 nan 8.190 nan 0.000 0.432 64 S N 3.100 118.699 115.700 -0.168 0.000 2.548 64 S HA 0.708 5.178 4.470 0.001 0.000 0.286 64 S C 0.735 175.065 174.600 -0.451 0.000 1.098 64 S CA 0.158 58.218 58.200 -0.234 0.000 0.930 64 S CB 2.065 65.211 63.200 -0.089 0.000 1.070 64 S HN 0.932 nan 8.310 nan 0.000 0.480 65 G N 2.550 111.098 108.800 -0.420 0.000 3.562 65 G HA2 0.209 4.169 3.960 0.001 0.000 0.279 65 G HA3 0.209 4.169 3.960 0.001 0.000 0.279 65 G C -0.001 174.862 174.900 -0.062 0.000 1.314 65 G CA -0.312 44.618 45.100 -0.283 0.000 1.189 65 G HN 0.615 nan 8.290 nan 0.000 0.562 66 N N -0.032 118.622 118.700 -0.076 0.000 2.793 66 N HA 0.233 4.973 4.740 0.001 0.000 0.251 66 N C 1.040 176.530 175.510 -0.033 0.000 1.308 66 N CA 0.150 53.183 53.050 -0.028 0.000 0.781 66 N CB 1.060 39.547 38.487 0.001 0.000 1.439 66 N HN -0.029 nan 8.380 nan 0.000 0.562 67 A N 2.637 125.437 122.820 -0.034 0.000 1.903 67 A HA -0.217 4.103 4.320 0.001 0.000 0.219 67 A C 1.706 179.278 177.584 -0.019 0.000 1.191 67 A CA 1.780 53.798 52.037 -0.031 0.000 0.638 67 A CB -0.233 18.750 19.000 -0.027 0.000 0.823 67 A HN 0.674 nan 8.150 nan 0.000 0.451 68 E N -0.166 120.027 120.200 -0.012 0.000 2.005 68 E HA -0.205 4.145 4.350 0.001 0.000 0.198 68 E C 2.001 178.599 176.600 -0.003 0.000 1.010 68 E CA 1.652 58.049 56.400 -0.005 0.000 0.825 68 E CB -0.378 29.322 29.700 -0.000 0.000 0.769 68 E HN 0.692 nan 8.360 nan 0.000 0.456 69 K N 0.414 120.814 120.400 0.001 0.000 2.077 69 K HA -0.269 4.051 4.320 0.001 0.000 0.213 69 K C 2.063 178.665 176.600 0.003 0.000 1.051 69 K CA 1.844 58.135 56.287 0.006 0.000 0.929 69 K CB -0.290 32.215 32.500 0.008 0.000 0.715 69 K HN 0.157 nan 8.250 nan 0.000 0.451 70 A N 1.668 124.484 122.820 -0.008 0.000 1.877 70 A HA -0.183 4.138 4.320 0.001 0.000 0.216 70 A C 2.104 179.686 177.584 -0.002 0.000 1.186 70 A CA 1.598 53.629 52.037 -0.010 0.000 0.620 70 A CB -0.601 18.385 19.000 -0.024 0.000 0.822 70 A HN 0.284 nan 8.150 nan 0.000 0.443 71 K N 0.303 120.699 120.400 -0.007 0.000 2.000 71 K HA -0.199 4.121 4.320 0.001 0.000 0.218 71 K C 1.860 178.463 176.600 0.004 0.000 1.053 71 K CA 2.274 58.557 56.287 -0.006 0.000 0.946 71 K CB -0.801 31.693 32.500 -0.010 0.000 0.723 71 K HN 0.562 nan 8.250 nan 0.000 0.446 72 I N 0.651 121.226 120.570 0.007 0.000 2.091 72 I HA -0.318 3.852 4.170 0.001 0.000 0.239 72 I C 2.482 178.621 176.117 0.036 0.000 1.061 72 I CA 1.285 62.593 61.300 0.013 0.000 1.317 72 I CB -0.581 37.426 38.000 0.011 0.000 1.031 72 I HN -0.073 nan 8.210 nan 0.000 0.401 73 V N 1.291 121.238 119.914 0.054 0.000 2.282 73 V HA -0.378 3.742 4.120 0.001 0.000 0.249 73 V C 2.812 178.995 176.094 0.147 0.000 1.057 73 V CA 2.249 64.620 62.300 0.118 0.000 1.032 73 V CB -1.172 30.692 31.823 0.067 0.000 0.645 73 V HN 0.560 nan 8.190 nan 0.000 0.447 74 A N -0.120 122.740 122.820 0.067 0.000 1.873 74 A HA -0.235 4.086 4.320 0.001 0.000 0.218 74 A C 2.449 180.067 177.584 0.058 0.000 1.193 74 A CA 2.715 54.783 52.037 0.051 0.000 0.629 74 A CB -1.018 17.990 19.000 0.013 0.000 0.826 74 A HN 0.640 nan 8.150 nan 0.000 0.447 75 A N -0.420 122.419 122.820 0.031 0.000 1.865 75 A HA -0.224 4.096 4.320 0.001 0.000 0.217 75 A C 1.889 179.470 177.584 -0.005 0.000 1.191 75 A CA 1.787 53.829 52.037 0.008 0.000 0.623 75 A CB -0.796 18.201 19.000 -0.006 0.000 0.826 75 A HN 0.643 nan 8.150 nan 0.000 0.444 76 E N -1.341 118.850 120.200 -0.015 0.000 2.086 76 E HA -0.268 4.083 4.350 0.001 0.000 0.205 76 E C 1.496 177.943 176.600 -0.255 0.000 1.027 76 E CA 2.065 58.381 56.400 -0.140 0.000 0.830 76 E CB -0.374 29.223 29.700 -0.171 0.000 0.751 76 E HN 0.853 nan 8.360 nan 0.000 0.456 77 Y N -0.629 119.643 120.300 -0.046 0.000 2.466 77 Y HA 0.222 4.773 4.550 0.000 0.000 0.272 77 Y C 1.204 177.073 175.900 -0.052 0.000 1.169 77 Y CA 0.276 58.343 58.100 -0.055 0.000 1.285 77 Y CB 0.937 39.345 38.460 -0.086 0.000 1.078 77 Y HN 0.103 nan 8.280 nan 0.000 0.523 78 G N 1.045 109.878 108.800 0.055 0.000 2.298 78 G HA2 -0.229 3.731 3.960 0.001 0.000 0.287 78 G HA3 -0.229 3.731 3.960 0.001 0.000 0.287 78 G C -0.523 174.395 174.900 0.030 0.000 1.075 78 G CA 0.068 45.184 45.100 0.027 0.000 0.960 78 G HN 0.131 nan 8.290 nan 0.000 0.502 79 V N 0.689 120.623 119.914 0.033 0.000 2.472 79 V HA 0.350 4.470 4.120 0.001 0.000 0.290 79 V C 0.729 176.823 176.094 0.000 0.000 1.037 79 V CA -0.938 61.368 62.300 0.010 0.000 0.908 79 V CB 1.845 33.669 31.823 0.003 0.000 0.985 79 V HN 0.485 nan 8.190 nan 0.000 0.454 80 D N 7.435 127.831 120.400 -0.006 0.000 2.479 80 D HA 0.004 4.644 4.640 0.001 0.000 0.257 80 D C -1.197 175.087 176.300 -0.026 0.000 1.230 80 D CA -1.086 52.905 54.000 -0.015 0.000 0.912 80 D CB 1.544 42.334 40.800 -0.016 0.000 1.130 80 D HN 0.321 nan 8.370 nan 0.000 0.515 81 P HA -0.124 nan 4.420 nan 0.000 0.229 81 P C 0.646 177.907 177.300 -0.064 0.000 1.150 81 P CA 0.709 63.787 63.100 -0.038 0.000 0.765 81 P CB 0.231 31.912 31.700 -0.030 0.000 0.783 82 R N -0.056 120.400 120.500 -0.074 0.000 2.334 82 R HA 0.172 4.513 4.340 0.001 0.000 0.216 82 R C 1.014 177.204 176.300 -0.183 0.000 0.905 82 R CA 0.151 56.182 56.100 -0.114 0.000 1.064 82 R CB 0.231 30.478 30.300 -0.089 0.000 1.046 82 R HN 0.190 nan 8.270 nan 0.000 0.508 83 K N 1.093 121.409 120.400 -0.140 0.000 2.896 83 K HA 0.301 4.622 4.320 0.001 0.000 0.210 83 K C -0.446 176.116 176.600 -0.062 0.000 1.116 83 K CA -0.034 56.167 56.287 -0.143 0.000 1.050 83 K CB 0.859 33.379 32.500 0.032 0.000 0.812 83 K HN 0.044 nan 8.250 nan 0.000 0.462 84 I N 2.254 122.730 120.570 -0.157 0.000 2.361 84 I HA 0.207 4.377 4.170 0.001 0.000 0.282 84 I C -0.418 175.657 176.117 -0.070 0.000 1.075 84 I CA -0.737 60.540 61.300 -0.040 0.000 1.205 84 I CB 0.033 38.002 38.000 -0.051 0.000 1.406 84 I HN 0.073 nan 8.210 nan 0.000 0.481 85 Y N 3.835 124.127 120.300 -0.013 0.000 2.286 85 Y HA 0.354 4.905 4.550 0.000 0.000 0.347 85 Y C 0.556 176.424 175.900 -0.054 0.000 1.351 85 Y CA -0.573 57.528 58.100 0.001 0.000 1.640 85 Y CB 0.456 38.958 38.460 0.070 0.000 1.560 85 Y HN 0.551 nan 8.280 nan 0.000 0.574 86 D N -3.234 117.253 120.400 0.145 0.000 2.744 86 D HA 0.207 4.848 4.640 0.001 0.000 0.304 86 D C -0.413 175.887 176.300 0.001 0.000 1.179 86 D CA -0.646 53.278 54.000 -0.126 0.000 1.024 86 D CB 0.021 40.749 40.800 -0.120 0.000 1.453 86 D HN 0.293 nan 8.370 nan 0.000 0.529 87 Y N -0.176 120.249 120.300 0.208 0.000 2.373 87 Y HA 0.033 4.583 4.550 0.000 0.000 0.293 87 Y C 2.402 178.443 175.900 0.234 0.000 1.129 87 Y CA 0.871 59.137 58.100 0.277 0.000 1.226 87 Y CB -0.711 37.907 38.460 0.262 0.000 1.000 87 Y HN 0.252 nan 8.280 nan 0.000 0.549 88 S N 0.647 116.508 115.700 0.268 0.000 2.329 88 S HA -0.164 4.306 4.470 0.001 0.000 0.215 88 S C 1.528 176.234 174.600 0.177 0.000 1.031 88 S CA 1.489 59.799 58.200 0.184 0.000 0.985 88 S CB -0.666 62.608 63.200 0.122 0.000 0.917 88 S HN 0.719 nan 8.310 nan 0.000 0.441 89 N N 1.552 120.358 118.700 0.177 0.000 2.449 89 N HA 0.061 4.801 4.740 0.001 0.000 0.191 89 N C 1.045 176.693 175.510 0.230 0.000 1.161 89 N CA -0.014 53.139 53.050 0.170 0.000 0.863 89 N CB -0.645 37.930 38.487 0.147 0.000 0.980 89 N HN 0.317 nan 8.380 nan 0.000 0.458 90 F N 1.907 121.933 119.950 0.125 0.000 2.085 90 F HA -0.279 4.249 4.527 0.001 0.000 0.299 90 F C 0.970 176.745 175.800 -0.041 0.000 1.096 90 F CA 1.811 59.852 58.000 0.068 0.000 1.227 90 F CB -0.648 38.448 39.000 0.159 0.000 0.983 90 F HN 0.023 nan 8.300 nan 0.000 0.482 91 D N 0.088 120.299 120.400 -0.314 0.000 2.221 91 D HA -0.186 4.454 4.640 0.001 0.000 0.204 91 D C 1.990 178.102 176.300 -0.313 0.000 0.982 91 D CA 1.396 55.131 54.000 -0.442 0.000 0.857 91 D CB -0.234 40.461 40.800 -0.175 0.000 0.934 91 D HN 0.390 nan 8.370 nan 0.000 0.475 92 K N 0.595 120.918 120.400 -0.128 0.000 2.286 92 K HA -0.128 4.192 4.320 0.001 0.000 0.203 92 K C 2.057 178.645 176.600 -0.021 0.000 1.045 92 K CA 0.763 57.048 56.287 -0.003 0.000 0.935 92 K CB -0.388 32.200 32.500 0.146 0.000 0.737 92 K HN 0.464 nan 8.250 nan 0.000 0.460 93 I N -2.100 118.286 120.570 -0.306 0.000 2.657 93 I HA -0.191 3.980 4.170 0.001 0.000 0.261 93 I C 2.170 178.143 176.117 -0.240 0.000 1.212 93 I CA 1.084 62.122 61.300 -0.437 0.000 1.453 93 I CB -0.516 36.996 38.000 -0.812 0.000 1.092 93 I HN -0.076 nan 8.210 nan 0.000 0.452 94 A N 2.102 124.786 122.820 -0.226 0.000 1.948 94 A HA -0.201 4.120 4.320 0.001 0.000 0.220 94 A C 2.323 179.854 177.584 -0.087 0.000 1.177 94 A CA 1.772 53.715 52.037 -0.157 0.000 0.636 94 A CB -0.439 18.480 19.000 -0.136 0.000 0.815 94 A HN 0.417 nan 8.150 nan 0.000 0.449 95 K N 0.644 121.015 120.400 -0.048 0.000 1.965 95 K HA -0.127 4.194 4.320 0.001 0.000 0.218 95 K C 0.578 177.170 176.600 -0.014 0.000 1.048 95 K CA 0.819 57.096 56.287 -0.017 0.000 0.960 95 K CB -1.204 31.303 32.500 0.011 0.000 0.732 95 K HN 0.490 nan 8.250 nan 0.000 0.444 96 D N 2.080 122.488 120.400 0.012 0.000 2.554 96 D HA -0.055 4.586 4.640 0.001 0.000 0.251 96 D C -1.886 174.399 176.300 -0.026 0.000 1.213 96 D CA -0.949 53.059 54.000 0.013 0.000 0.900 96 D CB 0.915 41.758 40.800 0.072 0.000 1.135 96 D HN -0.049 nan 8.370 nan 0.000 0.522 97 P HA -0.003 nan 4.420 nan 0.000 0.230 97 P C 1.035 178.301 177.300 -0.056 0.000 1.168 97 P CA 0.331 63.406 63.100 -0.041 0.000 0.793 97 P CB 0.340 32.025 31.700 -0.024 0.000 0.851 98 K N -0.155 120.220 120.400 -0.042 0.000 2.360 98 K HA -0.031 4.290 4.320 0.001 0.000 0.201 98 K C 0.771 177.311 176.600 -0.100 0.000 1.046 98 K CA 0.644 56.901 56.287 -0.051 0.000 0.940 98 K CB -0.708 31.778 32.500 -0.023 0.000 0.748 98 K HN 0.322 nan 8.250 nan 0.000 0.465 99 I N 2.316 122.820 120.570 -0.111 0.000 2.269 99 I HA -0.005 4.165 4.170 0.001 0.000 0.293 99 I C 0.883 176.851 176.117 -0.249 0.000 1.106 99 I CA -0.111 61.089 61.300 -0.167 0.000 1.248 99 I CB 0.582 38.501 38.000 -0.136 0.000 1.444 99 I HN -0.040 nan 8.210 nan 0.000 0.497 100 D N 4.953 125.086 120.400 -0.445 0.000 2.162 100 D HA 0.074 4.715 4.640 0.001 0.000 0.203 100 D C 0.761 176.763 176.300 -0.496 0.000 0.967 100 D CA 0.889 54.528 54.000 -0.601 0.000 0.840 100 D CB 0.660 40.646 40.800 -1.357 0.000 0.972 100 D HN 0.611 nan 8.370 nan 0.000 0.482 101 A N -0.192 122.269 122.820 -0.599 0.000 2.588 101 A HA 0.553 4.873 4.320 0.001 0.000 0.290 101 A C -1.449 176.045 177.584 -0.149 0.000 1.136 101 A CA -0.507 51.354 52.037 -0.293 0.000 0.681 101 A CB 1.962 20.820 19.000 -0.238 0.000 1.282 101 A HN -0.053 nan 8.150 nan 0.000 0.421 102 V N -0.303 119.615 119.914 0.008 0.000 2.864 102 V HA 0.756 4.877 4.120 0.001 0.000 0.314 102 V C -1.908 174.355 176.094 0.281 0.000 1.073 102 V CA -0.516 61.874 62.300 0.151 0.000 0.956 102 V CB 1.979 33.877 31.823 0.124 0.000 1.023 102 V HN 1.034 nan 8.190 nan 0.000 0.435 103 Y N 5.986 126.406 120.300 0.200 0.000 2.426 103 Y HA 0.574 5.125 4.550 0.000 0.000 0.325 103 Y C -0.259 175.657 175.900 0.028 0.000 0.989 103 Y CA -1.376 56.820 58.100 0.159 0.000 1.284 103 Y CB 1.138 39.714 38.460 0.194 0.000 1.104 103 Y HN 0.566 nan 8.280 nan 0.000 0.481 104 I N 7.465 128.172 120.570 0.229 0.000 2.379 104 I HA 0.225 4.396 4.170 0.001 0.000 0.290 104 I C -0.016 176.119 176.117 0.030 0.000 1.063 104 I CA 0.237 61.543 61.300 0.011 0.000 1.351 104 I CB 0.597 38.489 38.000 -0.181 0.000 1.410 104 I HN 0.533 nan 8.210 nan 0.000 0.505 105 I N 8.075 128.640 120.570 -0.008 0.000 2.954 105 I HA 0.313 4.483 4.170 0.001 0.000 0.312 105 I C -0.357 175.720 176.117 -0.067 0.000 1.391 105 I CA 0.028 61.346 61.300 0.030 0.000 0.906 105 I CB -0.022 38.003 38.000 0.042 0.000 2.079 105 I HN 0.409 nan 8.210 nan 0.000 0.618 106 L N 2.418 123.550 121.223 -0.152 0.000 2.256 106 L HA 0.675 5.015 4.340 0.001 0.000 0.261 106 L C -2.238 174.425 176.870 -0.346 0.000 1.022 106 L CA -2.152 52.523 54.840 -0.275 0.000 0.828 106 L CB 1.539 43.336 42.059 -0.435 0.000 1.374 106 L HN -0.007 nan 8.230 nan 0.000 0.436 107 P HA 0.013 nan 4.420 nan 0.000 0.267 107 P C -0.325 176.492 177.300 -0.804 0.000 1.201 107 P CA -0.054 62.173 63.100 -1.456 0.000 0.775 107 P CB 0.436 31.260 31.700 -1.461 0.000 0.854 108 N N 1.228 119.438 118.700 -0.817 0.000 2.037 108 N HA -0.189 4.552 4.740 0.001 0.000 0.196 108 N C 1.831 177.030 175.510 -0.518 0.000 1.034 108 N CA 2.184 54.766 53.050 -0.780 0.000 0.861 108 N CB -1.318 37.004 38.487 -0.276 0.000 1.039 108 N HN 0.566 nan 8.380 nan 0.000 0.427 109 S N 0.411 115.949 115.700 -0.270 0.000 2.420 109 S HA -0.101 4.369 4.470 0.001 0.000 0.237 109 S C 1.668 176.211 174.600 -0.095 0.000 1.023 109 S CA 0.917 59.035 58.200 -0.137 0.000 0.991 109 S CB -0.370 62.783 63.200 -0.079 0.000 0.792 109 S HN 0.164 nan 8.310 nan 0.000 0.488 110 L N 0.844 121.992 121.223 -0.126 0.000 2.592 110 L HA 0.329 4.669 4.340 0.001 0.000 0.227 110 L C 2.076 179.028 176.870 0.138 0.000 1.127 110 L CA 0.457 55.288 54.840 -0.014 0.000 0.884 110 L CB -0.817 41.128 42.059 -0.191 0.000 1.065 110 L HN 0.406 nan 8.230 nan 0.000 0.457 111 H N -0.322 118.713 119.070 -0.059 0.000 2.253 111 H HA -0.148 4.408 4.556 0.000 0.000 0.299 111 H C 2.227 177.600 175.328 0.075 0.000 1.064 111 H CA 0.933 56.974 56.048 -0.011 0.000 1.264 111 H CB 0.143 29.892 29.762 -0.022 0.000 1.371 111 H HN 0.397 nan 8.280 nan 0.000 0.493 112 A N 1.316 124.264 122.820 0.213 0.000 1.896 112 A HA -0.344 3.976 4.320 0.001 0.000 0.220 112 A C 2.220 179.894 177.584 0.150 0.000 1.206 112 A CA 2.303 54.435 52.037 0.158 0.000 0.647 112 A CB -0.920 18.141 19.000 0.101 0.000 0.828 112 A HN 0.660 nan 8.150 nan 0.000 0.455 113 E N -1.394 118.889 120.200 0.139 0.000 2.086 113 E HA -0.242 4.109 4.350 0.001 0.000 0.200 113 E C 1.631 178.231 176.600 -0.001 0.000 1.012 113 E CA 1.843 58.282 56.400 0.064 0.000 0.812 113 E CB -0.277 29.453 29.700 0.052 0.000 0.743 113 E HN 0.623 nan 8.360 nan 0.000 0.453 114 F N 0.078 120.003 119.950 -0.041 0.000 2.512 114 F HA 0.196 4.723 4.527 0.001 0.000 0.296 114 F C 2.239 178.036 175.800 -0.006 0.000 1.110 114 F CA 0.670 58.613 58.000 -0.094 0.000 1.446 114 F CB -0.294 38.509 39.000 -0.327 0.000 1.092 114 F HN 0.120 nan 8.300 nan 0.000 0.554 115 A N 0.499 123.421 122.820 0.170 0.000 1.898 115 A HA -0.093 4.228 4.320 0.001 0.000 0.216 115 A C 2.241 179.929 177.584 0.174 0.000 1.181 115 A CA 1.354 53.442 52.037 0.085 0.000 0.620 115 A CB -0.887 18.236 19.000 0.205 0.000 0.819 115 A HN 0.324 nan 8.150 nan 0.000 0.442 116 I N -0.877 119.851 120.570 0.264 0.000 2.142 116 I HA -0.279 3.891 4.170 0.001 0.000 0.240 116 I C 2.790 179.026 176.117 0.198 0.000 1.078 116 I CA 1.557 63.027 61.300 0.283 0.000 1.343 116 I CB -0.461 37.629 38.000 0.149 0.000 1.046 116 I HN 0.277 nan 8.210 nan 0.000 0.405 117 R N 0.834 121.407 120.500 0.123 0.000 2.091 117 R HA -0.171 4.170 4.340 0.001 0.000 0.238 117 R C 2.459 178.819 176.300 0.100 0.000 1.136 117 R CA 1.616 57.783 56.100 0.110 0.000 0.959 117 R CB -0.539 29.843 30.300 0.138 0.000 0.856 117 R HN 0.407 nan 8.270 nan 0.000 0.437 118 A N 0.502 123.430 122.820 0.180 0.000 1.933 118 A HA -0.150 4.170 4.320 0.001 0.000 0.218 118 A C 1.844 179.351 177.584 -0.128 0.000 1.175 118 A CA 1.211 53.245 52.037 -0.006 0.000 0.628 118 A CB -0.543 18.491 19.000 0.057 0.000 0.814 118 A HN 0.203 nan 8.150 nan 0.000 0.444 119 F N 0.160 120.124 119.950 0.023 0.000 2.234 119 F HA -0.038 4.490 4.527 0.001 0.000 0.299 119 F C 2.049 177.819 175.800 -0.051 0.000 1.087 119 F CA 1.441 59.425 58.000 -0.026 0.000 1.340 119 F CB -0.171 38.822 39.000 -0.013 0.000 1.031 119 F HN 0.121 nan 8.300 nan 0.000 0.500 120 K N -0.246 120.231 120.400 0.128 0.000 2.555 120 K HA 0.122 4.442 4.320 0.001 0.000 0.193 120 K C 1.250 177.835 176.600 -0.027 0.000 1.032 120 K CA 0.596 56.907 56.287 0.041 0.000 1.004 120 K CB -0.154 32.361 32.500 0.025 0.000 0.804 120 K HN 0.170 nan 8.250 nan 0.000 0.496 121 A N 0.205 122.988 122.820 -0.062 0.000 2.535 121 A HA 0.321 4.641 4.320 0.001 0.000 0.273 121 A C 0.972 178.498 177.584 -0.096 0.000 1.267 121 A CA 0.221 52.184 52.037 -0.125 0.000 0.940 121 A CB 0.134 18.986 19.000 -0.246 0.000 1.101 121 A HN 0.269 nan 8.150 nan 0.000 0.521 122 G N 0.510 109.283 108.800 -0.045 0.000 2.273 122 G HA2 -0.239 3.721 3.960 0.001 0.000 0.280 122 G HA3 -0.239 3.721 3.960 0.001 0.000 0.280 122 G C -0.075 174.779 174.900 -0.078 0.000 1.047 122 G CA 0.678 45.752 45.100 -0.043 0.000 0.869 122 G HN 0.414 nan 8.290 nan 0.000 0.502 123 K N -0.392 119.950 120.400 -0.096 0.000 2.281 123 K HA 0.583 4.904 4.320 0.001 0.000 0.242 123 K C 0.009 176.510 176.600 -0.165 0.000 0.971 123 K CA -1.009 55.200 56.287 -0.129 0.000 0.834 123 K CB 1.090 33.495 32.500 -0.158 0.000 1.181 123 K HN 0.369 nan 8.250 nan 0.000 0.435 124 H N -0.715 118.328 119.070 -0.044 0.000 2.551 124 H HA 0.373 4.930 4.556 0.001 0.000 0.358 124 H C -0.332 174.926 175.328 -0.117 0.000 1.151 124 H CA -0.283 55.790 56.048 0.042 0.000 1.374 124 H CB 1.039 30.887 29.762 0.142 0.000 1.473 124 H HN 0.042 nan 8.280 nan 0.000 0.574 125 V N 2.881 122.803 119.914 0.014 0.000 2.588 125 V HA 0.235 4.356 4.120 0.001 0.000 0.304 125 V C -0.562 175.558 176.094 0.043 0.000 1.042 125 V CA -0.831 61.401 62.300 -0.112 0.000 0.877 125 V CB 1.622 33.152 31.823 -0.488 0.000 0.996 125 V HN 0.645 nan 8.190 nan 0.000 0.425 126 M N 5.877 125.467 119.600 -0.017 0.000 2.078 126 M HA 0.622 5.103 4.480 0.001 0.000 0.320 126 M C -1.130 174.985 176.300 -0.309 0.000 0.969 126 M CA 0.062 55.254 55.300 -0.179 0.000 0.929 126 M CB 1.027 33.447 32.600 -0.300 0.000 1.504 126 M HN 0.750 nan 8.290 nan 0.000 0.419 127 C N 5.244 124.409 119.300 -0.224 0.000 2.369 127 C HA 0.609 5.069 4.460 0.001 0.000 0.322 127 C C -0.069 174.807 174.990 -0.191 0.000 1.258 127 C CA -0.555 58.334 59.018 -0.215 0.000 1.487 127 C CB 0.973 28.642 27.740 -0.118 0.000 2.165 127 C HN 0.895 nan 8.230 nan 0.000 0.483 128 E N 2.863 122.965 120.200 -0.163 0.000 2.422 128 E HA 0.124 4.474 4.350 0.001 0.000 0.260 128 E C -0.049 176.569 176.600 0.030 0.000 1.108 128 E CA 0.300 56.699 56.400 -0.001 0.000 0.943 128 E CB 0.710 30.503 29.700 0.155 0.000 0.961 128 E HN 0.761 nan 8.360 nan 0.000 0.443 129 K N 1.927 122.276 120.400 -0.086 0.000 2.185 129 K HA 0.385 4.706 4.320 0.001 0.000 0.271 129 K C -2.251 174.344 176.600 -0.009 0.000 1.013 129 K CA -1.477 54.706 56.287 -0.173 0.000 0.943 129 K CB -0.002 32.179 32.500 -0.533 0.000 0.998 129 K HN 0.141 nan 8.250 nan 0.000 0.468 130 P HA -0.025 nan 4.420 nan 0.000 0.279 130 P C 0.385 177.712 177.300 0.044 0.000 1.239 130 P CA -0.515 62.562 63.100 -0.039 0.000 0.789 130 P CB 1.274 32.951 31.700 -0.038 0.000 0.933 131 M N 2.583 122.221 119.600 0.063 0.000 2.204 131 M HA -0.229 4.251 4.480 0.001 0.000 0.255 131 M C 0.406 176.802 176.300 0.161 0.000 1.073 131 M CA 2.570 57.953 55.300 0.139 0.000 1.084 131 M CB -0.315 32.350 32.600 0.108 0.000 1.289 131 M HN 0.561 nan 8.290 nan 0.000 0.419 132 A N -2.005 120.844 122.820 0.048 0.000 2.588 132 A HA 0.478 4.798 4.320 0.001 0.000 0.290 132 A C 0.478 178.041 177.584 -0.034 0.000 1.136 132 A CA -0.047 51.991 52.037 0.001 0.000 0.681 132 A CB 0.362 19.386 19.000 0.039 0.000 1.282 132 A HN 0.440 nan 8.150 nan 0.000 0.421 133 T N -1.345 113.185 114.554 -0.040 0.000 3.148 133 T HA 0.345 4.695 4.350 0.001 0.000 0.253 133 T C 0.626 175.328 174.700 0.004 0.000 1.134 133 T CA 0.896 62.986 62.100 -0.017 0.000 1.051 133 T CB -0.731 68.125 68.868 -0.020 0.000 0.959 133 T HN 1.802 nan 8.240 nan 0.000 0.525 134 S N -0.632 115.067 115.700 -0.002 0.000 2.541 134 S HA 0.495 4.966 4.470 0.001 0.000 0.271 134 S C 0.639 175.228 174.600 -0.018 0.000 1.133 134 S CA -0.715 57.482 58.200 -0.005 0.000 0.876 134 S CB 1.770 64.966 63.200 -0.006 0.000 1.105 134 S HN -0.112 nan 8.310 nan 0.000 0.470 135 V N 2.044 121.936 119.914 -0.036 0.000 2.568 135 V HA -0.125 3.995 4.120 0.001 0.000 0.253 135 V C 2.883 178.944 176.094 -0.055 0.000 1.072 135 V CA 2.446 64.707 62.300 -0.065 0.000 1.084 135 V CB -1.647 30.109 31.823 -0.111 0.000 0.676 135 V HN 1.001 nan 8.190 nan 0.000 0.469 136 A N 0.215 123.011 122.820 -0.040 0.000 1.858 136 A HA -0.239 4.082 4.320 0.001 0.000 0.216 136 A C 2.025 179.600 177.584 -0.016 0.000 1.190 136 A CA 1.947 53.965 52.037 -0.031 0.000 0.617 136 A CB -0.652 18.334 19.000 -0.024 0.000 0.827 136 A HN 0.512 nan 8.150 nan 0.000 0.443 137 D N -0.402 119.996 120.400 -0.003 0.000 2.218 137 D HA -0.120 4.520 4.640 0.001 0.000 0.204 137 D C 1.978 178.294 176.300 0.026 0.000 0.976 137 D CA 1.237 55.246 54.000 0.016 0.000 0.853 137 D CB -0.593 40.221 40.800 0.024 0.000 0.939 137 D HN 0.462 nan 8.370 nan 0.000 0.481 138 C N 0.342 119.651 119.300 0.015 0.000 2.429 138 C HA -0.114 4.346 4.460 0.001 0.000 0.277 138 C C 2.717 177.715 174.990 0.013 0.000 1.262 138 C CA 0.363 59.396 59.018 0.025 0.000 1.733 138 C CB -0.737 27.006 27.740 0.005 0.000 2.010 138 C HN 0.296 nan 8.230 nan 0.000 0.483 139 Q N 1.015 120.809 119.800 -0.010 0.000 2.079 139 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 139 Q C 2.324 178.315 176.000 -0.015 0.000 0.974 139 Q CA 1.621 57.412 55.803 -0.020 0.000 0.840 139 Q CB -0.342 28.376 28.738 -0.033 0.000 0.898 139 Q HN 0.542 nan 8.270 nan 0.000 0.430 140 R N -0.795 119.702 120.500 -0.004 0.000 2.105 140 R HA -0.129 4.211 4.340 0.001 0.000 0.239 140 R C 2.341 178.645 176.300 0.007 0.000 1.135 140 R CA 1.824 57.925 56.100 0.000 0.000 0.967 140 R CB -0.287 30.022 30.300 0.014 0.000 0.861 140 R HN 0.376 nan 8.270 nan 0.000 0.442 141 M N -0.117 119.504 119.600 0.035 0.000 2.099 141 M HA -0.127 4.353 4.480 0.001 0.000 0.262 141 M C 2.231 178.508 176.300 -0.039 0.000 1.067 141 M CA 1.623 56.965 55.300 0.071 0.000 1.124 141 M CB -0.202 32.480 32.600 0.136 0.000 1.353 141 M HN 0.091 nan 8.290 nan 0.000 0.410 142 I N 0.253 120.803 120.570 -0.033 0.000 2.179 142 I HA -0.315 3.855 4.170 0.001 0.000 0.242 142 I C 1.927 177.963 176.117 -0.136 0.000 1.088 142 I CA 1.172 62.427 61.300 -0.075 0.000 1.357 142 I CB -0.628 37.357 38.000 -0.025 0.000 1.051 142 I HN 0.298 nan 8.210 nan 0.000 0.409 143 D N 1.190 121.530 120.400 -0.099 0.000 2.097 143 D HA -0.158 4.482 4.640 0.001 0.000 0.195 143 D C 2.286 178.491 176.300 -0.158 0.000 0.989 143 D CA 1.646 55.584 54.000 -0.102 0.000 0.827 143 D CB -0.249 40.513 40.800 -0.062 0.000 0.966 143 D HN 0.336 nan 8.370 nan 0.000 0.456 144 A N 1.273 123.994 122.820 -0.164 0.000 1.917 144 A HA -0.171 4.150 4.320 0.001 0.000 0.219 144 A C 2.324 179.622 177.584 -0.476 0.000 1.182 144 A CA 2.612 54.531 52.037 -0.197 0.000 0.633 144 A CB -0.677 18.287 19.000 -0.061 0.000 0.819 144 A HN 0.274 nan 8.150 nan 0.000 0.448 145 A N -0.695 121.631 122.820 -0.824 0.000 1.929 145 A HA -0.069 4.251 4.320 0.001 0.000 0.216 145 A C 2.078 179.372 177.584 -0.485 0.000 1.176 145 A CA 1.624 52.947 52.037 -1.189 0.000 0.628 145 A CB -0.352 17.936 19.000 -1.186 0.000 0.816 145 A HN 0.530 nan 8.150 nan 0.000 0.444 146 K N -0.073 120.149 120.400 -0.296 0.000 2.147 146 K HA -0.051 4.269 4.320 0.001 0.000 0.205 146 K C 2.246 178.767 176.600 -0.132 0.000 1.049 146 K CA 0.987 57.178 56.287 -0.160 0.000 0.936 146 K CB -0.291 32.143 32.500 -0.110 0.000 0.722 146 K HN 0.460 nan 8.250 nan 0.000 0.446 147 A N 1.538 124.270 122.820 -0.147 0.000 1.828 147 A HA -0.099 4.222 4.320 0.001 0.000 0.215 147 A C 2.252 179.788 177.584 -0.080 0.000 1.203 147 A CA 1.851 53.830 52.037 -0.096 0.000 0.614 147 A CB -0.915 18.034 19.000 -0.084 0.000 0.844 147 A HN 0.319 nan 8.150 nan 0.000 0.445 148 A N -0.923 121.843 122.820 -0.089 0.000 2.264 148 A HA 0.077 4.397 4.320 0.001 0.000 0.207 148 A C 0.881 178.433 177.584 -0.052 0.000 1.196 148 A CA 0.916 52.928 52.037 -0.042 0.000 0.778 148 A CB -1.284 17.734 19.000 0.029 0.000 0.779 148 A HN 0.848 nan 8.150 nan 0.000 0.483 149 N N -1.107 117.549 118.700 -0.074 0.000 2.725 149 N HA -0.158 4.582 4.740 0.001 0.000 0.251 149 N C -0.928 174.545 175.510 -0.061 0.000 1.031 149 N CA 0.512 53.530 53.050 -0.054 0.000 0.720 149 N CB -0.469 38.001 38.487 -0.028 0.000 0.930 149 N HN 0.306 nan 8.380 nan 0.000 0.543 150 K N 0.900 121.248 120.400 -0.087 0.000 2.395 150 K HA 0.393 4.713 4.320 0.001 0.000 0.247 150 K C -0.182 176.463 176.600 0.074 0.000 0.973 150 K CA -0.693 55.510 56.287 -0.141 0.000 0.828 150 K CB 1.328 33.761 32.500 -0.113 0.000 1.272 150 K HN 0.073 nan 8.250 nan 0.000 0.439 151 K N 1.454 122.043 120.400 0.315 0.000 2.237 151 K HA 0.321 4.642 4.320 0.001 0.000 0.270 151 K C -0.010 176.845 176.600 0.426 0.000 1.015 151 K CA -0.484 56.026 56.287 0.372 0.000 0.949 151 K CB 0.794 33.538 32.500 0.406 0.000 0.976 151 K HN 0.460 nan 8.250 nan 0.000 0.472 152 L N 3.563 124.976 121.223 0.316 0.000 2.356 152 L HA 0.470 4.810 4.340 0.001 0.000 0.277 152 L C -1.150 175.869 176.870 0.247 0.000 0.996 152 L CA -0.593 54.469 54.840 0.370 0.000 0.822 152 L CB 1.481 43.724 42.059 0.307 0.000 1.256 152 L HN 0.663 nan 8.230 nan 0.000 0.413 153 M N 5.424 125.150 119.600 0.210 0.000 2.393 153 M HA 0.495 4.975 4.480 0.001 0.000 0.299 153 M C -1.585 174.792 176.300 0.129 0.000 1.103 153 M CA -0.712 54.698 55.300 0.184 0.000 0.910 153 M CB 2.022 34.723 32.600 0.169 0.000 1.659 153 M HN 0.355 nan 8.290 nan 0.000 0.445 154 I N 3.264 123.948 120.570 0.191 0.000 2.385 154 I HA 0.316 4.487 4.170 0.001 0.000 0.294 154 I C 1.073 177.241 176.117 0.086 0.000 0.988 154 I CA -0.493 60.874 61.300 0.112 0.000 1.265 154 I CB 0.994 39.111 38.000 0.194 0.000 1.388 154 I HN 0.921 nan 8.210 nan 0.000 0.480 155 G N 6.404 115.160 108.800 -0.074 0.000 2.924 155 G HA2 0.039 4.000 3.960 0.001 0.000 0.273 155 G HA3 0.039 4.000 3.960 0.001 0.000 0.273 155 G C -0.492 174.384 174.900 -0.040 0.000 0.734 155 G CA -0.017 45.085 45.100 0.003 0.000 2.065 155 G HN 0.466 nan 8.290 nan 0.000 0.580 156 Y N 1.248 121.624 120.300 0.127 0.000 2.804 156 Y HA 0.184 4.734 4.550 0.000 0.000 0.330 156 Y C 1.989 177.941 175.900 0.087 0.000 1.092 156 Y CA -1.062 57.003 58.100 -0.059 0.000 1.315 156 Y CB 0.665 38.755 38.460 -0.617 0.000 1.188 156 Y HN 0.598 nan 8.280 nan 0.000 0.512 157 R N -0.995 119.690 120.500 0.310 0.000 2.096 157 R HA -0.146 4.194 4.340 0.001 0.000 0.235 157 R C 1.385 177.788 176.300 0.171 0.000 1.127 157 R CA 1.799 58.077 56.100 0.297 0.000 0.968 157 R CB -1.167 29.239 30.300 0.177 0.000 0.861 157 R HN 0.530 nan 8.270 nan 0.000 0.440 158 C N 1.019 120.407 119.300 0.146 0.000 2.409 158 C HA -0.058 4.402 4.460 0.001 0.000 0.288 158 C C 2.026 176.988 174.990 -0.047 0.000 1.395 158 C CA 0.647 59.722 59.018 0.096 0.000 1.792 158 C CB -1.614 26.290 27.740 0.272 0.000 1.847 158 C HN 0.557 nan 8.230 nan 0.000 0.534 159 H N -2.384 116.522 119.070 -0.273 0.000 2.559 159 H HA -0.052 4.504 4.556 0.000 0.000 0.273 159 H C 0.831 175.518 175.328 -1.068 0.000 1.000 159 H CA 0.854 56.464 56.048 -0.730 0.000 1.195 159 H CB 0.174 29.458 29.762 -0.797 0.000 1.368 159 H HN 0.605 nan 8.280 nan 0.000 0.592 160 Y N -0.859 119.448 120.300 0.011 0.000 2.626 160 Y HA 0.104 4.654 4.550 0.000 0.000 0.248 160 Y C -0.032 175.833 175.900 -0.057 0.000 1.147 160 Y CA -0.755 57.316 58.100 -0.048 0.000 1.219 160 Y CB 0.472 38.907 38.460 -0.042 0.000 1.279 160 Y HN 0.024 nan 8.280 nan 0.000 0.541 161 D N 1.741 122.137 120.400 -0.006 0.000 2.325 161 D HA 0.157 4.798 4.640 0.001 0.000 0.251 161 D C -1.886 174.406 176.300 -0.013 0.000 1.196 161 D CA -2.053 51.936 54.000 -0.019 0.000 0.866 161 D CB 1.477 42.259 40.800 -0.029 0.000 1.101 161 D HN -0.072 nan 8.370 nan 0.000 0.476 162 P HA -0.245 nan 4.420 nan 0.000 0.218 162 P C 1.485 178.790 177.300 0.009 0.000 1.154 162 P CA 1.412 64.516 63.100 0.008 0.000 0.872 162 P CB 0.073 31.784 31.700 0.018 0.000 0.790 163 M N -1.599 118.008 119.600 0.013 0.000 2.099 163 M HA -0.114 4.367 4.480 0.001 0.000 0.262 163 M C 1.859 178.183 176.300 0.039 0.000 1.067 163 M CA 1.562 56.875 55.300 0.022 0.000 1.124 163 M CB -1.794 30.816 32.600 0.017 0.000 1.353 163 M HN 0.034 nan 8.290 nan 0.000 0.410 164 N N 0.084 118.813 118.700 0.047 0.000 2.166 164 N HA -0.133 4.607 4.740 0.001 0.000 0.186 164 N C 1.688 177.230 175.510 0.055 0.000 1.019 164 N CA 0.991 54.102 53.050 0.103 0.000 0.856 164 N CB -0.049 38.505 38.487 0.111 0.000 0.993 164 N HN 0.235 nan 8.380 nan 0.000 0.426 165 R N 1.073 121.565 120.500 -0.013 0.000 2.092 165 R HA 0.054 4.394 4.340 0.001 0.000 0.231 165 R C 2.057 178.357 176.300 0.001 0.000 1.119 165 R CA 0.725 56.801 56.100 -0.039 0.000 0.970 165 R CB -1.100 29.165 30.300 -0.058 0.000 0.864 165 R HN 0.207 nan 8.270 nan 0.000 0.440 166 A N 1.165 123.994 122.820 0.015 0.000 1.930 166 A HA 0.003 4.323 4.320 0.001 0.000 0.217 166 A C 2.369 179.972 177.584 0.031 0.000 1.175 166 A CA 1.649 53.699 52.037 0.020 0.000 0.627 166 A CB -0.566 18.446 19.000 0.020 0.000 0.815 166 A HN 0.307 nan 8.150 nan 0.000 0.443 167 A N -0.406 122.446 122.820 0.053 0.000 1.877 167 A HA -0.040 4.280 4.320 0.001 0.000 0.216 167 A C 2.220 179.839 177.584 0.060 0.000 1.186 167 A CA 1.857 53.932 52.037 0.064 0.000 0.620 167 A CB -1.070 17.993 19.000 0.106 0.000 0.822 167 A HN 0.409 nan 8.150 nan 0.000 0.443 168 V N 0.366 120.330 119.914 0.084 0.000 2.332 168 V HA -0.309 3.812 4.120 0.001 0.000 0.248 168 V C 2.579 178.691 176.094 0.029 0.000 1.055 168 V CA 2.575 64.918 62.300 0.073 0.000 1.038 168 V CB -0.706 31.162 31.823 0.076 0.000 0.651 168 V HN 0.753 nan 8.190 nan 0.000 0.450 169 K N 0.642 121.053 120.400 0.018 0.000 2.025 169 K HA -0.184 4.137 4.320 0.001 0.000 0.207 169 K C 2.092 178.696 176.600 0.006 0.000 1.049 169 K CA 1.854 58.146 56.287 0.008 0.000 0.933 169 K CB -0.306 32.197 32.500 0.006 0.000 0.714 169 K HN 0.511 nan 8.250 nan 0.000 0.438 170 L N -0.469 120.759 121.223 0.008 0.000 2.131 170 L HA -0.018 4.322 4.340 0.001 0.000 0.210 170 L C 1.974 178.841 176.870 -0.005 0.000 1.092 170 L CA 1.495 56.337 54.840 0.003 0.000 0.759 170 L CB -0.537 41.526 42.059 0.006 0.000 0.903 170 L HN 0.114 nan 8.230 nan 0.000 0.435 171 I N -0.534 120.031 120.570 -0.007 0.000 2.233 171 I HA -0.159 4.012 4.170 0.001 0.000 0.243 171 I C 2.543 178.646 176.117 -0.024 0.000 1.093 171 I CA 0.780 62.066 61.300 -0.023 0.000 1.380 171 I CB -0.225 37.755 38.000 -0.034 0.000 1.067 171 I HN 0.195 nan 8.210 nan 0.000 0.413 172 R N 1.175 121.666 120.500 -0.015 0.000 2.241 172 R HA -0.100 4.241 4.340 0.001 0.000 0.224 172 R C 1.297 177.590 176.300 -0.011 0.000 1.101 172 R CA 0.835 56.928 56.100 -0.013 0.000 0.995 172 R CB -0.486 29.812 30.300 -0.003 0.000 0.870 172 R HN 0.460 nan 8.270 nan 0.000 0.463 173 E N -0.336 119.859 120.200 -0.009 0.000 2.419 173 E HA 0.041 4.392 4.350 0.001 0.000 0.190 173 E C -0.261 176.332 176.600 -0.011 0.000 1.040 173 E CA -0.216 56.179 56.400 -0.007 0.000 0.900 173 E CB -0.064 29.634 29.700 -0.003 0.000 1.054 173 E HN 0.170 nan 8.360 nan 0.000 0.462 174 N N 1.540 120.230 118.700 -0.018 0.000 2.714 174 N HA -0.254 4.486 4.740 0.001 0.000 0.250 174 N C 0.707 176.204 175.510 -0.022 0.000 1.117 174 N CA 0.721 53.758 53.050 -0.022 0.000 0.719 174 N CB -0.751 37.724 38.487 -0.020 0.000 1.081 174 N HN 0.289 nan 8.380 nan 0.000 0.557 175 Q N -0.572 119.216 119.800 -0.019 0.000 2.230 175 Q HA -0.001 4.340 4.340 0.001 0.000 0.202 175 Q C 1.514 177.497 176.000 -0.028 0.000 0.963 175 Q CA 1.048 56.839 55.803 -0.019 0.000 0.866 175 Q CB 0.151 28.882 28.738 -0.011 0.000 0.931 175 Q HN 0.622 nan 8.270 nan 0.000 0.452 176 L N -0.848 120.355 121.223 -0.033 0.000 2.529 176 L HA 0.166 4.506 4.340 0.001 0.000 0.223 176 L C 1.117 177.960 176.870 -0.044 0.000 1.113 176 L CA 0.365 55.181 54.840 -0.041 0.000 0.861 176 L CB -0.144 41.888 42.059 -0.045 0.000 1.012 176 L HN 0.283 nan 8.230 nan 0.000 0.461 177 G N 0.926 109.701 108.800 -0.041 0.000 2.542 177 G HA2 -0.282 3.678 3.960 0.001 0.000 0.235 177 G HA3 -0.282 3.678 3.960 0.001 0.000 0.235 177 G C -0.233 174.640 174.900 -0.046 0.000 1.286 177 G CA -0.446 44.630 45.100 -0.040 0.000 0.904 177 G HN 0.123 nan 8.290 nan 0.000 0.577 178 K N 0.616 120.990 120.400 -0.043 0.000 2.379 178 K HA 0.382 4.702 4.320 0.001 0.000 0.284 178 K C 0.738 177.302 176.600 -0.059 0.000 1.044 178 K CA -0.322 55.936 56.287 -0.049 0.000 0.974 178 K CB -0.107 32.370 32.500 -0.039 0.000 0.962 178 K HN 0.425 nan 8.250 nan 0.000 0.474 179 L N 3.309 124.485 121.223 -0.079 0.000 2.380 179 L HA 0.170 4.511 4.340 0.001 0.000 0.273 179 L C 1.332 178.150 176.870 -0.087 0.000 1.138 179 L CA -0.036 54.744 54.840 -0.099 0.000 0.832 179 L CB 0.977 42.946 42.059 -0.150 0.000 1.124 179 L HN 0.955 nan 8.230 nan 0.000 0.454 180 G N 2.776 111.531 108.800 -0.075 0.000 2.599 180 G HA2 0.244 4.205 3.960 0.001 0.000 0.196 180 G HA3 0.244 4.205 3.960 0.001 0.000 0.196 180 G C -0.218 174.660 174.900 -0.036 0.000 1.148 180 G CA 0.052 45.123 45.100 -0.048 0.000 0.809 180 G HN 0.431 nan 8.290 nan 0.000 0.764 181 M N 1.763 121.334 119.600 -0.049 0.000 2.206 181 M HA 0.634 5.115 4.480 0.001 0.000 0.272 181 M C -1.970 174.289 176.300 -0.070 0.000 1.012 181 M CA -0.684 54.602 55.300 -0.024 0.000 0.986 181 M CB 2.150 34.759 32.600 0.015 0.000 1.740 181 M HN -0.172 nan 8.290 nan 0.000 0.472 182 V N 3.880 123.735 119.914 -0.099 0.000 2.495 182 V HA 0.804 4.924 4.120 0.001 0.000 0.298 182 V C -0.370 175.574 176.094 -0.251 0.000 1.031 182 V CA -0.447 61.750 62.300 -0.171 0.000 0.871 182 V CB 2.166 33.853 31.823 -0.226 0.000 0.988 182 V HN 0.878 nan 8.190 nan 0.000 0.432 183 T N 2.956 117.334 114.554 -0.294 0.000 2.848 183 T HA 0.716 5.067 4.350 0.001 0.000 0.285 183 T C -0.191 174.358 174.700 -0.252 0.000 0.995 183 T CA -0.586 61.237 62.100 -0.461 0.000 0.970 183 T CB 1.737 70.325 68.868 -0.467 0.000 0.976 183 T HN 0.920 nan 8.240 nan 0.000 0.441 184 T N -0.170 114.226 114.554 -0.263 0.000 2.903 184 T HA 0.739 5.089 4.350 0.001 0.000 0.299 184 T C -1.906 172.750 174.700 -0.074 0.000 1.093 184 T CA -0.837 61.244 62.100 -0.032 0.000 1.002 184 T CB 2.273 71.101 68.868 -0.066 0.000 1.127 184 T HN 0.413 nan 8.240 nan 0.000 0.488 185 D N 1.676 122.119 120.400 0.072 0.000 2.966 185 D HA 0.380 5.020 4.640 0.001 0.000 0.222 185 D C -1.382 174.965 176.300 0.077 0.000 1.292 185 D CA -0.475 53.532 54.000 0.011 0.000 0.907 185 D CB 2.134 42.918 40.800 -0.027 0.000 1.621 185 D HN 0.651 nan 8.370 nan 0.000 0.557 186 N N 0.416 119.176 118.700 0.099 0.000 2.430 186 N HA 0.565 5.306 4.740 0.001 0.000 0.290 186 N C -1.451 174.098 175.510 0.065 0.000 1.063 186 N CA -0.443 52.669 53.050 0.103 0.000 0.883 186 N CB 2.009 40.633 38.487 0.229 0.000 1.465 186 N HN 0.066 nan 8.380 nan 0.000 0.493 187 S N 0.724 116.444 115.700 0.032 0.000 2.550 187 S HA 0.620 5.090 4.470 0.001 0.000 0.270 187 S C -1.837 172.795 174.600 0.053 0.000 1.145 187 S CA -0.796 57.427 58.200 0.039 0.000 0.852 187 S CB 2.302 65.523 63.200 0.037 0.000 1.119 187 S HN 0.446 nan 8.310 nan 0.000 0.465 188 D N 0.715 121.178 120.400 0.104 0.000 2.706 188 D HA 0.285 4.925 4.640 0.001 0.000 0.225 188 D C -1.347 175.065 176.300 0.186 0.000 1.241 188 D CA -0.306 53.769 54.000 0.124 0.000 0.784 188 D CB 2.354 43.229 40.800 0.124 0.000 1.521 188 D HN 0.302 nan 8.370 nan 0.000 0.461 189 V N 3.042 123.037 119.914 0.135 0.000 2.405 189 V HA 0.174 4.295 4.120 0.001 0.000 0.264 189 V C 0.727 176.878 176.094 0.096 0.000 1.048 189 V CA -0.214 62.165 62.300 0.132 0.000 0.966 189 V CB 0.734 32.609 31.823 0.087 0.000 1.015 189 V HN 0.498 nan 8.190 nan 0.000 0.477 190 M N 5.399 125.049 119.600 0.085 0.000 2.188 190 M HA 0.181 4.662 4.480 0.001 0.000 0.354 190 M C 0.387 176.630 176.300 -0.095 0.000 1.342 190 M CA -0.071 55.181 55.300 -0.080 0.000 1.117 190 M CB 0.236 32.633 32.600 -0.339 0.000 1.670 190 M HN 0.761 nan 8.290 nan 0.000 0.466 191 D N 4.374 124.719 120.400 -0.092 0.000 2.730 191 D HA -0.154 4.487 4.640 0.001 0.000 0.225 191 D C -0.395 175.833 176.300 -0.121 0.000 1.107 191 D CA 0.614 54.565 54.000 -0.081 0.000 0.837 191 D CB 0.745 41.500 40.800 -0.074 0.000 1.171 191 D HN 0.805 nan 8.370 nan 0.000 0.498 192 Q N 2.244 121.986 119.800 -0.097 0.000 2.341 192 Q HA 0.228 4.568 4.340 0.001 0.000 0.325 192 Q C -0.893 175.048 176.000 -0.099 0.000 0.920 192 Q CA -0.670 55.059 55.803 -0.124 0.000 1.065 192 Q CB -0.139 28.538 28.738 -0.102 0.000 1.218 192 Q HN 0.154 nan 8.270 nan 0.000 0.434 193 N N 1.994 120.641 118.700 -0.089 0.000 2.524 193 N HA 0.123 4.863 4.740 0.001 0.000 0.261 193 N C -1.411 174.056 175.510 -0.072 0.000 0.998 193 N CA -0.248 52.761 53.050 -0.067 0.000 0.915 193 N CB 1.019 39.479 38.487 -0.046 0.000 1.187 193 N HN 0.175 nan 8.380 nan 0.000 0.507 194 D N 1.573 121.930 120.400 -0.073 0.000 2.803 194 D HA -0.145 4.496 4.640 0.001 0.000 0.233 194 D C -1.718 174.531 176.300 -0.085 0.000 1.182 194 D CA 0.137 54.096 54.000 -0.068 0.000 0.726 194 D CB -0.337 40.436 40.800 -0.045 0.000 0.987 194 D HN 0.436 nan 8.370 nan 0.000 0.412 195 P HA -0.137 nan 4.420 nan 0.000 0.219 195 P C 1.434 178.663 177.300 -0.118 0.000 1.146 195 P CA 1.671 64.677 63.100 -0.156 0.000 0.808 195 P CB 0.201 31.767 31.700 -0.223 0.000 0.779 196 A N -0.223 122.545 122.820 -0.087 0.000 2.186 196 A HA -0.213 4.107 4.320 0.001 0.000 0.219 196 A C 2.106 179.670 177.584 -0.033 0.000 1.159 196 A CA 1.212 53.216 52.037 -0.056 0.000 0.680 196 A CB -1.019 17.955 19.000 -0.043 0.000 0.787 196 A HN 0.204 nan 8.150 nan 0.000 0.467 197 Q N -0.409 119.368 119.800 -0.037 0.000 2.282 197 Q HA 0.103 4.444 4.340 0.001 0.000 0.206 197 Q C -0.278 175.720 176.000 -0.003 0.000 0.878 197 Q CA 0.040 55.837 55.803 -0.010 0.000 0.944 197 Q CB 0.201 28.932 28.738 -0.011 0.000 1.100 197 Q HN 0.761 nan 8.270 nan 0.000 0.509 198 Q N 0.427 120.200 119.800 -0.046 0.000 2.307 198 Q HA 0.110 4.451 4.340 0.001 0.000 0.262 198 Q C 0.425 176.390 176.000 -0.059 0.000 0.961 198 Q CA -0.642 55.105 55.803 -0.093 0.000 0.882 198 Q CB 0.715 29.329 28.738 -0.208 0.000 1.264 198 Q HN 0.411 nan 8.270 nan 0.000 0.446 199 W N 3.934 125.218 121.300 -0.027 0.000 2.611 199 W HA -0.058 4.603 4.660 0.001 0.000 0.251 199 W C 0.324 176.836 176.519 -0.012 0.000 1.265 199 W CA 0.318 57.651 57.345 -0.021 0.000 1.295 199 W CB -0.008 29.441 29.460 -0.018 0.000 1.129 199 W HN 0.592 nan 8.180 nan 0.000 0.630 200 R N 0.765 120.884 120.500 -0.637 0.000 2.240 200 R HA 0.102 4.442 4.340 0.001 0.000 0.203 200 R C 1.889 178.064 176.300 -0.209 0.000 1.011 200 R CA 0.543 56.301 56.100 -0.569 0.000 1.007 200 R CB -0.133 29.698 30.300 -0.781 0.000 0.911 200 R HN 0.280 nan 8.270 nan 0.000 0.468 201 L N 0.416 121.525 121.223 -0.189 0.000 2.607 201 L HA 0.173 4.513 4.340 0.001 0.000 0.228 201 L C 0.210 177.061 176.870 -0.032 0.000 1.123 201 L CA 0.040 54.809 54.840 -0.119 0.000 0.890 201 L CB 0.226 42.170 42.059 -0.192 0.000 1.103 201 L HN -0.105 nan 8.230 nan 0.000 0.468 202 R N 0.512 121.023 120.500 0.019 0.000 2.288 202 R HA 0.232 4.572 4.340 0.001 0.000 0.326 202 R C 0.696 177.037 176.300 0.068 0.000 0.959 202 R CA -0.365 55.761 56.100 0.045 0.000 0.834 202 R CB 1.543 31.884 30.300 0.067 0.000 1.157 202 R HN 0.060 nan 8.270 nan 0.000 0.470 203 R N 1.985 122.508 120.500 0.039 0.000 2.133 203 R HA -0.223 4.118 4.340 0.001 0.000 0.247 203 R C 1.411 177.733 176.300 0.038 0.000 1.151 203 R CA 1.994 58.113 56.100 0.031 0.000 0.971 203 R CB 0.194 30.492 30.300 -0.002 0.000 0.866 203 R HN 0.621 nan 8.270 nan 0.000 0.447 204 E N -0.375 119.846 120.200 0.035 0.000 2.285 204 E HA -0.096 4.255 4.350 0.001 0.000 0.194 204 E C 1.632 178.254 176.600 0.037 0.000 0.997 204 E CA 0.631 57.047 56.400 0.027 0.000 0.845 204 E CB 0.189 29.899 29.700 0.018 0.000 0.782 204 E HN 0.414 nan 8.360 nan 0.000 0.491 205 L N -0.821 120.449 121.223 0.078 0.000 2.253 205 L HA 0.178 4.518 4.340 0.001 0.000 0.205 205 L C 2.330 179.302 176.870 0.170 0.000 1.078 205 L CA 0.723 55.621 54.840 0.098 0.000 0.805 205 L CB -0.040 42.124 42.059 0.175 0.000 0.963 205 L HN 0.059 nan 8.230 nan 0.000 0.459 206 A N -0.372 122.599 122.820 0.251 0.000 1.997 206 A HA 0.328 4.648 4.320 0.001 0.000 0.212 206 A C 1.836 179.517 177.584 0.162 0.000 1.178 206 A CA 0.883 53.106 52.037 0.310 0.000 0.698 206 A CB -0.231 18.942 19.000 0.288 0.000 0.842 206 A HN 0.456 nan 8.150 nan 0.000 0.458 207 G N -2.319 106.543 108.800 0.103 0.000 2.162 207 G HA2 0.280 4.240 3.960 0.001 0.000 0.260 207 G HA3 0.280 4.240 3.960 0.001 0.000 0.260 207 G C 0.950 175.912 174.900 0.103 0.000 0.976 207 G CA 0.618 45.762 45.100 0.074 0.000 0.655 207 G HN 2.234 nan 8.290 nan 0.000 0.533 208 G N -2.467 106.397 108.800 0.107 0.000 2.339 208 G HA2 0.621 4.582 3.960 0.001 0.000 0.302 208 G HA3 0.621 4.582 3.960 0.001 0.000 0.302 208 G C 0.493 175.501 174.900 0.180 0.000 1.425 208 G CA 0.718 45.889 45.100 0.118 0.000 0.899 208 G HN 1.508 nan 8.290 nan 0.000 0.619 209 G N -0.397 108.520 108.800 0.196 0.000 3.022 209 G HA2 0.484 4.444 3.960 0.001 0.000 0.157 209 G HA3 0.484 4.444 3.960 0.001 0.000 0.157 209 G C 2.008 176.975 174.900 0.112 0.000 1.691 209 G CA 1.656 46.930 45.100 0.290 0.000 1.079 209 G HN 1.913 nan 8.290 nan 0.000 0.549 210 S N -0.428 115.085 115.700 -0.312 0.000 2.400 210 S HA -0.153 4.318 4.470 0.001 0.000 0.232 210 S C 2.359 176.783 174.600 -0.293 0.000 1.025 210 S CA 1.608 59.301 58.200 -0.844 0.000 0.993 210 S CB -0.401 62.312 63.200 -0.813 0.000 0.808 210 S HN 0.369 nan 8.310 nan 0.000 0.478 211 L N 0.938 122.098 121.223 -0.106 0.000 2.046 211 L HA 0.069 4.410 4.340 0.001 0.000 0.208 211 L C 2.499 179.263 176.870 -0.176 0.000 1.077 211 L CA 1.841 56.578 54.840 -0.172 0.000 0.747 211 L CB -0.787 41.090 42.059 -0.302 0.000 0.896 211 L HN 0.257 nan 8.230 nan 0.000 0.432 212 M N -0.955 118.616 119.600 -0.049 0.000 2.175 212 M HA -0.164 4.316 4.480 0.001 0.000 0.264 212 M C 1.988 178.273 176.300 -0.024 0.000 1.063 212 M CA 1.794 57.082 55.300 -0.020 0.000 1.119 212 M CB -1.068 31.592 32.600 0.100 0.000 1.377 212 M HN 0.400 nan 8.290 nan 0.000 0.415 213 D N 0.093 120.491 120.400 -0.003 0.000 2.120 213 D HA -0.043 4.597 4.640 0.001 0.000 0.202 213 D C 1.744 178.043 176.300 -0.002 0.000 0.972 213 D CA 1.164 55.182 54.000 0.029 0.000 0.837 213 D CB 0.324 41.194 40.800 0.116 0.000 0.989 213 D HN 0.490 nan 8.370 nan 0.000 0.469 214 I N -4.908 115.653 120.570 -0.015 0.000 4.774 214 I HA 0.470 4.641 4.170 0.001 0.000 0.330 214 I C 1.990 178.236 176.117 0.215 0.000 1.287 214 I CA 0.029 61.427 61.300 0.163 0.000 1.311 214 I CB 0.083 38.198 38.000 0.191 0.000 1.315 214 I HN -0.037 nan 8.210 nan 0.000 0.459 215 G N 2.318 111.177 108.800 0.099 0.000 2.448 215 G HA2 -0.174 3.786 3.960 0.001 0.000 0.219 215 G HA3 -0.174 3.786 3.960 0.001 0.000 0.219 215 G C 1.582 176.560 174.900 0.129 0.000 1.127 215 G CA 0.920 46.172 45.100 0.253 0.000 0.766 215 G HN 0.502 nan 8.290 nan 0.000 0.552 216 I N -0.724 119.802 120.570 -0.072 0.000 2.530 216 I HA -0.222 3.948 4.170 0.001 0.000 0.257 216 I C 2.156 178.285 176.117 0.019 0.000 1.179 216 I CA 1.098 62.325 61.300 -0.121 0.000 1.440 216 I CB 0.012 37.904 38.000 -0.182 0.000 1.087 216 I HN 0.231 nan 8.210 nan 0.000 0.440 217 Y N 0.769 121.182 120.300 0.189 0.000 2.242 217 Y HA -0.084 4.467 4.550 0.001 0.000 0.291 217 Y C 2.560 178.631 175.900 0.285 0.000 1.137 217 Y CA 1.436 59.711 58.100 0.290 0.000 1.181 217 Y CB -1.102 37.545 38.460 0.313 0.000 0.989 217 Y HN 0.185 nan 8.280 nan 0.000 0.527 218 G N -0.402 108.664 108.800 0.442 0.000 2.404 218 G HA2 -0.222 3.738 3.960 0.001 0.000 0.215 218 G HA3 -0.222 3.738 3.960 0.001 0.000 0.215 218 G C 1.660 176.618 174.900 0.096 0.000 1.174 218 G CA 0.897 46.136 45.100 0.232 0.000 0.780 218 G HN 0.313 nan 8.290 nan 0.000 0.537 219 L N 1.309 122.653 121.223 0.202 0.000 1.989 219 L HA -0.083 4.257 4.340 0.001 0.000 0.211 219 L C 2.280 179.151 176.870 0.001 0.000 1.071 219 L CA 2.344 57.224 54.840 0.068 0.000 0.749 219 L CB -0.858 41.106 42.059 -0.158 0.000 0.890 219 L HN 0.260 nan 8.230 nan 0.000 0.431 220 N N -0.471 118.246 118.700 0.028 0.000 2.120 220 N HA -0.167 4.574 4.740 0.001 0.000 0.188 220 N C 1.770 177.219 175.510 -0.102 0.000 1.024 220 N CA 1.512 54.596 53.050 0.056 0.000 0.852 220 N CB -0.232 38.345 38.487 0.151 0.000 1.003 220 N HN 0.552 nan 8.380 nan 0.000 0.424 221 G N -0.224 108.379 108.800 -0.330 0.000 2.402 221 G HA2 -0.189 3.772 3.960 0.001 0.000 0.216 221 G HA3 -0.189 3.772 3.960 0.001 0.000 0.216 221 G C 1.525 175.818 174.900 -1.012 0.000 1.162 221 G CA 1.304 45.761 45.100 -1.071 0.000 0.777 221 G HN 0.319 nan 8.290 nan 0.000 0.539 222 T N 0.751 114.926 114.554 -0.632 0.000 2.699 222 T HA -0.132 4.218 4.350 0.001 0.000 0.268 222 T C 2.489 176.946 174.700 -0.406 0.000 1.036 222 T CA 1.355 63.187 62.100 -0.447 0.000 1.147 222 T CB -0.149 68.619 68.868 -0.167 0.000 0.862 222 T HN 0.297 nan 8.240 nan 0.000 0.446 223 R N 0.333 120.676 120.500 -0.261 0.000 2.066 223 R HA -0.084 4.257 4.340 0.001 0.000 0.232 223 R C 2.454 178.563 176.300 -0.319 0.000 1.131 223 R CA 1.758 57.763 56.100 -0.158 0.000 0.955 223 R CB -0.452 29.902 30.300 0.090 0.000 0.851 223 R HN 0.691 nan 8.270 nan 0.000 0.432 224 Y N -0.920 119.294 120.300 -0.143 0.000 2.544 224 Y HA 0.182 4.732 4.550 0.000 0.000 0.286 224 Y C 1.599 177.381 175.900 -0.196 0.000 1.141 224 Y CA 0.147 58.159 58.100 -0.146 0.000 1.299 224 Y CB -0.460 38.027 38.460 0.046 0.000 1.030 224 Y HN -0.101 nan 8.280 nan 0.000 0.543 225 L N -0.130 120.888 121.223 -0.341 0.000 2.095 225 L HA -0.051 4.289 4.340 0.001 0.000 0.204 225 L C 2.208 178.918 176.870 -0.266 0.000 1.080 225 L CA 0.916 55.622 54.840 -0.224 0.000 0.759 225 L CB -0.315 41.557 42.059 -0.311 0.000 0.914 225 L HN 0.279 nan 8.230 nan 0.000 0.439 226 L N -0.590 120.387 121.223 -0.411 0.000 2.162 226 L HA 0.092 4.433 4.340 0.001 0.000 0.205 226 L C 1.397 178.004 176.870 -0.437 0.000 1.086 226 L CA 0.749 55.317 54.840 -0.454 0.000 0.778 226 L CB -0.550 41.077 42.059 -0.719 0.000 0.928 226 L HN 0.478 nan 8.230 nan 0.000 0.446 227 G N 1.185 109.607 108.800 -0.631 0.000 2.182 227 G HA2 -0.242 3.718 3.960 0.001 0.000 0.248 227 G HA3 -0.242 3.718 3.960 0.001 0.000 0.248 227 G C -0.017 174.379 174.900 -0.839 0.000 1.042 227 G CA 0.558 45.087 45.100 -0.951 0.000 0.775 227 G HN 0.567 nan 8.290 nan 0.000 0.501 228 E N -1.632 118.176 120.200 -0.654 0.000 2.454 228 E HA 0.722 5.073 4.350 0.001 0.000 0.279 228 E C -1.235 175.469 176.600 0.173 0.000 1.029 228 E CA -1.284 55.047 56.400 -0.115 0.000 0.831 228 E CB 1.129 30.824 29.700 -0.008 0.000 1.405 228 E HN -0.012 nan 8.360 nan 0.000 0.463 229 E N 1.084 121.467 120.200 0.305 0.000 2.202 229 E HA 0.394 4.744 4.350 0.001 0.000 0.272 229 E C -2.335 174.213 176.600 -0.087 0.000 0.951 229 E CA -2.285 54.261 56.400 0.244 0.000 0.813 229 E CB 1.644 31.449 29.700 0.175 0.000 1.151 229 E HN 0.354 nan 8.360 nan 0.000 0.398 230 P HA 0.175 nan 4.420 nan 0.000 0.275 230 P C 0.599 177.524 177.300 -0.626 0.000 1.227 230 P CA 0.003 62.431 63.100 -1.120 0.000 0.781 230 P CB 0.777 31.903 31.700 -0.956 0.000 0.906 231 I N -1.260 118.996 120.570 -0.524 0.000 4.035 231 I HA 0.400 4.570 4.170 0.001 0.000 0.321 231 I C 0.458 176.381 176.117 -0.324 0.000 1.289 231 I CA 0.196 61.270 61.300 -0.376 0.000 1.236 231 I CB 0.429 38.288 38.000 -0.234 0.000 1.076 231 I HN 0.244 nan 8.210 nan 0.000 0.418 232 E N 1.176 121.187 120.200 -0.315 0.000 2.308 232 E HA 0.591 4.941 4.350 0.001 0.000 0.275 232 E C -1.888 174.596 176.600 -0.194 0.000 0.890 232 E CA -0.639 55.636 56.400 -0.209 0.000 0.754 232 E CB 3.570 33.187 29.700 -0.138 0.000 1.207 232 E HN 0.014 nan 8.360 nan 0.000 0.426 233 V N 4.113 123.952 119.914 -0.125 0.000 2.876 233 V HA 0.688 4.809 4.120 0.001 0.000 0.312 233 V C -1.092 175.003 176.094 0.002 0.000 1.085 233 V CA -0.484 61.777 62.300 -0.066 0.000 0.945 233 V CB 2.048 33.823 31.823 -0.080 0.000 1.017 233 V HN 0.733 nan 8.190 nan 0.000 0.428 234 R N 2.809 123.341 120.500 0.054 0.000 2.771 234 R HA 0.936 5.276 4.340 0.001 0.000 0.274 234 R C -1.242 175.146 176.300 0.148 0.000 0.987 234 R CA -0.379 55.769 56.100 0.081 0.000 0.908 234 R CB 2.303 32.640 30.300 0.061 0.000 1.213 234 R HN 0.942 nan 8.270 nan 0.000 0.468 235 A N 1.141 124.058 122.820 0.163 0.000 2.586 235 A HA 0.577 4.897 4.320 0.001 0.000 0.291 235 A C -2.313 175.431 177.584 0.267 0.000 1.062 235 A CA -0.555 51.618 52.037 0.228 0.000 0.666 235 A CB 1.540 20.677 19.000 0.228 0.000 1.281 235 A HN 0.643 nan 8.150 nan 0.000 0.421 236 Y N -0.130 120.251 120.300 0.135 0.000 2.571 236 Y HA 0.780 5.330 4.550 0.000 0.000 0.341 236 Y C -0.375 175.610 175.900 0.142 0.000 1.076 236 Y CA 0.100 58.269 58.100 0.115 0.000 1.029 236 Y CB 2.086 40.593 38.460 0.078 0.000 1.308 236 Y HN 1.154 nan 8.280 nan 0.000 0.461 237 T N 3.891 117.926 114.554 -0.865 0.000 2.864 237 T HA 0.646 4.996 4.350 0.001 0.000 0.299 237 T C -2.551 171.726 174.700 -0.705 0.000 1.166 237 T CA -0.389 61.367 62.100 -0.573 0.000 1.007 237 T CB 1.227 69.984 68.868 -0.185 0.000 1.219 237 T HN 0.695 nan 8.240 nan 0.000 0.506 238 Y N 0.744 120.787 120.300 -0.429 0.000 2.465 238 Y HA 0.565 5.116 4.550 0.000 0.000 0.323 238 Y C -1.623 174.183 175.900 -0.156 0.000 1.191 238 Y CA -0.525 57.425 58.100 -0.250 0.000 1.082 238 Y CB 1.380 39.761 38.460 -0.131 0.000 1.334 238 Y HN 0.664 nan 8.280 nan 0.000 0.449 239 S N 4.139 119.266 115.700 -0.954 0.000 2.548 239 S HA 0.208 4.678 4.470 0.001 0.000 0.286 239 S C -1.676 172.439 174.600 -0.809 0.000 1.098 239 S CA -0.893 56.888 58.200 -0.698 0.000 0.930 239 S CB 1.633 64.632 63.200 -0.334 0.000 1.070 239 S HN 0.696 nan 8.310 nan 0.000 0.480 240 D N 3.676 123.893 120.400 -0.306 0.000 2.356 240 D HA 0.072 4.713 4.640 0.001 0.000 0.272 240 D C -1.114 175.162 176.300 -0.039 0.000 1.337 240 D CA -1.507 52.445 54.000 -0.080 0.000 0.970 240 D CB 0.892 41.766 40.800 0.123 0.000 1.092 240 D HN 0.153 nan 8.370 nan 0.000 0.516 241 P HA -0.156 nan 4.420 nan 0.000 0.221 241 P C 0.412 177.713 177.300 0.001 0.000 1.141 241 P CA 0.826 63.904 63.100 -0.035 0.000 0.794 241 P CB 0.435 32.121 31.700 -0.022 0.000 0.764 242 N N -0.616 118.095 118.700 0.018 0.000 2.203 242 N HA 0.005 4.746 4.740 0.001 0.000 0.207 242 N C 0.142 175.653 175.510 0.002 0.000 1.130 242 N CA 0.121 53.178 53.050 0.012 0.000 0.861 242 N CB 0.207 38.707 38.487 0.022 0.000 1.005 242 N HN 0.182 nan 8.380 nan 0.000 0.507 243 D N 1.849 122.259 120.400 0.016 0.000 2.411 243 D HA 0.010 4.651 4.640 0.001 0.000 0.225 243 D C 1.153 177.369 176.300 -0.140 0.000 1.156 243 D CA -0.148 53.828 54.000 -0.040 0.000 0.874 243 D CB 1.046 41.886 40.800 0.068 0.000 1.034 243 D HN 0.296 nan 8.370 nan 0.000 0.502 244 E N 3.296 123.404 120.200 -0.153 0.000 2.273 244 E HA -0.239 4.111 4.350 0.001 0.000 0.198 244 E C 1.314 177.747 176.600 -0.278 0.000 1.002 244 E CA 0.672 56.974 56.400 -0.163 0.000 0.828 244 E CB -0.005 29.619 29.700 -0.126 0.000 0.747 244 E HN 0.398 nan 8.360 nan 0.000 0.491 245 R N 0.018 120.209 120.500 -0.514 0.000 2.127 245 R HA -0.069 4.271 4.340 0.001 0.000 0.238 245 R C 0.190 176.029 176.300 -0.768 0.000 1.134 245 R CA 1.138 56.755 56.100 -0.806 0.000 0.975 245 R CB -0.099 29.391 30.300 -1.351 0.000 0.865 245 R HN 0.204 nan 8.270 nan 0.000 0.447 246 F N -0.450 119.459 119.950 -0.067 0.000 2.434 246 F HA 0.225 4.752 4.527 0.000 0.000 0.316 246 F C 0.727 176.488 175.800 -0.065 0.000 1.222 246 F CA -0.619 57.345 58.000 -0.059 0.000 1.207 246 F CB 0.852 39.822 39.000 -0.050 0.000 1.466 246 F HN -0.306 nan 8.300 nan 0.000 0.545 247 V N -0.381 119.551 119.914 0.029 0.000 3.431 247 V HA 0.064 4.184 4.120 0.001 0.000 0.253 247 V C 1.360 177.458 176.094 0.006 0.000 1.184 247 V CA 1.124 63.426 62.300 0.004 0.000 1.104 247 V CB 0.112 31.918 31.823 -0.029 0.000 0.799 247 V HN 0.524 nan 8.190 nan 0.000 0.462 248 E N -0.224 119.986 120.200 0.017 0.000 2.474 248 E HA 0.211 4.561 4.350 0.001 0.000 0.215 248 E C 0.093 176.697 176.600 0.008 0.000 0.867 248 E CA 0.245 56.647 56.400 0.004 0.000 1.135 248 E CB 1.780 31.480 29.700 0.000 0.000 1.147 248 E HN 0.493 nan 8.360 nan 0.000 0.534 249 V N 0.131 120.084 119.914 0.064 0.000 2.962 249 V HA 0.408 4.528 4.120 0.001 0.000 0.313 249 V C -0.356 175.814 176.094 0.127 0.000 1.099 249 V CA -1.259 61.088 62.300 0.079 0.000 0.971 249 V CB 2.021 33.931 31.823 0.146 0.000 1.028 249 V HN 0.062 nan 8.190 nan 0.000 0.430 250 E N 2.013 122.234 120.200 0.036 0.000 2.383 250 E HA 0.086 4.437 4.350 0.001 0.000 0.264 250 E C -0.172 176.368 176.600 -0.100 0.000 1.050 250 E CA 0.228 56.599 56.400 -0.048 0.000 0.896 250 E CB 1.671 31.342 29.700 -0.048 0.000 0.982 250 E HN 0.868 nan 8.360 nan 0.000 0.424 251 D N 2.866 122.970 120.400 -0.494 0.000 2.255 251 D HA -0.021 4.619 4.640 0.001 0.000 0.224 251 D C -0.127 175.985 176.300 -0.314 0.000 0.997 251 D CA 0.884 54.371 54.000 -0.855 0.000 0.906 251 D CB 0.379 40.175 40.800 -1.674 0.000 1.047 251 D HN 0.374 nan 8.370 nan 0.000 0.458 252 R N -0.381 119.986 120.500 -0.222 0.000 2.637 252 R HA 0.688 5.028 4.340 0.001 0.000 0.291 252 R C -0.865 175.433 176.300 -0.004 0.000 0.963 252 R CA -0.599 55.464 56.100 -0.061 0.000 0.901 252 R CB 2.604 32.903 30.300 -0.002 0.000 1.160 252 R HN 0.226 nan 8.270 nan 0.000 0.457 253 I N 2.745 123.370 120.570 0.091 0.000 2.692 253 I HA 0.464 4.634 4.170 0.001 0.000 0.293 253 I C -1.558 174.722 176.117 0.271 0.000 1.200 253 I CA -0.758 60.642 61.300 0.166 0.000 1.036 253 I CB 1.549 39.681 38.000 0.220 0.000 1.258 253 I HN 0.578 nan 8.210 nan 0.000 0.421 254 I N 6.784 127.497 120.570 0.240 0.000 2.433 254 I HA 0.452 4.622 4.170 0.001 0.000 0.292 254 I C -1.442 174.835 176.117 0.267 0.000 1.001 254 I CA -0.418 60.958 61.300 0.127 0.000 1.119 254 I CB 1.499 39.560 38.000 0.102 0.000 1.289 254 I HN 0.601 nan 8.210 nan 0.000 0.438 255 W N 6.000 127.332 121.300 0.054 0.000 2.883 255 W HA 0.637 5.298 4.660 0.001 0.000 0.335 255 W C -1.307 175.240 176.519 0.047 0.000 1.083 255 W CA -0.754 56.612 57.345 0.035 0.000 1.233 255 W CB 0.758 30.213 29.460 -0.009 0.000 1.412 255 W HN 0.352 nan 8.180 nan 0.000 0.490 256 Q N 4.603 124.517 119.800 0.190 0.000 2.309 256 Q HA 0.657 4.998 4.340 0.001 0.000 0.264 256 Q C -1.281 174.789 176.000 0.117 0.000 1.008 256 Q CA -0.514 55.357 55.803 0.114 0.000 0.853 256 Q CB 1.986 30.764 28.738 0.065 0.000 1.314 256 Q HN 0.940 nan 8.270 nan 0.000 0.448 257 M N 2.165 121.824 119.600 0.098 0.000 2.618 257 M HA 0.571 5.052 4.480 0.001 0.000 0.281 257 M C -0.777 175.507 176.300 -0.027 0.000 1.267 257 M CA -0.793 54.500 55.300 -0.012 0.000 0.845 257 M CB 3.176 35.741 32.600 -0.057 0.000 1.732 257 M HN 0.496 nan 8.290 nan 0.000 0.461 258 R N 0.750 121.124 120.500 -0.210 0.000 2.686 258 R HA 0.751 5.091 4.340 0.001 0.000 0.283 258 R C -2.081 174.018 176.300 -0.335 0.000 0.978 258 R CA -0.376 55.664 56.100 -0.100 0.000 0.897 258 R CB 1.818 32.081 30.300 -0.060 0.000 1.192 258 R HN 0.542 nan 8.270 nan 0.000 0.457 259 F N 1.282 121.197 119.950 -0.059 0.000 2.541 259 F HA 0.429 4.956 4.527 0.001 0.000 0.331 259 F C 1.478 177.243 175.800 -0.058 0.000 1.057 259 F CA -1.094 56.865 58.000 -0.069 0.000 0.975 259 F CB 1.037 39.990 39.000 -0.078 0.000 1.246 259 F HN 0.483 nan 8.300 nan 0.000 0.484 260 R N 0.742 121.308 120.500 0.109 0.000 2.105 260 R HA -0.143 4.197 4.340 0.001 0.000 0.239 260 R C 2.037 178.369 176.300 0.052 0.000 1.135 260 R CA 1.999 58.127 56.100 0.048 0.000 0.967 260 R CB -0.690 29.629 30.300 0.032 0.000 0.861 260 R HN 0.701 nan 8.270 nan 0.000 0.442 261 S N -1.691 114.052 115.700 0.071 0.000 2.507 261 S HA 0.079 4.550 4.470 0.001 0.000 0.235 261 S C 1.447 176.065 174.600 0.030 0.000 0.988 261 S CA 0.778 58.995 58.200 0.029 0.000 0.944 261 S CB -0.081 63.117 63.200 -0.004 0.000 0.762 261 S HN 0.607 nan 8.310 nan 0.000 0.526 262 G N 0.403 109.242 108.800 0.065 0.000 2.176 262 G HA2 -0.042 3.919 3.960 0.001 0.000 0.232 262 G HA3 -0.042 3.919 3.960 0.001 0.000 0.232 262 G C 0.233 175.171 174.900 0.063 0.000 0.986 262 G CA -0.060 45.071 45.100 0.051 0.000 0.643 262 G HN 1.269 nan 8.290 nan 0.000 0.522 263 A N -0.071 122.794 122.820 0.075 0.000 2.445 263 A HA 0.744 5.064 4.320 0.001 0.000 0.242 263 A C 0.494 178.177 177.584 0.166 0.000 1.075 263 A CA 0.397 52.452 52.037 0.029 0.000 0.777 263 A CB 0.395 19.301 19.000 -0.155 0.000 1.013 263 A HN 0.925 nan 8.150 nan 0.000 0.493 264 L N 0.934 122.219 121.223 0.103 0.000 2.301 264 L HA 0.771 5.111 4.340 0.001 0.000 0.264 264 L C 0.258 177.209 176.870 0.135 0.000 1.016 264 L CA -0.534 54.398 54.840 0.154 0.000 0.821 264 L CB 2.353 44.465 42.059 0.089 0.000 1.346 264 L HN 0.919 nan 8.230 nan 0.000 0.429 265 S N -0.880 114.922 115.700 0.170 0.000 2.537 265 S HA 0.642 5.112 4.470 0.001 0.000 0.271 265 S C -1.403 173.262 174.600 0.109 0.000 1.148 265 S CA -0.921 57.339 58.200 0.100 0.000 0.868 265 S CB 1.679 64.942 63.200 0.104 0.000 1.115 265 S HN 0.818 nan 8.310 nan 0.000 0.461 266 H N -0.716 118.285 119.070 -0.115 0.000 2.782 266 H HA 0.877 5.433 4.556 0.000 0.000 0.347 266 H C -0.172 174.938 175.328 -0.364 0.000 1.038 266 H CA -0.764 55.156 56.048 -0.212 0.000 1.255 266 H CB 1.391 31.066 29.762 -0.145 0.000 1.623 266 H HN 1.026 nan 8.280 nan 0.000 0.525 267 G N 0.737 109.120 108.800 -0.695 0.000 2.708 267 G HA2 0.782 4.742 3.960 0.001 0.000 0.289 267 G HA3 0.782 4.742 3.960 0.001 0.000 0.289 267 G C -1.675 172.423 174.900 -1.337 0.000 1.416 267 G CA -0.653 43.867 45.100 -0.967 0.000 0.829 267 G HN 1.040 nan 8.290 nan 0.000 0.480 268 A N -0.600 121.611 122.820 -1.015 0.000 2.610 268 A HA 0.943 5.263 4.320 0.001 0.000 0.291 268 A C -0.406 177.089 177.584 -0.149 0.000 1.086 268 A CA 0.126 51.792 52.037 -0.618 0.000 0.677 268 A CB 1.439 20.297 19.000 -0.237 0.000 1.278 268 A HN 2.190 nan 8.150 nan 0.000 0.414 269 S N -0.306 115.478 115.700 0.140 0.000 2.549 269 S HA 0.870 5.341 4.470 0.001 0.000 0.280 269 S C -0.627 173.991 174.600 0.030 0.000 1.109 269 S CA -0.254 58.035 58.200 0.147 0.000 0.905 269 S CB 1.667 65.008 63.200 0.234 0.000 1.081 269 S HN 1.894 nan 8.310 nan 0.000 0.477 270 S N 0.493 116.182 115.700 -0.017 0.000 2.540 270 S HA 0.635 5.105 4.470 0.001 0.000 0.275 270 S C -1.413 173.203 174.600 0.028 0.000 1.123 270 S CA -0.470 57.720 58.200 -0.015 0.000 0.907 270 S CB 1.069 64.286 63.200 0.028 0.000 1.081 270 S HN 0.721 nan 8.310 nan 0.000 0.476 271 Y N 2.179 122.493 120.300 0.022 0.000 2.467 271 Y HA 0.287 4.837 4.550 0.000 0.000 0.250 271 Y C 1.915 177.927 175.900 0.187 0.000 1.155 271 Y CA 0.213 58.380 58.100 0.112 0.000 1.249 271 Y CB 0.631 39.211 38.460 0.200 0.000 1.146 271 Y HN 0.724 nan 8.280 nan 0.000 0.524 272 S N -1.774 114.090 115.700 0.274 0.000 2.819 272 S HA 0.238 4.708 4.470 0.001 0.000 0.249 272 S C 0.197 174.886 174.600 0.148 0.000 1.030 272 S CA -0.061 58.284 58.200 0.241 0.000 1.052 272 S CB -0.356 62.998 63.200 0.258 0.000 1.017 272 S HN 0.128 nan 8.310 nan 0.000 0.576 273 T N -0.838 113.789 114.554 0.122 0.000 2.893 273 T HA 0.551 4.902 4.350 0.001 0.000 0.293 273 T C -0.244 174.499 174.700 0.072 0.000 1.027 273 T CA -0.509 61.641 62.100 0.083 0.000 0.988 273 T CB 1.189 70.094 68.868 0.061 0.000 1.043 273 T HN 0.004 nan 8.240 nan 0.000 0.461 274 T N 3.459 118.047 114.554 0.055 0.000 2.923 274 T HA 0.045 4.395 4.350 0.001 0.000 0.309 274 T C 0.765 175.484 174.700 0.032 0.000 1.059 274 T CA 0.624 62.749 62.100 0.043 0.000 1.133 274 T CB -0.081 68.806 68.868 0.032 0.000 1.053 274 T HN 0.850 nan 8.240 nan 0.000 0.530 275 T N 4.457 119.027 114.554 0.027 0.000 2.781 275 T HA 0.098 4.449 4.350 0.001 0.000 0.270 275 T C 0.314 175.004 174.700 -0.016 0.000 1.022 275 T CA 0.583 62.686 62.100 0.004 0.000 1.144 275 T CB -0.042 68.822 68.868 -0.008 0.000 1.039 275 T HN 0.718 nan 8.240 nan 0.000 0.494 276 T N 2.444 116.978 114.554 -0.033 0.000 3.041 276 T HA 0.524 4.874 4.350 0.001 0.000 0.321 276 T C -0.698 173.949 174.700 -0.089 0.000 1.184 276 T CA -0.767 61.303 62.100 -0.051 0.000 1.050 276 T CB 1.844 70.697 68.868 -0.025 0.000 1.159 276 T HN 0.423 nan 8.240 nan 0.000 0.469 277 S N 2.140 117.753 115.700 -0.145 0.000 2.397 277 S HA 0.467 4.937 4.470 0.001 0.000 0.190 277 S C -1.013 173.385 174.600 -0.337 0.000 1.100 277 S CA -0.703 57.339 58.200 -0.263 0.000 1.150 277 S CB 0.158 63.155 63.200 -0.339 0.000 1.302 277 S HN 0.702 nan 8.310 nan 0.000 0.417 278 R N 3.438 123.791 120.500 -0.245 0.000 2.502 278 R HA 0.651 4.991 4.340 0.001 0.000 0.300 278 R C -1.793 174.532 176.300 0.043 0.000 0.984 278 R CA -0.415 55.584 56.100 -0.168 0.000 0.882 278 R CB 0.655 30.912 30.300 -0.071 0.000 1.180 278 R HN 0.359 nan 8.270 nan 0.000 0.444 279 F N 0.982 120.892 119.950 -0.066 0.000 2.522 279 F HA 0.570 5.098 4.527 0.001 0.000 0.324 279 F C 0.241 175.988 175.800 -0.088 0.000 1.077 279 F CA -1.137 56.811 58.000 -0.087 0.000 0.944 279 F CB 2.276 41.229 39.000 -0.078 0.000 1.175 279 F HN 0.389 nan 8.300 nan 0.000 0.468 280 S N 1.460 117.209 115.700 0.081 0.000 2.575 280 S HA 0.777 5.247 4.470 0.001 0.000 0.278 280 S C -1.915 172.655 174.600 -0.050 0.000 1.139 280 S CA -0.464 57.738 58.200 0.002 0.000 0.954 280 S CB 1.249 64.432 63.200 -0.028 0.000 1.054 280 S HN 0.346 nan 8.310 nan 0.000 0.483 281 V N 5.511 125.397 119.914 -0.047 0.000 2.376 281 V HA 0.460 4.580 4.120 0.001 0.000 0.287 281 V C -0.498 175.558 176.094 -0.064 0.000 1.015 281 V CA -0.628 61.624 62.300 -0.080 0.000 0.834 281 V CB 1.421 33.190 31.823 -0.091 0.000 1.001 281 V HN 0.898 nan 8.190 nan 0.000 0.428 282 Q N 2.910 122.671 119.800 -0.066 0.000 2.303 282 Q HA 0.635 4.975 4.340 0.001 0.000 0.257 282 Q C 0.437 176.403 176.000 -0.057 0.000 0.941 282 Q CA -0.190 55.582 55.803 -0.051 0.000 0.931 282 Q CB 2.227 30.944 28.738 -0.037 0.000 1.215 282 Q HN 0.898 nan 8.270 nan 0.000 0.437 283 G N 1.019 109.788 108.800 -0.052 0.000 2.820 283 G HA2 0.186 4.147 3.960 0.001 0.000 0.291 283 G HA3 0.186 4.147 3.960 0.001 0.000 0.291 283 G C 0.046 174.919 174.900 -0.045 0.000 1.323 283 G CA -0.584 44.484 45.100 -0.053 0.000 1.055 283 G HN 0.723 nan 8.290 nan 0.000 0.520 284 D N -1.305 119.070 120.400 -0.043 0.000 2.348 284 D HA -0.040 4.601 4.640 0.001 0.000 0.211 284 D C 1.455 177.730 176.300 -0.042 0.000 0.998 284 D CA 0.604 54.581 54.000 -0.038 0.000 0.873 284 D CB 0.392 41.172 40.800 -0.033 0.000 0.925 284 D HN 0.456 nan 8.370 nan 0.000 0.524 285 K N -0.128 120.244 120.400 -0.046 0.000 2.287 285 K HA 0.369 4.689 4.320 0.001 0.000 0.199 285 K C 0.182 176.742 176.600 -0.066 0.000 1.061 285 K CA 0.516 56.771 56.287 -0.054 0.000 0.976 285 K CB 0.662 33.134 32.500 -0.048 0.000 0.898 285 K HN 0.135 nan 8.250 nan 0.000 0.492 286 A N 0.010 122.796 122.820 -0.057 0.000 2.564 286 A HA 0.553 4.873 4.320 0.001 0.000 0.291 286 A C -1.697 175.860 177.584 -0.045 0.000 1.102 286 A CA -0.695 51.308 52.037 -0.057 0.000 0.660 286 A CB 1.627 20.593 19.000 -0.057 0.000 1.283 286 A HN -0.090 nan 8.150 nan 0.000 0.430 287 V N 0.450 120.341 119.914 -0.039 0.000 2.604 287 V HA 0.650 4.770 4.120 0.001 0.000 0.305 287 V C -0.906 175.174 176.094 -0.023 0.000 1.043 287 V CA -0.448 61.833 62.300 -0.032 0.000 0.888 287 V CB 1.454 33.260 31.823 -0.027 0.000 0.995 287 V HN 0.965 nan 8.190 nan 0.000 0.429 288 L N 5.603 126.814 121.223 -0.021 0.000 2.313 288 L HA 0.798 5.138 4.340 0.001 0.000 0.283 288 L C -1.097 175.774 176.870 0.002 0.000 1.013 288 L CA -0.249 54.586 54.840 -0.008 0.000 0.816 288 L CB 1.454 43.510 42.059 -0.006 0.000 1.236 288 L HN 0.640 nan 8.230 nan 0.000 0.419 289 L N 5.788 127.015 121.223 0.006 0.000 2.341 289 L HA 0.683 5.024 4.340 0.001 0.000 0.278 289 L C -1.182 175.694 176.870 0.010 0.000 1.005 289 L CA -0.336 54.509 54.840 0.008 0.000 0.818 289 L CB 1.782 43.839 42.059 -0.003 0.000 1.259 289 L HN 0.712 nan 8.230 nan 0.000 0.418 290 M N 4.779 124.385 119.600 0.011 0.000 2.125 290 M HA 0.444 4.924 4.480 0.001 0.000 0.321 290 M C -1.429 174.814 176.300 -0.095 0.000 0.983 290 M CA -0.412 54.873 55.300 -0.025 0.000 0.934 290 M CB 1.595 34.199 32.600 0.006 0.000 1.542 290 M HN 0.511 nan 8.290 nan 0.000 0.424 291 D N 4.870 125.217 120.400 -0.089 0.000 2.419 291 D HA 0.366 5.006 4.640 0.001 0.000 0.219 291 D C -2.843 173.411 176.300 -0.076 0.000 1.349 291 D CA -0.965 52.972 54.000 -0.104 0.000 0.964 291 D CB 2.181 42.938 40.800 -0.071 0.000 1.463 291 D HN 0.145 nan 8.370 nan 0.000 0.573 292 P HA 0.338 nan 4.420 nan 0.000 0.271 292 P C -0.169 177.005 177.300 -0.211 0.000 1.218 292 P CA -0.219 62.786 63.100 -0.157 0.000 0.780 292 P CB 1.331 32.956 31.700 -0.125 0.000 0.901 293 A N 1.738 124.331 122.820 -0.377 0.000 2.035 293 A HA 0.112 4.433 4.320 0.001 0.000 0.208 293 A C 1.077 178.424 177.584 -0.394 0.000 1.206 293 A CA 1.302 53.046 52.037 -0.487 0.000 0.773 293 A CB -0.496 17.802 19.000 -1.170 0.000 0.878 293 A HN 0.541 nan 8.150 nan 0.000 0.469 294 T N -2.564 111.724 114.554 -0.444 0.000 3.697 294 T HA 0.521 4.871 4.350 0.001 0.000 0.260 294 T C 0.500 174.962 174.700 -0.397 0.000 0.998 294 T CA 0.286 62.165 62.100 -0.369 0.000 1.128 294 T CB 0.006 68.580 68.868 -0.491 0.000 1.082 294 T HN 0.452 nan 8.240 nan 0.000 0.541 295 G N 0.146 108.773 108.800 -0.287 0.000 2.588 295 G HA2 0.438 4.398 3.960 0.001 0.000 0.278 295 G HA3 0.438 4.398 3.960 0.001 0.000 0.278 295 G C -0.010 174.750 174.900 -0.232 0.000 1.307 295 G CA -0.630 44.295 45.100 -0.290 0.000 1.016 295 G HN 0.326 nan 8.290 nan 0.000 0.503 296 Y N -1.233 118.894 120.300 -0.289 0.000 2.517 296 Y HA 0.179 4.729 4.550 0.000 0.000 0.281 296 Y C 1.616 177.115 175.900 -0.668 0.000 1.125 296 Y CA 0.140 57.961 58.100 -0.466 0.000 1.283 296 Y CB -0.060 37.937 38.460 -0.771 0.000 1.042 296 Y HN 0.497 nan 8.280 nan 0.000 0.547 297 Y N -1.870 118.584 120.300 0.256 0.000 3.031 297 Y HA 0.308 4.858 4.550 0.001 0.000 0.193 297 Y C 0.842 176.796 175.900 0.092 0.000 0.940 297 Y CA -0.464 57.744 58.100 0.179 0.000 1.653 297 Y CB -0.210 38.344 38.460 0.155 0.000 1.333 297 Y HN -0.380 nan 8.280 nan 0.000 0.451 298 Q N 2.141 122.075 119.800 0.225 0.000 2.381 298 Q HA 0.299 4.639 4.340 0.001 0.000 0.263 298 Q C -1.488 174.542 176.000 0.050 0.000 1.030 298 Q CA -0.431 55.441 55.803 0.114 0.000 0.772 298 Q CB 0.961 29.763 28.738 0.106 0.000 1.232 298 Q HN 0.371 nan 8.270 nan 0.000 0.476 299 N N 3.298 122.006 118.700 0.014 0.000 2.518 299 N HA 0.407 5.147 4.740 0.001 0.000 0.283 299 N C -0.443 175.062 175.510 -0.009 0.000 1.119 299 N CA -0.088 52.947 53.050 -0.024 0.000 0.983 299 N CB 1.165 39.627 38.487 -0.042 0.000 1.139 299 N HN 0.415 nan 8.380 nan 0.000 0.465 300 L N 2.576 123.786 121.223 -0.022 0.000 2.346 300 L HA 0.628 4.969 4.340 0.001 0.000 0.276 300 L C 0.136 176.999 176.870 -0.012 0.000 1.006 300 L CA -0.918 53.916 54.840 -0.009 0.000 0.817 300 L CB 1.492 43.546 42.059 -0.008 0.000 1.272 300 L HN 0.409 nan 8.230 nan 0.000 0.421 301 I N -0.679 119.891 120.570 0.001 0.000 2.545 301 I HA 0.756 4.927 4.170 0.001 0.000 0.292 301 I C -0.703 175.418 176.117 0.008 0.000 1.040 301 I CA -0.345 60.959 61.300 0.006 0.000 1.068 301 I CB 2.194 40.206 38.000 0.019 0.000 1.251 301 I HN 0.502 nan 8.210 nan 0.000 0.424 302 S N 3.978 119.682 115.700 0.006 0.000 2.568 302 S HA 0.785 5.255 4.470 0.001 0.000 0.293 302 S C -1.003 173.600 174.600 0.005 0.000 1.089 302 S CA -0.482 57.721 58.200 0.006 0.000 0.945 302 S CB 2.147 65.349 63.200 0.003 0.000 1.077 302 S HN 0.531 nan 8.310 nan 0.000 0.485 303 V N 4.405 124.322 119.914 0.006 0.000 2.380 303 V HA 0.390 4.510 4.120 0.001 0.000 0.286 303 V C -1.069 175.025 176.094 -0.001 0.000 1.015 303 V CA -0.708 61.592 62.300 0.001 0.000 0.834 303 V CB 1.244 33.068 31.823 0.001 0.000 1.009 303 V HN 0.830 nan 8.190 nan 0.000 0.428 304 Q N 2.373 122.168 119.800 -0.008 0.000 2.337 304 Q HA 0.481 4.821 4.340 0.001 0.000 0.255 304 Q C 0.239 176.221 176.000 -0.030 0.000 0.997 304 Q CA 0.288 56.085 55.803 -0.010 0.000 0.925 304 Q CB 1.372 30.104 28.738 -0.010 0.000 1.212 304 Q HN 0.760 nan 8.270 nan 0.000 0.436 305 T N 2.597 117.125 114.554 -0.042 0.000 2.807 305 T HA 0.564 4.915 4.350 0.001 0.000 0.279 305 T C -2.498 172.113 174.700 -0.148 0.000 0.993 305 T CA -2.719 59.315 62.100 -0.111 0.000 0.970 305 T CB 0.766 69.539 68.868 -0.158 0.000 0.950 305 T HN 0.225 nan 8.240 nan 0.000 0.441 306 P HA 0.111 nan 4.420 nan 0.000 0.263 306 P C 1.163 178.394 177.300 -0.115 0.000 1.162 306 P CA 1.714 64.745 63.100 -0.115 0.000 0.758 306 P CB 0.039 31.675 31.700 -0.107 0.000 0.773 307 G N 2.078 110.882 108.800 0.007 0.000 2.855 307 G HA2 -0.290 3.671 3.960 0.001 0.000 0.231 307 G HA3 -0.290 3.671 3.960 0.001 0.000 0.231 307 G C 0.225 175.261 174.900 0.227 0.000 1.242 307 G CA 0.252 45.423 45.100 0.119 0.000 0.789 307 G HN 0.747 nan 8.290 nan 0.000 0.517 308 H N 1.436 120.503 119.070 -0.004 0.000 2.607 308 H HA 0.587 5.143 4.556 0.000 0.000 0.367 308 H C 1.055 176.381 175.328 -0.003 0.000 1.181 308 H CA -0.707 55.339 56.048 -0.003 0.000 1.402 308 H CB 1.029 30.789 29.762 -0.003 0.000 1.474 308 H HN 0.688 nan 8.280 nan 0.000 0.596 309 A N 1.390 124.285 122.820 0.125 0.000 2.256 309 A HA -0.015 4.305 4.320 0.001 0.000 0.276 309 A C 0.407 178.023 177.584 0.053 0.000 1.259 309 A CA -0.468 51.608 52.037 0.064 0.000 0.813 309 A CB -0.070 18.953 19.000 0.038 0.000 1.200 309 A HN 0.830 nan 8.150 nan 0.000 0.506 310 N N 0.164 118.883 118.700 0.032 0.000 2.399 310 N HA 0.178 4.919 4.740 0.001 0.000 0.259 310 N C -0.808 174.716 175.510 0.023 0.000 1.160 310 N CA 0.359 53.423 53.050 0.022 0.000 0.946 310 N CB -0.030 38.466 38.487 0.014 0.000 1.156 310 N HN 0.454 nan 8.380 nan 0.000 0.489 311 Q N 2.022 121.837 119.800 0.026 0.000 2.465 311 Q HA 0.173 4.513 4.340 0.001 0.000 0.237 311 Q C -0.411 175.600 176.000 0.018 0.000 1.051 311 Q CA -0.456 55.362 55.803 0.025 0.000 0.874 311 Q CB 0.983 29.741 28.738 0.035 0.000 1.207 311 Q HN 0.531 nan 8.270 nan 0.000 0.508 312 S N 2.492 118.201 115.700 0.015 0.000 2.573 312 S HA 0.222 4.693 4.470 0.001 0.000 0.277 312 S C -0.107 174.501 174.600 0.014 0.000 1.346 312 S CA -0.126 58.081 58.200 0.012 0.000 1.034 312 S CB 0.439 63.645 63.200 0.011 0.000 0.879 312 S HN 0.589 nan 8.310 nan 0.000 0.528 313 M N 4.674 124.282 119.600 0.013 0.000 2.085 313 M HA 0.448 4.929 4.480 0.001 0.000 0.309 313 M C -1.234 175.075 176.300 0.015 0.000 0.947 313 M CA -0.416 54.892 55.300 0.015 0.000 0.918 313 M CB 1.028 33.637 32.600 0.015 0.000 1.504 313 M HN 0.874 nan 8.290 nan 0.000 0.420 320 P HA 0.776 nan 4.420 nan 0.000 0.279 320 P C -0.725 176.596 177.300 0.034 0.000 1.282 320 P CA -0.439 62.682 63.100 0.035 0.000 0.788 320 P CB 0.926 32.650 31.700 0.040 0.000 1.139 321 A N -0.401 122.443 122.820 0.039 0.000 2.733 321 A HA 0.142 4.463 4.320 0.001 0.000 0.232 321 A C 0.267 177.876 177.584 0.042 0.000 1.251 321 A CA -0.169 51.889 52.037 0.035 0.000 1.015 321 A CB -0.359 18.661 19.000 0.033 0.000 1.291 321 A HN 0.571 nan 8.150 nan 0.000 0.595 322 N N 1.527 120.260 118.700 0.056 0.000 2.790 322 N HA 0.190 4.930 4.740 0.001 0.000 0.256 322 N C -0.980 174.582 175.510 0.087 0.000 1.409 322 N CA 0.272 53.371 53.050 0.081 0.000 0.799 322 N CB 0.316 38.871 38.487 0.113 0.000 1.170 322 N HN 0.430 nan 8.380 nan 0.000 0.507 323 N N 0.556 119.285 118.700 0.049 0.000 2.381 323 N HA -0.086 4.655 4.740 0.001 0.000 0.248 323 N C 0.955 176.462 175.510 -0.005 0.000 1.430 323 N CA -0.324 52.761 53.050 0.058 0.000 0.993 323 N CB -0.338 38.186 38.487 0.061 0.000 1.352 323 N HN 0.335 nan 8.380 nan 0.000 0.520 324 Q N 0.004 119.722 119.800 -0.137 0.000 2.096 324 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 324 Q C 0.535 176.411 176.000 -0.208 0.000 0.982 324 Q CA 1.326 57.010 55.803 -0.200 0.000 0.850 324 Q CB -0.593 27.936 28.738 -0.348 0.000 0.901 324 Q HN 0.277 nan 8.270 nan 0.000 0.422 325 F N 2.197 122.167 119.950 0.033 0.000 2.069 325 F HA -0.169 4.359 4.527 0.000 0.000 0.298 325 F C 2.751 178.479 175.800 -0.120 0.000 1.113 325 F CA 1.380 59.349 58.000 -0.051 0.000 1.214 325 F CB -0.934 37.992 39.000 -0.123 0.000 0.978 325 F HN 0.029 nan 8.300 nan 0.000 0.474 326 S N 0.486 116.242 115.700 0.093 0.000 2.365 326 S HA -0.277 4.193 4.470 0.001 0.000 0.221 326 S C 2.406 176.992 174.600 -0.023 0.000 1.037 326 S CA 1.387 59.584 58.200 -0.006 0.000 1.060 326 S CB -1.130 62.090 63.200 0.034 0.000 0.974 326 S HN 0.394 nan 8.310 nan 0.000 0.427 327 A N 1.122 123.945 122.820 0.005 0.000 1.958 327 A HA -0.282 4.038 4.320 0.001 0.000 0.221 327 A C 2.139 179.646 177.584 -0.128 0.000 1.178 327 A CA 2.099 54.138 52.037 0.004 0.000 0.642 327 A CB -0.784 18.259 19.000 0.072 0.000 0.816 327 A HN 0.615 nan 8.150 nan 0.000 0.453 328 Q N -0.594 119.095 119.800 -0.184 0.000 2.079 328 Q HA -0.089 4.251 4.340 0.001 0.000 0.200 328 Q C 2.057 177.935 176.000 -0.204 0.000 0.974 328 Q CA 1.312 56.864 55.803 -0.418 0.000 0.840 328 Q CB -0.184 28.474 28.738 -0.133 0.000 0.898 328 Q HN 0.709 nan 8.270 nan 0.000 0.430 329 L N 0.601 121.752 121.223 -0.120 0.000 2.017 329 L HA -0.199 4.141 4.340 0.001 0.000 0.208 329 L C 1.920 178.846 176.870 0.093 0.000 1.073 329 L CA 1.294 56.078 54.840 -0.093 0.000 0.745 329 L CB -0.331 41.480 42.059 -0.413 0.000 0.894 329 L HN 0.190 nan 8.230 nan 0.000 0.432 330 D N -1.509 118.918 120.400 0.045 0.000 2.224 330 D HA -0.178 4.462 4.640 0.001 0.000 0.205 330 D C 1.992 178.304 176.300 0.020 0.000 0.965 330 D CA 0.798 54.855 54.000 0.094 0.000 0.852 330 D CB -0.046 40.823 40.800 0.114 0.000 0.947 330 D HN 0.299 nan 8.370 nan 0.000 0.494 331 H N 0.037 119.029 119.070 -0.130 0.000 2.387 331 H HA -0.084 4.473 4.556 0.001 0.000 0.299 331 H C 1.830 177.064 175.328 -0.157 0.000 1.099 331 H CA 1.075 57.023 56.048 -0.166 0.000 1.315 331 H CB -0.226 29.313 29.762 -0.373 0.000 1.380 331 H HN 0.080 nan 8.280 nan 0.000 0.513 332 L N 0.065 121.184 121.223 -0.173 0.000 2.156 332 L HA 0.103 4.443 4.340 0.001 0.000 0.208 332 L C 2.313 178.835 176.870 -0.579 0.000 1.095 332 L CA 1.688 56.392 54.840 -0.226 0.000 0.770 332 L CB -1.208 40.904 42.059 0.089 0.000 0.914 332 L HN 0.372 nan 8.230 nan 0.000 0.439 333 A N -0.513 121.930 122.820 -0.629 0.000 1.841 333 A HA -0.185 4.135 4.320 0.001 0.000 0.214 333 A C 2.120 179.235 177.584 -0.782 0.000 1.195 333 A CA 1.606 52.936 52.037 -1.178 0.000 0.611 333 A CB -0.641 18.095 19.000 -0.441 0.000 0.835 333 A HN 0.548 nan 8.150 nan 0.000 0.443 334 E N -0.070 119.860 120.200 -0.451 0.000 2.070 334 E HA -0.204 4.147 4.350 0.001 0.000 0.197 334 E C 2.345 178.729 176.600 -0.359 0.000 1.004 334 E CA 1.074 57.256 56.400 -0.364 0.000 0.805 334 E CB -0.404 29.176 29.700 -0.200 0.000 0.744 334 E HN 0.594 nan 8.360 nan 0.000 0.451 335 A N 1.220 123.790 122.820 -0.416 0.000 1.884 335 A HA -0.221 4.100 4.320 0.001 0.000 0.219 335 A C 2.566 179.986 177.584 -0.273 0.000 1.197 335 A CA 1.901 53.739 52.037 -0.333 0.000 0.637 335 A CB -0.938 17.842 19.000 -0.368 0.000 0.827 335 A HN 0.129 nan 8.150 nan 0.000 0.450 336 V N 0.200 119.881 119.914 -0.389 0.000 2.221 336 V HA -0.268 3.852 4.120 0.001 0.000 0.242 336 V C 2.397 178.359 176.094 -0.219 0.000 1.041 336 V CA 1.996 64.103 62.300 -0.322 0.000 0.995 336 V CB -0.839 30.683 31.823 -0.502 0.000 0.635 336 V HN 0.591 nan 8.190 nan 0.000 0.448 337 I N 0.530 120.926 120.570 -0.290 0.000 2.290 337 I HA -0.279 3.891 4.170 0.001 0.000 0.253 337 I C 0.490 176.516 176.117 -0.152 0.000 1.112 337 I CA 1.818 62.998 61.300 -0.200 0.000 1.377 337 I CB -0.520 37.310 38.000 -0.283 0.000 1.060 337 I HN 0.487 nan 8.210 nan 0.000 0.428 338 N N 1.351 119.952 118.700 -0.164 0.000 2.804 338 N HA 0.185 4.926 4.740 0.001 0.000 0.251 338 N C -0.789 174.669 175.510 -0.086 0.000 1.250 338 N CA -0.288 52.696 53.050 -0.111 0.000 0.820 338 N CB 0.264 38.682 38.487 -0.114 0.000 1.156 338 N HN 0.158 nan 8.380 nan 0.000 0.512 339 N N 2.737 121.402 118.700 -0.058 0.000 2.070 339 N HA -0.171 4.570 4.740 0.001 0.000 0.274 339 N C -0.777 174.713 175.510 -0.033 0.000 1.292 339 N CA 1.018 54.048 53.050 -0.034 0.000 1.022 339 N CB 0.096 38.574 38.487 -0.014 0.000 1.373 339 N HN 0.358 nan 8.380 nan 0.000 0.497 340 K N 1.302 121.674 120.400 -0.046 0.000 2.556 340 K HA 0.479 4.800 4.320 0.001 0.000 0.274 340 K C -2.627 173.952 176.600 -0.034 0.000 0.966 340 K CA -1.429 54.837 56.287 -0.035 0.000 0.865 340 K CB 2.141 34.614 32.500 -0.044 0.000 1.444 340 K HN 0.063 nan 8.250 nan 0.000 0.433 341 P HA 0.239 nan 4.420 nan 0.000 0.282 341 P C -0.362 176.962 177.300 0.039 0.000 1.259 341 P CA -0.622 62.491 63.100 0.021 0.000 0.826 341 P CB 1.253 32.975 31.700 0.036 0.000 1.064 342 V N 3.154 123.116 119.914 0.080 0.000 2.732 342 V HA 0.150 4.271 4.120 0.001 0.000 0.297 342 V C 1.724 178.022 176.094 0.341 0.000 1.060 342 V CA -0.243 62.181 62.300 0.207 0.000 1.038 342 V CB 0.429 32.365 31.823 0.188 0.000 1.003 342 V HN 0.474 nan 8.190 nan 0.000 0.481 343 R N 2.781 123.631 120.500 0.584 0.000 2.280 343 R HA 0.103 4.443 4.340 0.001 0.000 0.207 343 R C 0.406 176.820 176.300 0.189 0.000 1.043 343 R CA 0.784 57.026 56.100 0.237 0.000 1.006 343 R CB 0.052 30.374 30.300 0.036 0.000 0.885 343 R HN 0.641 nan 8.270 nan 0.000 0.467 344 S N 1.391 117.310 115.700 0.364 0.000 2.139 344 S HA 0.230 4.700 4.470 0.001 0.000 0.183 344 S C -2.358 172.443 174.600 0.334 0.000 1.473 344 S CA -1.137 57.304 58.200 0.401 0.000 1.263 344 S CB 1.214 64.789 63.200 0.626 0.000 1.170 344 S HN 0.076 nan 8.310 nan 0.000 0.430 345 P HA 0.112 nan 4.420 nan 0.000 0.272 345 P C 1.198 178.622 177.300 0.207 0.000 1.254 345 P CA -0.034 63.188 63.100 0.203 0.000 0.795 345 P CB 0.518 32.311 31.700 0.154 0.000 1.022 346 G N 0.507 109.409 108.800 0.171 0.000 2.448 346 G HA2 -0.240 3.720 3.960 0.001 0.000 0.219 346 G HA3 -0.240 3.720 3.960 0.001 0.000 0.219 346 G C 1.319 176.298 174.900 0.132 0.000 1.127 346 G CA 0.625 45.816 45.100 0.152 0.000 0.766 346 G HN 0.438 nan 8.290 nan 0.000 0.552 347 E N 0.386 120.667 120.200 0.136 0.000 2.038 347 E HA -0.107 4.244 4.350 0.001 0.000 0.195 347 E C 2.304 178.977 176.600 0.123 0.000 1.000 347 E CA 1.370 57.859 56.400 0.148 0.000 0.803 347 E CB -0.240 29.595 29.700 0.226 0.000 0.750 347 E HN 0.505 nan 8.360 nan 0.000 0.448 348 E N -0.037 120.279 120.200 0.193 0.000 2.160 348 E HA -0.115 4.236 4.350 0.001 0.000 0.195 348 E C 1.958 178.623 176.600 0.109 0.000 0.991 348 E CA 1.587 58.084 56.400 0.162 0.000 0.810 348 E CB -0.629 29.188 29.700 0.194 0.000 0.742 348 E HN 0.255 nan 8.360 nan 0.000 0.466 349 G N 0.252 109.177 108.800 0.210 0.000 2.408 349 G HA2 -0.214 3.747 3.960 0.001 0.000 0.215 349 G HA3 -0.214 3.747 3.960 0.001 0.000 0.215 349 G C 1.635 176.596 174.900 0.102 0.000 1.156 349 G CA 0.678 45.939 45.100 0.268 0.000 0.793 349 G HN 0.365 nan 8.290 nan 0.000 0.535 350 M N 0.100 119.716 119.600 0.027 0.000 2.086 350 M HA -0.098 4.382 4.480 0.001 0.000 0.261 350 M C 2.611 178.840 176.300 -0.119 0.000 1.067 350 M CA 2.161 57.434 55.300 -0.045 0.000 1.116 350 M CB -0.085 32.480 32.600 -0.058 0.000 1.348 350 M HN 0.288 nan 8.290 nan 0.000 0.407 351 Q N 0.854 120.512 119.800 -0.236 0.000 2.112 351 Q HA -0.238 4.102 4.340 0.001 0.000 0.206 351 Q C 1.343 177.294 176.000 -0.083 0.000 0.987 351 Q CA 2.514 58.133 55.803 -0.307 0.000 0.858 351 Q CB -0.438 27.803 28.738 -0.829 0.000 0.905 351 Q HN 0.578 nan 8.270 nan 0.000 0.420 352 D N -1.087 119.288 120.400 -0.041 0.000 2.123 352 D HA -0.092 4.548 4.640 0.001 0.000 0.200 352 D C 1.859 178.136 176.300 -0.039 0.000 0.976 352 D CA 1.365 55.361 54.000 -0.007 0.000 0.831 352 D CB 0.001 40.845 40.800 0.073 0.000 0.974 352 D HN 0.204 nan 8.370 nan 0.000 0.469 353 V N 0.956 120.852 119.914 -0.029 0.000 2.515 353 V HA -0.181 3.939 4.120 0.001 0.000 0.250 353 V C 2.511 178.570 176.094 -0.059 0.000 1.058 353 V CA 1.277 63.549 62.300 -0.047 0.000 1.064 353 V CB -0.387 31.419 31.823 -0.028 0.000 0.675 353 V HN 0.089 nan 8.190 nan 0.000 0.461 354 R N -0.211 120.250 120.500 -0.066 0.000 2.066 354 R HA -0.059 4.282 4.340 0.001 0.000 0.232 354 R C 2.329 178.678 176.300 0.082 0.000 1.131 354 R CA 1.372 57.413 56.100 -0.098 0.000 0.955 354 R CB -0.240 29.887 30.300 -0.288 0.000 0.851 354 R HN 0.411 nan 8.270 nan 0.000 0.432 355 L N 0.449 121.772 121.223 0.167 0.000 2.046 355 L HA -0.195 4.145 4.340 0.001 0.000 0.208 355 L C 2.370 179.194 176.870 -0.076 0.000 1.077 355 L CA 1.260 56.179 54.840 0.132 0.000 0.747 355 L CB -0.296 41.776 42.059 0.022 0.000 0.896 355 L HN 0.289 nan 8.230 nan 0.000 0.432 356 I N -0.626 119.837 120.570 -0.178 0.000 2.286 356 I HA -0.327 3.843 4.170 0.001 0.000 0.248 356 I C 2.689 178.608 176.117 -0.330 0.000 1.115 356 I CA 1.243 62.312 61.300 -0.384 0.000 1.392 356 I CB -0.244 37.524 38.000 -0.385 0.000 1.065 356 I HN 0.419 nan 8.210 nan 0.000 0.418 357 Q N 1.164 120.905 119.800 -0.098 0.000 2.046 357 Q HA -0.212 4.128 4.340 0.001 0.000 0.200 357 Q C 2.375 178.405 176.000 0.050 0.000 0.975 357 Q CA 1.828 57.651 55.803 0.033 0.000 0.836 357 Q CB -0.091 28.663 28.738 0.026 0.000 0.896 357 Q HN 0.510 nan 8.270 nan 0.000 0.428 358 A N 1.120 123.975 122.820 0.059 0.000 1.892 358 A HA -0.213 4.108 4.320 0.001 0.000 0.218 358 A C 2.036 179.636 177.584 0.028 0.000 1.188 358 A CA 1.621 53.714 52.037 0.094 0.000 0.631 358 A CB -0.848 18.256 19.000 0.173 0.000 0.822 358 A HN 0.518 nan 8.150 nan 0.000 0.447 359 I N -1.915 118.611 120.570 -0.074 0.000 2.226 359 I HA -0.277 3.893 4.170 0.001 0.000 0.245 359 I C 2.371 178.486 176.117 -0.002 0.000 1.100 359 I CA 1.378 62.613 61.300 -0.108 0.000 1.374 359 I CB -0.391 37.411 38.000 -0.330 0.000 1.057 359 I HN 0.371 nan 8.210 nan 0.000 0.413 360 Y N 0.996 121.278 120.300 -0.030 0.000 2.224 360 Y HA -0.190 4.361 4.550 0.000 0.000 0.289 360 Y C 2.616 178.519 175.900 0.005 0.000 1.146 360 Y CA 0.876 58.965 58.100 -0.018 0.000 1.182 360 Y CB -0.526 37.917 38.460 -0.028 0.000 0.983 360 Y HN 0.161 nan 8.280 nan 0.000 0.524 361 E N -0.444 119.860 120.200 0.172 0.000 2.152 361 E HA -0.084 4.266 4.350 0.001 0.000 0.192 361 E C 2.404 179.062 176.600 0.097 0.000 0.983 361 E CA 0.882 57.349 56.400 0.111 0.000 0.818 361 E CB -0.434 29.320 29.700 0.089 0.000 0.758 361 E HN 0.371 nan 8.360 nan 0.000 0.467 362 A N 1.512 124.390 122.820 0.095 0.000 1.877 362 A HA -0.115 4.206 4.320 0.001 0.000 0.216 362 A C 2.422 180.074 177.584 0.112 0.000 1.186 362 A CA 2.174 54.264 52.037 0.089 0.000 0.620 362 A CB -0.682 18.367 19.000 0.081 0.000 0.822 362 A HN 0.263 nan 8.150 nan 0.000 0.443 363 A N -0.712 122.188 122.820 0.135 0.000 1.972 363 A HA -0.151 4.169 4.320 0.001 0.000 0.219 363 A C 2.240 179.893 177.584 0.115 0.000 1.169 363 A CA 1.760 53.883 52.037 0.143 0.000 0.635 363 A CB -0.436 18.651 19.000 0.144 0.000 0.810 363 A HN 0.577 nan 8.150 nan 0.000 0.446 364 R N -0.539 120.018 120.500 0.095 0.000 2.051 364 R HA -0.103 4.238 4.340 0.001 0.000 0.225 364 R C 2.581 178.923 176.300 0.070 0.000 1.155 364 R CA 2.099 58.239 56.100 0.068 0.000 0.945 364 R CB -0.609 29.722 30.300 0.051 0.000 0.840 364 R HN 0.619 nan 8.270 nan 0.000 0.432 365 T N -2.864 111.731 114.554 0.068 0.000 2.746 365 T HA 0.004 4.355 4.350 0.001 0.000 0.267 365 T C 1.508 176.248 174.700 0.067 0.000 1.039 365 T CA 1.405 63.541 62.100 0.059 0.000 1.142 365 T CB -0.362 68.538 68.868 0.053 0.000 0.866 365 T HN 0.542 nan 8.240 nan 0.000 0.444 366 G N 1.360 110.210 108.800 0.083 0.000 2.157 366 G HA2 -0.191 3.769 3.960 0.001 0.000 0.239 366 G HA3 -0.191 3.769 3.960 0.001 0.000 0.239 366 G C 0.120 175.060 174.900 0.065 0.000 0.982 366 G CA 0.001 45.155 45.100 0.090 0.000 0.650 366 G HN 0.786 nan 8.290 nan 0.000 0.527 367 R N 0.087 120.621 120.500 0.057 0.000 2.828 367 R HA 0.582 4.922 4.340 0.001 0.000 0.264 367 R C -2.712 173.612 176.300 0.039 0.000 1.022 367 R CA -2.037 54.088 56.100 0.041 0.000 1.021 367 R CB 1.189 31.510 30.300 0.034 0.000 1.163 367 R HN 0.046 nan 8.270 nan 0.000 0.494 368 P HA 0.102 nan 4.420 nan 0.000 0.272 368 P C -0.998 176.310 177.300 0.013 0.000 1.223 368 P CA -0.309 62.800 63.100 0.014 0.000 0.784 368 P CB 0.680 32.380 31.700 -0.001 0.000 0.923 369 V N 2.605 122.520 119.914 0.003 0.000 2.443 369 V HA 0.253 4.374 4.120 0.001 0.000 0.293 369 V C 0.133 176.208 176.094 -0.031 0.000 1.021 369 V CA -0.854 61.452 62.300 0.011 0.000 0.848 369 V CB 1.368 33.214 31.823 0.038 0.000 0.998 369 V HN 0.568 nan 8.190 nan 0.000 0.424 370 N N 3.128 121.816 118.700 -0.020 0.000 2.483 370 N HA 0.051 4.791 4.740 0.001 0.000 0.264 370 N C 0.786 176.233 175.510 -0.104 0.000 1.197 370 N CA 0.796 53.807 53.050 -0.065 0.000 0.927 370 N CB 1.677 40.153 38.487 -0.018 0.000 1.065 370 N HN 0.862 nan 8.380 nan 0.000 0.461 371 T N -0.859 113.486 114.554 -0.348 0.000 3.091 371 T HA 0.049 4.399 4.350 0.001 0.000 0.277 371 T C 0.237 174.316 174.700 -1.036 0.000 0.996 371 T CA -0.493 61.045 62.100 -0.938 0.000 0.897 371 T CB -0.058 68.111 68.868 -1.164 0.000 1.109 371 T HN 0.340 nan 8.240 nan 0.000 0.534 372 D N 2.265 122.404 120.400 -0.435 0.000 2.598 372 D HA 0.101 4.741 4.640 0.001 0.000 0.231 372 D C 0.252 176.514 176.300 -0.064 0.000 1.127 372 D CA -0.490 53.349 54.000 -0.268 0.000 1.126 372 D CB -0.486 40.233 40.800 -0.135 0.000 1.124 372 D HN 0.728 nan 8.370 nan 0.000 0.485 373 W N 1.413 122.730 121.300 0.028 0.000 3.123 373 W HA 0.457 5.117 4.660 0.001 0.000 0.383 373 W C 1.096 177.651 176.519 0.060 0.000 1.102 373 W CA -0.611 56.756 57.345 0.037 0.000 1.865 373 W CB -0.753 28.725 29.460 0.031 0.000 1.111 373 W HN 0.232 nan 8.180 nan 0.000 0.621 374 G N 0.947 109.906 108.800 0.266 0.000 2.160 374 G HA2 -0.382 3.578 3.960 0.001 0.000 0.244 374 G HA3 -0.382 3.578 3.960 0.001 0.000 0.244 374 G C -0.348 174.719 174.900 0.279 0.000 1.022 374 G CA 0.071 45.301 45.100 0.217 0.000 0.741 374 G HN 0.576 nan 8.290 nan 0.000 0.508 375 Y N 1.151 121.626 120.300 0.292 0.000 2.480 375 Y HA 0.497 5.048 4.550 0.000 0.000 0.341 375 Y C 0.453 176.439 175.900 0.142 0.000 1.031 375 Y CA -0.607 57.640 58.100 0.246 0.000 1.295 375 Y CB 0.675 39.352 38.460 0.361 0.000 1.162 375 Y HN 0.175 nan 8.280 nan 0.000 0.523 376 V N 7.275 126.912 119.914 -0.462 0.000 2.644 376 V HA 0.314 4.434 4.120 0.001 0.000 0.295 376 V C 0.020 175.595 176.094 -0.865 0.000 1.053 376 V CA -1.068 60.954 62.300 -0.464 0.000 0.987 376 V CB 1.419 33.109 31.823 -0.221 0.000 1.006 376 V HN 0.614 nan 8.190 nan 0.000 0.472 377 R N 2.842 122.973 120.500 -0.615 0.000 2.608 377 R HA 0.196 4.536 4.340 0.001 0.000 0.277 377 R C 0.150 176.199 176.300 -0.418 0.000 1.341 377 R CA -0.326 55.380 56.100 -0.655 0.000 1.199 377 R CB -0.536 29.145 30.300 -1.031 0.000 1.156 377 R HN 0.660 nan 8.270 nan 0.000 0.558 378 Q N 2.671 122.290 119.800 -0.302 0.000 2.385 378 Q HA 0.112 4.452 4.340 0.001 0.000 0.273 378 Q C 0.906 176.823 176.000 -0.138 0.000 1.281 378 Q CA 1.665 57.371 55.803 -0.162 0.000 0.952 378 Q CB -0.465 28.227 28.738 -0.078 0.000 1.419 378 Q HN 0.844 nan 8.270 nan 0.000 0.472 379 G N 1.858 110.573 108.800 -0.141 0.000 2.253 379 G HA2 0.030 3.990 3.960 0.001 0.000 0.209 379 G HA3 0.030 3.990 3.960 0.001 0.000 0.209 379 G C 0.416 175.232 174.900 -0.140 0.000 0.997 379 G CA -0.247 44.787 45.100 -0.110 0.000 0.640 379 G HN 1.608 nan 8.290 nan 0.000 0.496 380 G N -1.317 107.337 108.800 -0.242 0.000 2.617 380 G HA2 0.354 4.314 3.960 0.001 0.000 0.686 380 G HA3 0.354 4.314 3.960 0.001 0.000 0.686 380 G C -0.348 174.356 174.900 -0.326 0.000 1.214 380 G CA -0.083 44.880 45.100 -0.228 0.000 0.796 380 G HN 1.105 nan 8.290 nan 0.000 0.654 381 Y N 0.000 120.242 120.300 -0.097 0.000 2.660 381 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 381 Y CA 0.000 58.018 58.100 -0.136 0.000 1.940 381 Y CB 0.000 38.452 38.460 -0.014 0.000 1.050 381 Y HN 0.000 nan 8.280 nan 0.000 0.758