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 2hgs_1_A DATA FIRST_RESID 3 DATA SEQUENCE TNWGSLLQDK QQLEELARQA VDRALAEGVL LRTSQEPTSS EVVSYAPFTL DATA SEQUENCE FPSLVPSALL EQAYAVQMDF NLLVDAVSQN AAFLEQTLSS TIKQDDFTAR DATA SEQUENCE LFDIHKQVLK EGIAQTVFLG LNRSDYMFQR SADGSPALKQ IEINTISASF DATA SEQUENCE GGLASRTPAV HRHVLSVLSK TKEAGKILSN NPSKGLALGI AKAWELYGSP DATA SEQUENCE NALVLLIAQE KERNIFDQRA IENELLARNI HVIRRTFEDI SEKGSLDQDR DATA SEQUENCE RLFVDGQEIA VVYFRDGYMP RQYSLQNWEA RLLLERSHAA KCPDIATQLA DATA SEQUENCE GTKKVQQELS RPGMLEMLLP GQPEAVARLR ATFAGLYSLD VGEEGDQAIA DATA SEQUENCE EALAAPSRFV LKPQREGGGN NLYGEEMVQA LKQLKDSEER ASYILMEKIE DATA SEQUENCE PEPFENCLLR PGSPARVVQC ISELGIFGVY VRQEKTLVMN KHVGHLLRTK DATA SEQUENCE AIEHADGGVA AGVAVLDNPY PV 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 173.700 174.700 -1.666 0.000 1.109 3 T CA 0.000 61.451 62.100 -1.082 0.000 1.349 3 T CB 0.000 68.530 68.868 -0.563 0.000 0.612 4 N N 1.197 119.339 118.700 -0.929 0.000 2.256 4 N HA -0.053 4.686 4.740 -0.001 0.000 0.277 4 N C 0.028 175.131 175.510 -0.677 0.000 1.362 4 N CA 0.498 53.122 53.050 -0.710 0.000 0.861 4 N CB 0.095 38.377 38.487 -0.342 0.000 1.136 4 N HN 0.558 nan 8.380 nan 0.000 0.492 5 W N 2.671 123.822 121.300 -0.249 0.000 2.576 5 W HA 0.150 4.809 4.660 -0.001 0.000 0.275 5 W C 2.361 178.773 176.519 -0.178 0.000 1.241 5 W CA -0.086 57.032 57.345 -0.377 0.000 1.328 5 W CB -0.138 29.134 29.460 -0.313 0.000 1.092 5 W HN 0.632 nan 8.180 nan 0.000 0.586 6 G N 1.342 110.206 108.800 0.106 0.000 2.545 6 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.222 6 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.222 6 G C 1.535 176.466 174.900 0.051 0.000 1.126 6 G CA 1.909 47.060 45.100 0.086 0.000 0.754 6 G HN 0.324 nan 8.290 nan 0.000 0.583 7 S N 0.502 116.201 115.700 -0.001 0.000 2.399 7 S HA 0.028 4.497 4.470 -0.001 0.000 0.231 7 S C 2.150 176.768 174.600 0.030 0.000 1.022 7 S CA 1.145 59.343 58.200 -0.004 0.000 0.983 7 S CB -0.286 62.888 63.200 -0.044 0.000 0.803 7 S HN 0.335 nan 8.310 nan 0.000 0.480 8 L N 0.195 121.448 121.223 0.051 0.000 2.558 8 L HA 0.303 4.642 4.340 -0.001 0.000 0.225 8 L C 1.633 178.612 176.870 0.182 0.000 1.128 8 L CA 0.294 55.202 54.840 0.115 0.000 0.868 8 L CB -0.375 41.749 42.059 0.109 0.000 1.006 8 L HN 0.274 nan 8.230 nan 0.000 0.454 9 L N -0.725 120.599 121.223 0.168 0.000 2.592 9 L HA 0.053 4.393 4.340 -0.001 0.000 0.227 9 L C 1.993 178.919 176.870 0.094 0.000 1.127 9 L CA -0.098 54.837 54.840 0.159 0.000 0.884 9 L CB -0.058 42.107 42.059 0.177 0.000 1.065 9 L HN 0.211 nan 8.230 nan 0.000 0.457 10 Q N -0.214 119.629 119.800 0.072 0.000 2.398 10 Q HA 0.006 4.345 4.340 -0.001 0.000 0.204 10 Q C 0.285 176.310 176.000 0.042 0.000 0.932 10 Q CA 0.571 56.403 55.803 0.048 0.000 0.916 10 Q CB -0.093 28.666 28.738 0.035 0.000 1.024 10 Q HN 0.296 nan 8.270 nan 0.000 0.504 11 D N 0.329 120.758 120.400 0.050 0.000 2.396 11 D HA 0.118 4.757 4.640 -0.001 0.000 0.225 11 D C 0.266 176.590 176.300 0.039 0.000 1.121 11 D CA -0.194 53.830 54.000 0.040 0.000 0.853 11 D CB 0.949 41.773 40.800 0.040 0.000 1.043 11 D HN -0.239 nan 8.370 nan 0.000 0.500 12 K N 2.371 122.788 120.400 0.028 0.000 2.063 12 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 12 K C 1.789 178.400 176.600 0.018 0.000 1.048 12 K CA 1.671 57.971 56.287 0.022 0.000 0.928 12 K CB -0.182 32.328 32.500 0.016 0.000 0.713 12 K HN 0.487 nan 8.250 nan 0.000 0.442 13 Q N 0.634 120.445 119.800 0.018 0.000 2.083 13 Q HA -0.154 4.185 4.340 -0.001 0.000 0.198 13 Q C 2.336 178.347 176.000 0.019 0.000 0.969 13 Q CA 1.401 57.213 55.803 0.015 0.000 0.838 13 Q CB -0.167 28.579 28.738 0.014 0.000 0.900 13 Q HN 0.455 nan 8.270 nan 0.000 0.436 14 Q N 0.717 120.533 119.800 0.027 0.000 2.170 14 Q HA -0.186 4.153 4.340 -0.001 0.000 0.203 14 Q C 2.000 178.020 176.000 0.033 0.000 0.976 14 Q CA 0.823 56.647 55.803 0.035 0.000 0.858 14 Q CB 0.014 28.782 28.738 0.050 0.000 0.907 14 Q HN 0.348 nan 8.270 nan 0.000 0.433 15 L N 1.108 122.349 121.223 0.031 0.000 2.005 15 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 15 L C 2.008 178.870 176.870 -0.014 0.000 1.072 15 L CA 2.008 56.857 54.840 0.016 0.000 0.744 15 L CB -0.455 41.617 42.059 0.021 0.000 0.895 15 L HN 0.227 nan 8.230 nan 0.000 0.433 16 E N -0.863 119.332 120.200 -0.007 0.000 2.130 16 E HA -0.318 4.031 4.350 -0.001 0.000 0.196 16 E C 2.018 178.608 176.600 -0.016 0.000 0.998 16 E CA 1.523 57.915 56.400 -0.014 0.000 0.806 16 E CB 0.018 29.716 29.700 -0.004 0.000 0.738 16 E HN 0.566 nan 8.360 nan 0.000 0.459 17 E N 0.525 120.722 120.200 -0.005 0.000 2.076 17 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 17 E C 1.885 178.482 176.600 -0.006 0.000 0.979 17 E CA 0.708 57.107 56.400 -0.001 0.000 0.807 17 E CB -0.139 29.567 29.700 0.010 0.000 0.761 17 E HN 0.203 nan 8.360 nan 0.000 0.454 18 L N 0.041 121.256 121.223 -0.014 0.000 2.201 18 L HA -0.008 4.331 4.340 -0.001 0.000 0.212 18 L C 2.431 179.256 176.870 -0.076 0.000 1.105 18 L CA 0.907 55.727 54.840 -0.034 0.000 0.775 18 L CB -0.423 41.596 42.059 -0.068 0.000 0.913 18 L HN 0.243 nan 8.230 nan 0.000 0.440 19 A N -0.102 122.663 122.820 -0.092 0.000 1.930 19 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 19 A C 2.397 179.918 177.584 -0.106 0.000 1.175 19 A CA 1.151 53.110 52.037 -0.130 0.000 0.627 19 A CB -0.384 18.542 19.000 -0.124 0.000 0.815 19 A HN 0.260 nan 8.150 nan 0.000 0.443 20 R N -0.775 119.685 120.500 -0.066 0.000 2.081 20 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 20 R C 2.484 178.755 176.300 -0.049 0.000 1.131 20 R CA 1.489 57.557 56.100 -0.054 0.000 0.960 20 R CB -0.223 30.063 30.300 -0.024 0.000 0.856 20 R HN 0.568 nan 8.270 nan 0.000 0.436 21 Q N -0.205 119.588 119.800 -0.012 0.000 2.050 21 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 21 Q C 2.146 178.113 176.000 -0.056 0.000 0.980 21 Q CA 1.765 57.590 55.803 0.037 0.000 0.840 21 Q CB -0.268 28.556 28.738 0.143 0.000 0.898 21 Q HN 0.338 nan 8.270 nan 0.000 0.424 22 A N 0.407 123.211 122.820 -0.027 0.000 1.877 22 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 22 A C 2.454 180.017 177.584 -0.036 0.000 1.186 22 A CA 1.629 53.667 52.037 0.001 0.000 0.620 22 A CB -0.838 18.226 19.000 0.107 0.000 0.822 22 A HN 0.209 nan 8.150 nan 0.000 0.443 23 V N 0.637 120.508 119.914 -0.072 0.000 2.287 23 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 23 V C 2.203 178.164 176.094 -0.222 0.000 1.053 23 V CA 2.462 64.617 62.300 -0.242 0.000 1.027 23 V CB -0.816 30.765 31.823 -0.404 0.000 0.646 23 V HN 0.515 nan 8.190 nan 0.000 0.447 24 D N -0.547 119.747 120.400 -0.176 0.000 2.144 24 D HA -0.151 4.488 4.640 -0.001 0.000 0.200 24 D C 2.331 178.500 176.300 -0.219 0.000 0.978 24 D CA 1.033 54.938 54.000 -0.158 0.000 0.833 24 D CB -0.266 40.467 40.800 -0.112 0.000 0.961 24 D HN 0.194 nan 8.370 nan 0.000 0.470 25 R N 0.995 121.295 120.500 -0.332 0.000 2.092 25 R HA 0.054 4.393 4.340 -0.001 0.000 0.231 25 R C 1.902 178.002 176.300 -0.333 0.000 1.119 25 R CA 1.449 57.302 56.100 -0.411 0.000 0.970 25 R CB -0.670 29.217 30.300 -0.689 0.000 0.864 25 R HN 0.077 nan 8.270 nan 0.000 0.440 26 A N 0.396 122.991 122.820 -0.376 0.000 1.877 26 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 26 A C 2.193 179.617 177.584 -0.267 0.000 1.186 26 A CA 1.540 53.310 52.037 -0.445 0.000 0.620 26 A CB -0.628 17.915 19.000 -0.761 0.000 0.822 26 A HN 0.338 nan 8.150 nan 0.000 0.443 27 L N -0.755 120.357 121.223 -0.185 0.000 2.056 27 L HA -0.159 4.181 4.340 -0.001 0.000 0.207 27 L C 3.034 179.821 176.870 -0.140 0.000 1.078 27 L CA 1.045 55.813 54.840 -0.120 0.000 0.749 27 L CB -0.551 41.468 42.059 -0.066 0.000 0.901 27 L HN 0.407 nan 8.230 nan 0.000 0.433 28 A N -0.471 122.261 122.820 -0.147 0.000 1.972 28 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 28 A C 2.021 179.528 177.584 -0.129 0.000 1.169 28 A CA 1.300 53.261 52.037 -0.127 0.000 0.635 28 A CB -0.263 18.663 19.000 -0.124 0.000 0.810 28 A HN 0.366 nan 8.150 nan 0.000 0.446 29 E N -1.082 119.025 120.200 -0.156 0.000 2.489 29 E HA 0.182 4.531 4.350 -0.001 0.000 0.193 29 E C 1.095 177.619 176.600 -0.127 0.000 1.057 29 E CA 0.613 56.932 56.400 -0.136 0.000 0.866 29 E CB -0.202 29.404 29.700 -0.156 0.000 0.916 29 E HN 0.794 nan 8.360 nan 0.000 0.500 30 G N 1.110 109.825 108.800 -0.142 0.000 2.132 30 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.234 30 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.234 30 G C 0.451 175.278 174.900 -0.122 0.000 0.989 30 G CA 0.234 45.249 45.100 -0.142 0.000 0.676 30 G HN 0.183 nan 8.290 nan 0.000 0.522 31 V N 1.861 121.697 119.914 -0.130 0.000 2.149 31 V HA 0.485 4.604 4.120 -0.001 0.000 0.245 31 V C 0.796 176.872 176.094 -0.030 0.000 1.349 31 V CA 0.325 62.575 62.300 -0.084 0.000 1.289 31 V CB -0.117 31.586 31.823 -0.200 0.000 1.401 31 V HN 0.379 nan 8.190 nan 0.000 0.501 32 L N 3.669 124.874 121.223 -0.030 0.000 2.323 32 L HA 0.737 5.076 4.340 -0.001 0.000 0.265 32 L C -0.535 176.440 176.870 0.174 0.000 1.012 32 L CA -0.715 54.097 54.840 -0.047 0.000 0.820 32 L CB 2.482 44.260 42.059 -0.469 0.000 1.334 32 L HN 0.257 nan 8.230 nan 0.000 0.427 33 L N 0.613 121.948 121.223 0.187 0.000 2.393 33 L HA 0.555 4.894 4.340 -0.001 0.000 0.260 33 L C -0.313 176.716 176.870 0.265 0.000 1.002 33 L CA -0.792 54.217 54.840 0.282 0.000 0.818 33 L CB 2.718 44.877 42.059 0.166 0.000 1.369 33 L HN 0.563 nan 8.230 nan 0.000 0.412 34 R N -0.126 120.538 120.500 0.274 0.000 2.707 34 R HA 0.266 4.605 4.340 -0.001 0.000 0.270 34 R C -0.010 176.341 176.300 0.084 0.000 1.083 34 R CA -0.264 55.948 56.100 0.186 0.000 1.182 34 R CB 0.700 31.062 30.300 0.102 0.000 1.084 34 R HN 0.686 nan 8.270 nan 0.000 0.528 35 T N -1.777 112.806 114.554 0.049 0.000 2.813 35 T HA -0.006 4.343 4.350 -0.001 0.000 0.297 35 T C 1.374 176.081 174.700 0.010 0.000 1.036 35 T CA -0.294 61.814 62.100 0.013 0.000 1.044 35 T CB 1.163 70.034 68.868 0.004 0.000 0.993 35 T HN 0.637 nan 8.240 nan 0.000 0.535 36 S N 0.900 116.599 115.700 -0.002 0.000 2.406 36 S HA -0.154 4.315 4.470 -0.001 0.000 0.228 36 S C 1.962 176.560 174.600 -0.003 0.000 1.020 36 S CA 0.429 58.628 58.200 -0.001 0.000 0.965 36 S CB -0.510 62.687 63.200 -0.006 0.000 0.798 36 S HN 0.842 nan 8.310 nan 0.000 0.488 37 Q N 1.035 120.832 119.800 -0.004 0.000 2.364 37 Q HA 0.050 4.389 4.340 -0.001 0.000 0.207 37 Q C -0.090 175.909 176.000 -0.002 0.000 0.970 37 Q CA 0.954 56.755 55.803 -0.004 0.000 0.888 37 Q CB -0.324 28.412 28.738 -0.004 0.000 0.951 37 Q HN 0.471 nan 8.270 nan 0.000 0.469 38 E N 0.984 121.184 120.200 0.001 0.000 3.935 38 E HA 0.196 4.545 4.350 -0.001 0.000 0.226 38 E C -2.091 174.509 176.600 -0.000 0.000 1.220 38 E CA -1.592 54.808 56.400 0.000 0.000 1.226 38 E CB 1.388 31.091 29.700 0.006 0.000 1.237 38 E HN 0.141 nan 8.360 nan 0.000 0.417 39 P HA -0.109 nan 4.420 nan 0.000 0.231 39 P C 0.924 178.203 177.300 -0.034 0.000 1.158 39 P CA 1.077 64.167 63.100 -0.017 0.000 0.763 39 P CB 0.037 31.724 31.700 -0.020 0.000 0.805 40 T N -5.285 109.252 114.554 -0.030 0.000 3.054 40 T HA 0.182 4.532 4.350 -0.001 0.000 0.255 40 T C 0.640 175.321 174.700 -0.032 0.000 1.035 40 T CA -0.299 61.777 62.100 -0.041 0.000 0.941 40 T CB -0.227 68.619 68.868 -0.037 0.000 1.026 40 T HN 0.007 nan 8.240 nan 0.000 0.533 41 S N 0.035 115.727 115.700 -0.012 0.000 2.482 41 S HA 0.548 5.018 4.470 -0.001 0.000 0.303 41 S C 0.339 174.963 174.600 0.039 0.000 1.091 41 S CA -0.654 57.549 58.200 0.005 0.000 1.057 41 S CB 1.725 64.930 63.200 0.009 0.000 1.031 41 S HN 0.167 nan 8.310 nan 0.000 0.485 42 S N 3.309 119.045 115.700 0.060 0.000 2.582 42 S HA 0.158 4.627 4.470 -0.001 0.000 0.234 42 S C 1.022 175.683 174.600 0.101 0.000 0.961 42 S CA -0.374 57.916 58.200 0.149 0.000 0.953 42 S CB 0.037 63.353 63.200 0.194 0.000 0.800 42 S HN 0.685 nan 8.310 nan 0.000 0.471 43 E N 0.946 121.180 120.200 0.057 0.000 2.274 43 E HA 0.109 4.458 4.350 -0.001 0.000 0.194 43 E C 0.233 176.853 176.600 0.032 0.000 0.996 43 E CA 0.393 56.815 56.400 0.036 0.000 0.840 43 E CB 0.247 29.959 29.700 0.021 0.000 0.772 43 E HN 0.208 nan 8.360 nan 0.000 0.491 44 V N 0.245 120.183 119.914 0.041 0.000 2.808 44 V HA 0.403 4.522 4.120 -0.001 0.000 0.308 44 V C -0.546 175.574 176.094 0.044 0.000 1.099 44 V CA -0.800 61.517 62.300 0.029 0.000 0.920 44 V CB 2.390 34.224 31.823 0.020 0.000 1.014 44 V HN -0.031 nan 8.190 nan 0.000 0.425 45 V N 2.012 121.940 119.914 0.023 0.000 3.202 45 V HA 1.010 5.129 4.120 -0.001 0.000 0.306 45 V C -0.616 175.473 176.094 -0.008 0.000 1.283 45 V CA -0.495 61.819 62.300 0.024 0.000 1.065 45 V CB 2.195 34.001 31.823 -0.028 0.000 1.079 45 V HN 0.873 nan 8.190 nan 0.000 0.448 46 S N -0.621 115.069 115.700 -0.016 0.000 2.794 46 S HA 0.778 5.247 4.470 -0.001 0.000 0.299 46 S C -1.125 173.479 174.600 0.005 0.000 1.179 46 S CA -0.465 57.715 58.200 -0.034 0.000 0.838 46 S CB 1.273 64.371 63.200 -0.171 0.000 1.206 46 S HN 1.471 nan 8.310 nan 0.000 0.523 47 Y N 0.399 120.716 120.300 0.028 0.000 2.336 47 Y HA 0.757 5.306 4.550 -0.002 0.000 0.331 47 Y C 0.245 176.210 175.900 0.107 0.000 1.211 47 Y CA -1.212 56.917 58.100 0.049 0.000 1.346 47 Y CB -0.178 38.356 38.460 0.125 0.000 1.271 47 Y HN 0.781 nan 8.280 nan 0.000 0.538 48 A N 3.705 126.669 122.820 0.239 0.000 2.351 48 A HA 0.538 4.858 4.320 -0.001 0.000 0.257 48 A C -2.518 175.273 177.584 0.346 0.000 1.087 48 A CA -1.908 50.250 52.037 0.202 0.000 0.798 48 A CB -0.404 18.724 19.000 0.214 0.000 1.033 48 A HN 0.671 nan 8.150 nan 0.000 0.488 49 P HA 0.413 nan 4.420 nan 0.000 0.269 49 P C -0.797 176.700 177.300 0.328 0.000 1.209 49 P CA 0.447 63.682 63.100 0.226 0.000 0.776 49 P CB 0.185 31.915 31.700 0.049 0.000 0.876 50 F N -1.963 118.040 119.950 0.088 0.000 2.713 50 F HA 0.613 5.140 4.527 -0.001 0.000 0.311 50 F C -0.761 175.079 175.800 0.066 0.000 1.141 50 F CA -1.154 56.882 58.000 0.059 0.000 0.939 50 F CB 0.281 39.295 39.000 0.023 0.000 1.325 50 F HN 0.255 nan 8.300 nan 0.000 0.453 51 T N 0.089 114.744 114.554 0.169 0.000 2.913 51 T HA 0.368 4.717 4.350 -0.001 0.000 0.287 51 T C 0.634 175.350 174.700 0.026 0.000 1.008 51 T CA -0.450 61.671 62.100 0.035 0.000 1.067 51 T CB 1.614 70.563 68.868 0.134 0.000 0.996 51 T HN 0.939 nan 8.240 nan 0.000 0.513 52 L N 0.175 121.269 121.223 -0.214 0.000 2.093 52 L HA 0.343 4.682 4.340 -0.001 0.000 0.208 52 L C -0.287 176.243 176.870 -0.565 0.000 1.085 52 L CA 1.446 56.035 54.840 -0.418 0.000 0.755 52 L CB -0.554 41.152 42.059 -0.589 0.000 0.904 52 L HN 0.688 nan 8.230 nan 0.000 0.435 53 F N -0.387 119.360 119.950 -0.340 0.000 2.579 53 F HA 0.546 5.073 4.527 -0.001 0.000 0.324 53 F C -2.179 173.056 175.800 -0.940 0.000 1.058 53 F CA -2.792 54.699 58.000 -0.849 0.000 0.944 53 F CB 0.802 38.841 39.000 -1.602 0.000 1.245 53 F HN -0.218 nan 8.300 nan 0.000 0.477 54 P HA 0.153 nan 4.420 nan 0.000 0.282 54 P C -0.845 176.490 177.300 0.058 0.000 1.262 54 P CA -0.235 62.621 63.100 -0.406 0.000 0.773 54 P CB 1.108 32.725 31.700 -0.138 0.000 0.879 55 S N 3.496 119.281 115.700 0.142 0.000 2.549 55 S HA 0.156 4.625 4.470 -0.001 0.000 0.283 55 S C 0.772 175.425 174.600 0.088 0.000 1.320 55 S CA -0.473 57.799 58.200 0.120 0.000 1.058 55 S CB -0.089 63.151 63.200 0.066 0.000 0.882 55 S HN 0.305 nan 8.310 nan 0.000 0.498 56 L N 3.194 124.397 121.223 -0.033 0.000 2.490 56 L HA 0.249 4.589 4.340 -0.001 0.000 0.274 56 L C -0.335 176.508 176.870 -0.046 0.000 1.201 56 L CA -0.166 54.679 54.840 0.009 0.000 0.869 56 L CB -0.148 41.841 42.059 -0.116 0.000 1.123 56 L HN 0.310 nan 8.230 nan 0.000 0.484 57 V N 4.028 123.954 119.914 0.020 0.000 2.686 57 V HA 0.291 4.410 4.120 -0.001 0.000 0.306 57 V C -2.300 173.702 176.094 -0.154 0.000 1.065 57 V CA -1.680 60.599 62.300 -0.033 0.000 0.894 57 V CB 2.359 34.228 31.823 0.077 0.000 1.004 57 V HN 0.603 nan 8.190 nan 0.000 0.424 58 P HA 0.052 nan 4.420 nan 0.000 0.261 58 P C 0.955 178.119 177.300 -0.226 0.000 1.203 58 P CA 0.327 63.269 63.100 -0.263 0.000 0.767 58 P CB 0.597 32.073 31.700 -0.374 0.000 0.785 59 S N 3.842 119.455 115.700 -0.146 0.000 2.383 59 S HA -0.263 4.206 4.470 -0.001 0.000 0.229 59 S C 1.936 176.472 174.600 -0.108 0.000 1.030 59 S CA 1.229 59.361 58.200 -0.113 0.000 1.002 59 S CB -1.133 62.013 63.200 -0.090 0.000 0.829 59 S HN 0.470 nan 8.310 nan 0.000 0.467 60 A N 2.028 124.777 122.820 -0.118 0.000 1.933 60 A HA 0.102 4.421 4.320 -0.001 0.000 0.218 60 A C 2.282 179.793 177.584 -0.122 0.000 1.175 60 A CA 1.362 53.338 52.037 -0.102 0.000 0.628 60 A CB -0.776 18.169 19.000 -0.092 0.000 0.814 60 A HN 0.536 nan 8.150 nan 0.000 0.444 61 L N -1.153 119.949 121.223 -0.202 0.000 2.156 61 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 61 L C 2.504 179.283 176.870 -0.152 0.000 1.095 61 L CA 0.848 55.553 54.840 -0.224 0.000 0.770 61 L CB -0.520 41.261 42.059 -0.463 0.000 0.914 61 L HN 0.459 nan 8.230 nan 0.000 0.439 62 L N 0.127 121.274 121.223 -0.128 0.000 2.093 62 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 62 L C 2.290 179.200 176.870 0.066 0.000 1.085 62 L CA 1.740 56.563 54.840 -0.028 0.000 0.755 62 L CB -0.466 41.580 42.059 -0.022 0.000 0.904 62 L HN 0.178 nan 8.230 nan 0.000 0.435 63 E N -0.905 119.314 120.200 0.032 0.000 2.072 63 E HA -0.279 4.070 4.350 -0.001 0.000 0.191 63 E C 2.126 178.759 176.600 0.056 0.000 0.985 63 E CA 1.287 57.726 56.400 0.065 0.000 0.801 63 E CB -0.149 29.552 29.700 0.001 0.000 0.750 63 E HN 0.632 nan 8.360 nan 0.000 0.452 64 Q N 0.311 120.100 119.800 -0.018 0.000 2.084 64 Q HA -0.184 4.155 4.340 -0.001 0.000 0.202 64 Q C 2.121 178.069 176.000 -0.086 0.000 0.978 64 Q CA 1.409 57.183 55.803 -0.048 0.000 0.844 64 Q CB -0.095 28.593 28.738 -0.083 0.000 0.898 64 Q HN 0.247 nan 8.270 nan 0.000 0.426 65 A N -0.327 122.385 122.820 -0.179 0.000 1.933 65 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 65 A C 1.698 179.210 177.584 -0.120 0.000 1.175 65 A CA 1.222 53.055 52.037 -0.339 0.000 0.628 65 A CB -0.821 17.916 19.000 -0.439 0.000 0.814 65 A HN 0.520 nan 8.150 nan 0.000 0.444 66 Y N -0.230 120.034 120.300 -0.061 0.000 2.200 66 Y HA -0.012 4.537 4.550 -0.002 0.000 0.290 66 Y C 2.853 178.785 175.900 0.055 0.000 1.137 66 Y CA 0.829 58.881 58.100 -0.080 0.000 1.163 66 Y CB -0.517 37.808 38.460 -0.225 0.000 0.988 66 Y HN 0.310 nan 8.280 nan 0.000 0.518 67 A N -1.293 121.648 122.820 0.203 0.000 2.125 67 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 67 A C 2.166 179.841 177.584 0.151 0.000 1.156 67 A CA 1.559 53.697 52.037 0.168 0.000 0.671 67 A CB -0.797 18.260 19.000 0.096 0.000 0.794 67 A HN 0.302 nan 8.150 nan 0.000 0.459 68 V N -0.994 119.014 119.914 0.158 0.000 3.621 68 V HA -0.001 4.118 4.120 -0.001 0.000 0.285 68 V C 2.083 178.366 176.094 0.316 0.000 1.346 68 V CA 1.365 63.773 62.300 0.180 0.000 1.104 68 V CB 0.223 32.152 31.823 0.176 0.000 0.913 68 V HN 0.636 nan 8.190 nan 0.000 0.432 69 Q N 0.345 120.355 119.800 0.350 0.000 2.050 69 Q HA -0.178 4.161 4.340 -0.001 0.000 0.202 69 Q C 1.986 178.186 176.000 0.333 0.000 0.980 69 Q CA 2.469 58.511 55.803 0.399 0.000 0.840 69 Q CB -0.384 28.590 28.738 0.393 0.000 0.898 69 Q HN 0.628 nan 8.270 nan 0.000 0.424 70 M N 0.208 119.967 119.600 0.264 0.000 2.149 70 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 70 M C 1.247 177.612 176.300 0.108 0.000 1.064 70 M CA 1.574 56.976 55.300 0.170 0.000 1.102 70 M CB -0.229 32.442 32.600 0.119 0.000 1.369 70 M HN 0.189 nan 8.290 nan 0.000 0.408 71 D N -0.035 120.413 120.400 0.080 0.000 2.117 71 D HA -0.118 4.521 4.640 -0.001 0.000 0.198 71 D C 1.799 178.066 176.300 -0.054 0.000 0.982 71 D CA 1.417 55.395 54.000 -0.038 0.000 0.828 71 D CB -0.338 40.386 40.800 -0.128 0.000 0.967 71 D HN 0.281 nan 8.370 nan 0.000 0.464 72 F N 1.556 121.563 119.950 0.094 0.000 2.186 72 F HA -0.099 4.427 4.527 -0.001 0.000 0.299 72 F C 2.188 178.024 175.800 0.060 0.000 1.090 72 F CA 0.746 58.809 58.000 0.106 0.000 1.307 72 F CB -0.351 38.745 39.000 0.159 0.000 1.019 72 F HN -0.105 nan 8.300 nan 0.000 0.489 73 N N 0.332 119.173 118.700 0.235 0.000 2.120 73 N HA -0.147 4.592 4.740 -0.001 0.000 0.188 73 N C 2.082 177.436 175.510 -0.259 0.000 1.024 73 N CA 1.089 54.158 53.050 0.031 0.000 0.852 73 N CB -0.686 37.876 38.487 0.125 0.000 1.003 73 N HN 0.263 nan 8.380 nan 0.000 0.424 74 L N 0.145 121.285 121.223 -0.139 0.000 2.046 74 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 74 L C 2.240 179.030 176.870 -0.134 0.000 1.077 74 L CA 0.648 55.385 54.840 -0.170 0.000 0.747 74 L CB -0.395 41.604 42.059 -0.100 0.000 0.896 74 L HN 0.155 nan 8.230 nan 0.000 0.432 75 L N -0.494 120.689 121.223 -0.067 0.000 2.017 75 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 75 L C 2.380 179.256 176.870 0.010 0.000 1.073 75 L CA 1.697 56.519 54.840 -0.030 0.000 0.745 75 L CB -0.433 41.626 42.059 -0.000 0.000 0.894 75 L HN -0.081 nan 8.230 nan 0.000 0.432 76 V N -0.112 119.843 119.914 0.069 0.000 2.407 76 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 76 V C 2.320 178.440 176.094 0.043 0.000 1.055 76 V CA 1.974 64.336 62.300 0.105 0.000 1.049 76 V CB -0.809 31.128 31.823 0.190 0.000 0.662 76 V HN 0.544 nan 8.190 nan 0.000 0.455 77 D N -0.000 120.342 120.400 -0.095 0.000 2.178 77 D HA -0.078 4.561 4.640 -0.001 0.000 0.202 77 D C 2.108 178.369 176.300 -0.066 0.000 0.974 77 D CA 1.287 55.225 54.000 -0.103 0.000 0.841 77 D CB -0.061 40.547 40.800 -0.320 0.000 0.953 77 D HN 0.374 nan 8.370 nan 0.000 0.478 78 A N -0.227 122.546 122.820 -0.078 0.000 1.898 78 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 78 A C 2.462 180.021 177.584 -0.042 0.000 1.181 78 A CA 1.324 53.317 52.037 -0.072 0.000 0.620 78 A CB -0.730 18.212 19.000 -0.096 0.000 0.819 78 A HN 0.181 nan 8.150 nan 0.000 0.442 79 V N 1.083 120.988 119.914 -0.016 0.000 2.287 79 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 79 V C 3.022 179.186 176.094 0.118 0.000 1.053 79 V CA 2.455 64.796 62.300 0.068 0.000 1.027 79 V CB -1.023 30.888 31.823 0.147 0.000 0.646 79 V HN 0.823 nan 8.190 nan 0.000 0.447 80 S N -0.154 115.593 115.700 0.079 0.000 2.419 80 S HA -0.267 4.202 4.470 -0.001 0.000 0.233 80 S C 1.823 176.454 174.600 0.052 0.000 1.016 80 S CA 1.588 59.828 58.200 0.066 0.000 0.974 80 S CB -0.410 62.841 63.200 0.086 0.000 0.786 80 S HN 0.737 nan 8.310 nan 0.000 0.492 81 Q N 0.790 120.600 119.800 0.018 0.000 2.354 81 Q HA 0.198 4.538 4.340 -0.001 0.000 0.203 81 Q C 0.375 176.405 176.000 0.049 0.000 0.933 81 Q CA 0.114 55.916 55.803 -0.003 0.000 0.901 81 Q CB -0.093 28.604 28.738 -0.068 0.000 1.007 81 Q HN 0.472 nan 8.270 nan 0.000 0.495 82 N N 0.812 119.560 118.700 0.079 0.000 2.448 82 N HA 0.119 4.858 4.740 -0.001 0.000 0.250 82 N C 0.106 175.733 175.510 0.194 0.000 1.136 82 N CA 0.035 53.156 53.050 0.118 0.000 0.953 82 N CB 1.195 39.746 38.487 0.108 0.000 1.251 82 N HN 0.155 nan 8.380 nan 0.000 0.502 83 A N 3.815 126.737 122.820 0.170 0.000 1.930 83 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 83 A C 2.076 179.788 177.584 0.214 0.000 1.175 83 A CA 1.557 53.728 52.037 0.223 0.000 0.627 83 A CB -0.430 18.664 19.000 0.156 0.000 0.815 83 A HN 0.682 nan 8.150 nan 0.000 0.443 84 A N -1.038 121.884 122.820 0.170 0.000 1.930 84 A HA -0.012 4.307 4.320 -0.001 0.000 0.217 84 A C 1.992 179.670 177.584 0.157 0.000 1.175 84 A CA 1.506 53.629 52.037 0.143 0.000 0.627 84 A CB -0.703 18.363 19.000 0.112 0.000 0.815 84 A HN 0.652 nan 8.150 nan 0.000 0.443 85 F N 0.658 120.644 119.950 0.059 0.000 2.095 85 F HA -0.175 4.351 4.527 -0.002 0.000 0.298 85 F C 1.868 177.698 175.800 0.050 0.000 1.104 85 F CA 1.844 59.870 58.000 0.044 0.000 1.232 85 F CB -0.383 38.639 39.000 0.036 0.000 0.987 85 F HN 0.146 nan 8.300 nan 0.000 0.475 86 L N -0.023 121.196 121.223 -0.008 0.000 2.056 86 L HA -0.194 4.145 4.340 -0.001 0.000 0.207 86 L C 2.540 179.377 176.870 -0.055 0.000 1.078 86 L CA 1.873 56.666 54.840 -0.078 0.000 0.749 86 L CB -0.778 41.351 42.059 0.118 0.000 0.901 86 L HN 0.239 nan 8.230 nan 0.000 0.433 87 E N -0.118 120.143 120.200 0.102 0.000 2.047 87 E HA -0.304 4.045 4.350 -0.001 0.000 0.191 87 E C 2.172 178.674 176.600 -0.163 0.000 0.987 87 E CA 1.345 57.756 56.400 0.018 0.000 0.799 87 E CB 0.059 29.864 29.700 0.175 0.000 0.752 87 E HN 0.365 nan 8.360 nan 0.000 0.449 88 Q N 0.104 119.829 119.800 -0.125 0.000 2.030 88 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 88 Q C 2.056 177.918 176.000 -0.230 0.000 0.986 88 Q CA 2.776 58.493 55.803 -0.143 0.000 0.843 88 Q CB -0.470 28.217 28.738 -0.085 0.000 0.904 88 Q HN 0.211 nan 8.270 nan 0.000 0.420 89 T N 0.760 115.086 114.554 -0.379 0.000 2.665 89 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 89 T C 1.364 175.887 174.700 -0.295 0.000 1.035 89 T CA 1.660 63.514 62.100 -0.410 0.000 1.151 89 T CB -0.196 68.243 68.868 -0.715 0.000 0.862 89 T HN 0.285 nan 8.240 nan 0.000 0.438 90 L N 1.449 122.476 121.223 -0.326 0.000 2.592 90 L HA 0.134 4.473 4.340 -0.001 0.000 0.227 90 L C 2.632 179.277 176.870 -0.375 0.000 1.127 90 L CA 0.197 54.834 54.840 -0.338 0.000 0.884 90 L CB -0.475 41.351 42.059 -0.388 0.000 1.065 90 L HN 0.337 nan 8.230 nan 0.000 0.457 91 S N -0.826 114.680 115.700 -0.323 0.000 2.372 91 S HA -0.278 4.191 4.470 -0.001 0.000 0.227 91 S C 2.141 176.617 174.600 -0.206 0.000 1.044 91 S CA 2.028 60.064 58.200 -0.274 0.000 1.050 91 S CB -0.442 62.650 63.200 -0.180 0.000 0.901 91 S HN 0.352 nan 8.310 nan 0.000 0.447 92 S N 0.531 116.135 115.700 -0.159 0.000 2.414 92 S HA -0.005 4.465 4.470 -0.001 0.000 0.227 92 S C 1.901 176.431 174.600 -0.116 0.000 1.022 92 S CA 1.327 59.458 58.200 -0.115 0.000 0.958 92 S CB -0.957 62.197 63.200 -0.077 0.000 0.797 92 S HN 0.777 nan 8.310 nan 0.000 0.493 93 T N 3.132 117.601 114.554 -0.142 0.000 2.708 93 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 93 T C 1.745 176.363 174.700 -0.135 0.000 1.037 93 T CA 1.613 63.637 62.100 -0.127 0.000 1.146 93 T CB -0.596 68.186 68.868 -0.143 0.000 0.865 93 T HN 0.736 nan 8.240 nan 0.000 0.435 94 I N -0.480 119.973 120.570 -0.195 0.000 2.850 94 I HA -0.010 4.159 4.170 -0.001 0.000 0.266 94 I C 1.854 177.896 176.117 -0.126 0.000 1.257 94 I CA 1.444 62.634 61.300 -0.184 0.000 1.465 94 I CB -0.310 37.518 38.000 -0.286 0.000 1.091 94 I HN 0.024 nan 8.210 nan 0.000 0.467 95 K N 0.144 120.478 120.400 -0.109 0.000 2.314 95 K HA 0.098 4.418 4.320 -0.001 0.000 0.198 95 K C 1.782 178.350 176.600 -0.053 0.000 1.045 95 K CA 0.460 56.703 56.287 -0.074 0.000 0.988 95 K CB 0.169 32.630 32.500 -0.065 0.000 0.783 95 K HN 0.345 nan 8.250 nan 0.000 0.484 96 Q N 0.009 119.776 119.800 -0.054 0.000 2.350 96 Q HA 0.055 4.394 4.340 -0.001 0.000 0.225 96 Q C -0.459 175.522 176.000 -0.032 0.000 0.878 96 Q CA 0.498 56.282 55.803 -0.031 0.000 0.935 96 Q CB 0.711 29.439 28.738 -0.016 0.000 1.099 96 Q HN 0.125 nan 8.270 nan 0.000 0.527 97 D N 0.564 120.935 120.400 -0.048 0.000 2.440 97 D HA 0.094 4.733 4.640 -0.001 0.000 0.239 97 D C 0.237 176.530 176.300 -0.011 0.000 1.084 97 D CA -0.226 53.759 54.000 -0.026 0.000 0.843 97 D CB 1.302 42.077 40.800 -0.041 0.000 1.097 97 D HN -0.141 nan 8.370 nan 0.000 0.531 98 D N 2.571 122.979 120.400 0.014 0.000 2.116 98 D HA -0.238 4.401 4.640 -0.001 0.000 0.193 98 D C 1.449 177.758 176.300 0.015 0.000 0.998 98 D CA 1.176 55.175 54.000 -0.002 0.000 0.836 98 D CB -0.037 40.776 40.800 0.022 0.000 0.951 98 D HN 0.457 nan 8.370 nan 0.000 0.449 99 F N 0.791 120.721 119.950 -0.032 0.000 2.095 99 F HA -0.162 4.364 4.527 -0.002 0.000 0.298 99 F C 2.320 178.107 175.800 -0.022 0.000 1.104 99 F CA 1.752 59.763 58.000 0.019 0.000 1.232 99 F CB -0.821 38.223 39.000 0.074 0.000 0.987 99 F HN -0.066 nan 8.300 nan 0.000 0.475 100 T N 0.590 115.091 114.554 -0.089 0.000 2.915 100 T HA -0.079 4.270 4.350 -0.001 0.000 0.269 100 T C 2.186 176.780 174.700 -0.177 0.000 1.071 100 T CA 1.004 62.980 62.100 -0.207 0.000 1.132 100 T CB -0.692 68.117 68.868 -0.097 0.000 0.878 100 T HN 0.374 nan 8.240 nan 0.000 0.479 101 A N 2.260 124.988 122.820 -0.154 0.000 1.877 101 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 101 A C 2.424 179.886 177.584 -0.204 0.000 1.186 101 A CA 1.076 53.041 52.037 -0.119 0.000 0.620 101 A CB -0.390 18.536 19.000 -0.122 0.000 0.822 101 A HN 0.366 nan 8.150 nan 0.000 0.443 102 R N -0.395 119.841 120.500 -0.440 0.000 2.073 102 R HA -0.073 4.267 4.340 -0.001 0.000 0.234 102 R C 2.138 178.065 176.300 -0.622 0.000 1.134 102 R CA 1.449 57.076 56.100 -0.789 0.000 0.952 102 R CB -0.778 28.490 30.300 -1.720 0.000 0.850 102 R HN 0.520 nan 8.270 nan 0.000 0.433 103 L N -0.182 120.739 121.223 -0.503 0.000 1.989 103 L HA -0.213 4.126 4.340 -0.001 0.000 0.211 103 L C 2.492 179.290 176.870 -0.121 0.000 1.071 103 L CA 1.438 56.117 54.840 -0.268 0.000 0.749 103 L CB -0.627 41.247 42.059 -0.309 0.000 0.890 103 L HN 0.063 nan 8.230 nan 0.000 0.431 104 F N 1.466 121.296 119.950 -0.200 0.000 2.126 104 F HA -0.302 4.224 4.527 -0.001 0.000 0.299 104 F C 2.221 177.997 175.800 -0.040 0.000 1.096 104 F CA 2.093 60.051 58.000 -0.070 0.000 1.255 104 F CB -0.316 38.629 39.000 -0.092 0.000 0.997 104 F HN 0.211 nan 8.300 nan 0.000 0.479 105 D N -0.081 120.238 120.400 -0.135 0.000 2.218 105 D HA -0.192 4.447 4.640 -0.001 0.000 0.204 105 D C 2.132 178.292 176.300 -0.232 0.000 0.976 105 D CA 1.500 55.374 54.000 -0.211 0.000 0.853 105 D CB -0.283 40.413 40.800 -0.172 0.000 0.939 105 D HN 0.455 nan 8.370 nan 0.000 0.481 106 I N -0.546 119.913 120.570 -0.186 0.000 2.406 106 I HA -0.157 4.012 4.170 -0.001 0.000 0.249 106 I C 2.148 178.211 176.117 -0.090 0.000 1.122 106 I CA 0.815 62.054 61.300 -0.103 0.000 1.431 106 I CB -0.341 37.643 38.000 -0.027 0.000 1.087 106 I HN 0.186 nan 8.210 nan 0.000 0.424 107 H N 1.613 120.538 119.070 -0.241 0.000 2.352 107 H HA -0.167 4.388 4.556 -0.002 0.000 0.299 107 H C 2.094 177.240 175.328 -0.303 0.000 1.097 107 H CA 1.729 57.629 56.048 -0.247 0.000 1.311 107 H CB 0.121 29.681 29.762 -0.337 0.000 1.377 107 H HN -0.093 nan 8.280 nan 0.000 0.504 108 K N 0.656 120.690 120.400 -0.610 0.000 2.001 108 K HA -0.084 4.235 4.320 -0.001 0.000 0.208 108 K C 2.377 178.792 176.600 -0.309 0.000 1.048 108 K CA 1.649 57.597 56.287 -0.564 0.000 0.932 108 K CB -0.459 31.750 32.500 -0.485 0.000 0.715 108 K HN 0.593 nan 8.250 nan 0.000 0.437 109 Q N 0.147 119.820 119.800 -0.213 0.000 2.135 109 Q HA -0.124 4.215 4.340 -0.001 0.000 0.204 109 Q C 2.031 177.971 176.000 -0.100 0.000 0.981 109 Q CA 1.453 57.180 55.803 -0.126 0.000 0.856 109 Q CB -0.236 28.451 28.738 -0.085 0.000 0.902 109 Q HN 0.010 nan 8.270 nan 0.000 0.425 110 V N 1.079 120.934 119.914 -0.098 0.000 2.427 110 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 110 V C 2.145 178.199 176.094 -0.068 0.000 1.051 110 V CA 1.366 63.639 62.300 -0.046 0.000 1.048 110 V CB -0.428 31.397 31.823 0.003 0.000 0.666 110 V HN 0.353 nan 8.190 nan 0.000 0.456 111 L N -0.433 120.695 121.223 -0.159 0.000 2.056 111 L HA -0.189 4.151 4.340 -0.001 0.000 0.207 111 L C 2.621 179.433 176.870 -0.096 0.000 1.078 111 L CA 1.692 56.440 54.840 -0.153 0.000 0.749 111 L CB -0.516 41.372 42.059 -0.285 0.000 0.901 111 L HN 0.305 nan 8.230 nan 0.000 0.433 112 K N 0.270 120.607 120.400 -0.106 0.000 2.002 112 K HA -0.256 4.064 4.320 -0.001 0.000 0.209 112 K C 2.010 178.586 176.600 -0.040 0.000 1.048 112 K CA 1.743 57.987 56.287 -0.071 0.000 0.930 112 K CB -0.020 32.434 32.500 -0.077 0.000 0.714 112 K HN 0.229 nan 8.250 nan 0.000 0.438 113 E N -0.373 119.807 120.200 -0.032 0.000 2.347 113 E HA -0.031 4.318 4.350 -0.001 0.000 0.196 113 E C -0.107 176.492 176.600 -0.000 0.000 1.008 113 E CA 0.525 56.919 56.400 -0.010 0.000 0.852 113 E CB 0.141 29.841 29.700 0.000 0.000 0.783 113 E HN 0.469 nan 8.360 nan 0.000 0.505 114 G N 0.666 109.464 108.800 -0.004 0.000 2.788 114 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.686 114 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.686 114 G C -0.629 174.286 174.900 0.025 0.000 1.147 114 G CA -0.442 44.664 45.100 0.011 0.000 0.755 114 G HN 0.089 nan 8.290 nan 0.000 0.634 115 I N 2.161 122.759 120.570 0.048 0.000 2.517 115 I HA 0.376 4.545 4.170 -0.001 0.000 0.285 115 I C 1.783 177.911 176.117 0.018 0.000 1.106 115 I CA 0.449 61.792 61.300 0.072 0.000 1.402 115 I CB 0.392 38.492 38.000 0.166 0.000 1.399 115 I HN 0.935 nan 8.210 nan 0.000 0.535 116 A N 6.846 129.650 122.820 -0.026 0.000 1.898 116 A HA -0.085 4.235 4.320 -0.001 0.000 0.214 116 A C 0.987 178.309 177.584 -0.435 0.000 1.183 116 A CA 0.365 52.327 52.037 -0.125 0.000 0.622 116 A CB -0.399 18.582 19.000 -0.031 0.000 0.824 116 A HN 0.780 nan 8.150 nan 0.000 0.444 117 Q N -0.650 118.930 119.800 -0.368 0.000 2.349 117 Q HA 0.297 4.636 4.340 -0.001 0.000 0.287 117 Q C 0.045 175.751 176.000 -0.490 0.000 1.044 117 Q CA 0.815 56.315 55.803 -0.505 0.000 0.918 117 Q CB 0.205 28.696 28.738 -0.411 0.000 1.242 117 Q HN 0.125 nan 8.270 nan 0.000 0.405 118 T N 0.756 115.031 114.554 -0.465 0.000 3.043 118 T HA 0.222 4.571 4.350 -0.001 0.000 0.272 118 T C -0.478 174.096 174.700 -0.211 0.000 0.990 118 T CA -0.083 61.899 62.100 -0.197 0.000 0.897 118 T CB 0.689 69.513 68.868 -0.073 0.000 1.111 118 T HN 0.366 nan 8.240 nan 0.000 0.529 119 V N 2.068 121.705 119.914 -0.462 0.000 2.604 119 V HA 0.649 4.768 4.120 -0.001 0.000 0.305 119 V C -1.214 174.582 176.094 -0.497 0.000 1.043 119 V CA -0.900 61.258 62.300 -0.236 0.000 0.888 119 V CB 1.716 33.511 31.823 -0.048 0.000 0.995 119 V HN 0.230 nan 8.190 nan 0.000 0.429 120 F N 5.081 125.091 119.950 0.100 0.000 2.576 120 F HA 0.865 5.392 4.527 -0.001 0.000 0.313 120 F C -0.210 175.649 175.800 0.098 0.000 1.078 120 F CA -0.768 57.301 58.000 0.115 0.000 0.921 120 F CB 2.067 41.154 39.000 0.144 0.000 1.232 120 F HN 0.434 nan 8.300 nan 0.000 0.459 121 L N -0.019 121.327 121.223 0.206 0.000 2.540 121 L HA 1.089 5.428 4.340 -0.001 0.000 0.256 121 L C -1.080 175.665 176.870 -0.209 0.000 1.001 121 L CA -0.908 53.917 54.840 -0.024 0.000 0.843 121 L CB 2.242 44.270 42.059 -0.051 0.000 1.436 121 L HN 0.703 nan 8.230 nan 0.000 0.410 122 G N 1.912 110.224 108.800 -0.813 0.000 2.643 122 G HA2 0.672 4.631 3.960 -0.001 0.000 0.305 122 G HA3 0.672 4.631 3.960 -0.001 0.000 0.305 122 G C -1.391 173.285 174.900 -0.373 0.000 1.387 122 G CA -0.653 44.100 45.100 -0.578 0.000 0.982 122 G HN 0.549 nan 8.290 nan 0.000 0.501 123 L N 2.736 123.927 121.223 -0.054 0.000 2.294 123 L HA 0.440 4.780 4.340 -0.001 0.000 0.283 123 L C -0.561 176.407 176.870 0.163 0.000 1.015 123 L CA -0.930 53.942 54.840 0.053 0.000 0.831 123 L CB 1.423 43.530 42.059 0.080 0.000 1.217 123 L HN 0.809 nan 8.230 nan 0.000 0.420 124 N N 2.657 121.485 118.700 0.214 0.000 2.831 124 N HA 0.626 5.365 4.740 -0.001 0.000 0.276 124 N C -1.110 174.517 175.510 0.195 0.000 1.416 124 N CA -1.070 52.102 53.050 0.203 0.000 0.799 124 N CB 1.680 40.282 38.487 0.192 0.000 1.554 124 N HN 0.384 nan 8.380 nan 0.000 0.541 125 R N -0.286 120.235 120.500 0.034 0.000 2.515 125 R HA 0.447 4.786 4.340 -0.001 0.000 0.291 125 R C -1.580 174.592 176.300 -0.213 0.000 1.046 125 R CA -0.501 55.490 56.100 -0.182 0.000 0.914 125 R CB 1.439 31.498 30.300 -0.402 0.000 1.191 125 R HN 0.690 nan 8.270 nan 0.000 0.435 126 S N 3.031 118.577 115.700 -0.257 0.000 2.422 126 S HA 0.282 4.751 4.470 -0.001 0.000 0.308 126 S C -0.905 173.356 174.600 -0.566 0.000 1.097 126 S CA -0.701 57.230 58.200 -0.448 0.000 1.099 126 S CB 0.709 63.622 63.200 -0.479 0.000 0.976 126 S HN 0.506 nan 8.310 nan 0.000 0.471 127 D N 3.886 123.891 120.400 -0.659 0.000 2.193 127 D HA 0.389 5.028 4.640 -0.001 0.000 0.244 127 D C -0.901 174.966 176.300 -0.720 0.000 1.064 127 D CA 0.160 53.845 54.000 -0.524 0.000 0.845 127 D CB 1.010 41.632 40.800 -0.297 0.000 1.148 127 D HN 0.519 nan 8.370 nan 0.000 0.464 128 Y N 0.212 120.454 120.300 -0.097 0.000 2.576 128 Y HA 0.505 5.054 4.550 -0.001 0.000 0.346 128 Y C 0.393 176.195 175.900 -0.163 0.000 1.018 128 Y CA -0.972 57.092 58.100 -0.059 0.000 1.050 128 Y CB 1.773 40.253 38.460 0.034 0.000 1.280 128 Y HN 0.058 nan 8.280 nan 0.000 0.474 129 M N 1.230 120.846 119.600 0.027 0.000 2.761 129 M HA 0.546 5.025 4.480 -0.001 0.000 0.305 129 M C -1.729 174.559 176.300 -0.021 0.000 1.235 129 M CA -0.796 54.396 55.300 -0.181 0.000 0.850 129 M CB 1.850 34.387 32.600 -0.105 0.000 1.744 129 M HN 0.403 nan 8.290 nan 0.000 0.480 130 F N 0.985 120.996 119.950 0.101 0.000 2.347 130 F HA 0.433 4.959 4.527 -0.001 0.000 0.366 130 F C 0.085 175.927 175.800 0.070 0.000 1.107 130 F CA -0.941 57.106 58.000 0.078 0.000 1.058 130 F CB 0.419 39.456 39.000 0.061 0.000 1.236 130 F HN 0.430 nan 8.300 nan 0.000 0.456 131 Q N 3.570 123.507 119.800 0.228 0.000 2.267 131 Q HA 0.361 4.700 4.340 -0.001 0.000 0.255 131 Q C -0.128 175.942 176.000 0.117 0.000 0.923 131 Q CA -0.735 55.153 55.803 0.141 0.000 0.925 131 Q CB 0.899 29.704 28.738 0.112 0.000 1.195 131 Q HN 0.593 nan 8.270 nan 0.000 0.417 132 R N 2.090 122.646 120.500 0.094 0.000 2.421 132 R HA 0.121 4.460 4.340 -0.001 0.000 0.305 132 R C -0.234 176.099 176.300 0.055 0.000 1.039 132 R CA 0.117 56.260 56.100 0.070 0.000 1.003 132 R CB 0.899 31.235 30.300 0.061 0.000 0.959 132 R HN 0.487 nan 8.270 nan 0.000 0.427 133 S N 1.177 116.904 115.700 0.045 0.000 2.768 133 S HA 0.494 4.964 4.470 -0.001 0.000 0.300 133 S C 1.290 175.906 174.600 0.027 0.000 1.122 133 S CA -0.036 58.186 58.200 0.037 0.000 0.995 133 S CB 1.388 64.608 63.200 0.034 0.000 1.195 133 S HN 0.687 nan 8.310 nan 0.000 0.547 134 A N 1.822 124.657 122.820 0.024 0.000 1.859 134 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 134 A C 1.663 179.256 177.584 0.015 0.000 1.242 134 A CA 2.653 54.702 52.037 0.019 0.000 0.661 134 A CB -1.592 17.419 19.000 0.017 0.000 0.842 134 A HN 0.877 nan 8.150 nan 0.000 0.455 135 D N -1.711 118.696 120.400 0.011 0.000 2.106 135 D HA 0.018 4.657 4.640 -0.001 0.000 0.191 135 D C 1.586 177.890 176.300 0.007 0.000 0.997 135 D CA 2.393 56.397 54.000 0.006 0.000 0.834 135 D CB -0.394 40.408 40.800 0.002 0.000 0.956 135 D HN 0.846 nan 8.370 nan 0.000 0.448 136 G N -0.710 108.097 108.800 0.010 0.000 2.977 136 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.211 136 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.211 136 G C 0.068 174.975 174.900 0.012 0.000 0.994 136 G CA 0.290 45.398 45.100 0.013 0.000 0.795 136 G HN 0.360 nan 8.290 nan 0.000 0.518 137 S N 2.774 118.476 115.700 0.004 0.000 2.546 137 S HA 0.471 4.941 4.470 -0.001 0.000 0.290 137 S C -2.097 172.507 174.600 0.008 0.000 1.290 137 S CA -0.525 57.671 58.200 -0.006 0.000 1.069 137 S CB 1.276 64.468 63.200 -0.013 0.000 0.846 137 S HN 0.416 nan 8.310 nan 0.000 0.495 138 P HA 0.430 nan 4.420 nan 0.000 0.279 138 P C -1.008 176.307 177.300 0.025 0.000 1.239 138 P CA -0.433 62.690 63.100 0.037 0.000 0.789 138 P CB 0.878 32.587 31.700 0.015 0.000 0.933 139 A N 3.439 126.305 122.820 0.077 0.000 2.365 139 A HA 0.523 4.842 4.320 -0.001 0.000 0.318 139 A C -0.755 176.914 177.584 0.142 0.000 1.091 139 A CA -0.902 51.177 52.037 0.069 0.000 0.763 139 A CB 0.770 19.810 19.000 0.067 0.000 1.248 139 A HN 0.555 nan 8.150 nan 0.000 0.442 140 L N 2.279 123.569 121.223 0.111 0.000 2.418 140 L HA 0.368 4.707 4.340 -0.001 0.000 0.274 140 L C -0.452 176.548 176.870 0.218 0.000 1.135 140 L CA 0.622 55.568 54.840 0.178 0.000 0.870 140 L CB 0.122 42.185 42.059 0.007 0.000 1.154 140 L HN 0.490 nan 8.230 nan 0.000 0.462 141 K N 4.999 125.582 120.400 0.304 0.000 2.397 141 K HA 0.279 4.598 4.320 -0.001 0.000 0.253 141 K C -1.013 175.810 176.600 0.373 0.000 0.932 141 K CA -0.623 55.847 56.287 0.304 0.000 0.795 141 K CB 1.895 34.513 32.500 0.197 0.000 1.159 141 K HN 0.638 nan 8.250 nan 0.000 0.424 142 Q N 3.293 123.323 119.800 0.384 0.000 2.313 142 Q HA 0.084 4.423 4.340 -0.001 0.000 0.266 142 Q C 0.511 176.491 176.000 -0.034 0.000 0.989 142 Q CA -0.050 55.808 55.803 0.092 0.000 0.890 142 Q CB 0.612 29.422 28.738 0.120 0.000 1.200 142 Q HN 0.475 nan 8.270 nan 0.000 0.396 143 I N 2.281 122.745 120.570 -0.177 0.000 2.628 143 I HA 0.032 4.201 4.170 -0.001 0.000 0.255 143 I C 0.421 176.457 176.117 -0.134 0.000 1.119 143 I CA 1.176 62.410 61.300 -0.111 0.000 1.448 143 I CB -0.573 37.359 38.000 -0.113 0.000 1.133 143 I HN 0.804 nan 8.210 nan 0.000 0.438 144 E N -0.107 119.961 120.200 -0.219 0.000 2.427 144 E HA 0.442 4.791 4.350 -0.001 0.000 0.279 144 E C -1.202 175.225 176.600 -0.288 0.000 1.120 144 E CA -0.740 55.543 56.400 -0.195 0.000 0.869 144 E CB 1.793 31.422 29.700 -0.119 0.000 1.393 144 E HN -0.021 nan 8.360 nan 0.000 0.443 145 I N 1.019 121.462 120.570 -0.212 0.000 2.465 145 I HA 0.455 4.624 4.170 -0.001 0.000 0.291 145 I C -1.453 174.602 176.117 -0.104 0.000 1.014 145 I CA -0.826 60.340 61.300 -0.222 0.000 1.093 145 I CB 1.464 39.324 38.000 -0.233 0.000 1.267 145 I HN 0.475 nan 8.210 nan 0.000 0.431 146 N N 5.260 123.908 118.700 -0.087 0.000 2.469 146 N HA 0.238 4.977 4.740 -0.001 0.000 0.253 146 N C 0.232 175.764 175.510 0.036 0.000 0.970 146 N CA -0.141 52.892 53.050 -0.027 0.000 0.940 146 N CB 1.816 40.273 38.487 -0.051 0.000 1.128 146 N HN 0.712 nan 8.380 nan 0.000 0.503 147 T N -0.897 113.698 114.554 0.069 0.000 3.054 147 T HA 0.293 4.643 4.350 -0.001 0.000 0.255 147 T C 0.662 175.443 174.700 0.136 0.000 1.035 147 T CA -0.083 62.089 62.100 0.121 0.000 0.941 147 T CB 0.206 69.160 68.868 0.142 0.000 1.026 147 T HN 0.434 nan 8.240 nan 0.000 0.533 148 I N 0.660 121.295 120.570 0.108 0.000 2.498 148 I HA 0.567 4.736 4.170 -0.001 0.000 0.290 148 I C 0.138 176.286 176.117 0.051 0.000 1.032 148 I CA -0.401 60.976 61.300 0.127 0.000 1.073 148 I CB 1.897 39.992 38.000 0.158 0.000 1.251 148 I HN 0.152 nan 8.210 nan 0.000 0.426 149 S N 4.888 120.628 115.700 0.067 0.000 3.631 149 S HA -0.210 4.259 4.470 -0.001 0.000 0.366 149 S C 0.291 174.861 174.600 -0.050 0.000 0.993 149 S CA 0.565 58.738 58.200 -0.046 0.000 1.167 149 S CB -1.162 61.971 63.200 -0.112 0.000 0.909 149 S HN 1.227 nan 8.310 nan 0.000 0.478 150 A N 1.968 124.837 122.820 0.081 0.000 2.489 150 A HA 0.556 4.875 4.320 -0.001 0.000 0.289 150 A C 0.771 178.497 177.584 0.237 0.000 1.216 150 A CA 0.486 52.620 52.037 0.162 0.000 0.883 150 A CB 0.103 19.265 19.000 0.270 0.000 1.110 150 A HN 0.656 nan 8.150 nan 0.000 0.523 151 S N 0.695 116.494 115.700 0.166 0.000 2.758 151 S HA 0.745 5.215 4.470 -0.001 0.000 0.292 151 S C -0.004 174.795 174.600 0.332 0.000 1.131 151 S CA -0.293 57.961 58.200 0.091 0.000 0.997 151 S CB 0.212 63.291 63.200 -0.203 0.000 1.111 151 S HN 0.945 nan 8.310 nan 0.000 0.552 152 F N -0.914 119.130 119.950 0.157 0.000 2.628 152 F HA -0.191 4.336 4.527 -0.001 0.000 0.319 152 F C 1.576 177.473 175.800 0.162 0.000 0.645 152 F CA 0.532 58.629 58.000 0.161 0.000 1.499 152 F CB -1.785 37.316 39.000 0.168 0.000 1.900 152 F HN 0.717 nan 8.300 nan 0.000 0.308 153 G N -0.094 108.757 108.800 0.084 0.000 2.511 153 G HA2 0.180 4.139 3.960 -0.001 0.000 0.217 153 G HA3 0.180 4.139 3.960 -0.001 0.000 0.217 153 G C 1.692 176.497 174.900 -0.159 0.000 1.133 153 G CA 0.802 45.692 45.100 -0.349 0.000 0.792 153 G HN 0.673 nan 8.290 nan 0.000 0.539 154 G N 0.971 109.726 108.800 -0.076 0.000 2.395 154 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.214 154 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.214 154 G C 1.722 176.632 174.900 0.016 0.000 1.177 154 G CA 0.356 45.428 45.100 -0.046 0.000 0.794 154 G HN 0.369 nan 8.290 nan 0.000 0.532 155 L N 0.838 122.115 121.223 0.091 0.000 2.131 155 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 155 L C 3.283 180.211 176.870 0.097 0.000 1.092 155 L CA 0.946 55.860 54.840 0.124 0.000 0.759 155 L CB -0.408 41.798 42.059 0.245 0.000 0.903 155 L HN 0.315 nan 8.230 nan 0.000 0.435 156 A N 0.116 123.015 122.820 0.132 0.000 2.067 156 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 156 A C 2.487 180.102 177.584 0.052 0.000 1.158 156 A CA 1.522 53.633 52.037 0.123 0.000 0.661 156 A CB -0.428 18.698 19.000 0.211 0.000 0.801 156 A HN 0.513 nan 8.150 nan 0.000 0.452 157 S N -0.399 115.308 115.700 0.013 0.000 2.481 157 S HA -0.060 4.409 4.470 -0.001 0.000 0.231 157 S C 1.738 176.328 174.600 -0.017 0.000 0.996 157 S CA 0.864 59.056 58.200 -0.014 0.000 0.942 157 S CB -0.273 62.905 63.200 -0.036 0.000 0.768 157 S HN 0.638 nan 8.310 nan 0.000 0.520 158 R N 0.829 121.314 120.500 -0.024 0.000 2.265 158 R HA 0.115 4.454 4.340 -0.001 0.000 0.194 158 R C 2.233 178.473 176.300 -0.101 0.000 0.931 158 R CA 1.108 57.173 56.100 -0.058 0.000 1.032 158 R CB -0.298 29.964 30.300 -0.064 0.000 0.980 158 R HN 0.715 nan 8.270 nan 0.000 0.497 159 T N -1.831 112.666 114.554 -0.095 0.000 3.043 159 T HA 0.123 4.472 4.350 -0.001 0.000 0.263 159 T C -1.221 173.375 174.700 -0.174 0.000 1.094 159 T CA 0.012 61.996 62.100 -0.194 0.000 1.127 159 T CB -0.463 68.304 68.868 -0.169 0.000 0.905 159 T HN -0.023 nan 8.240 nan 0.000 0.490 160 P HA 0.039 nan 4.420 nan 0.000 0.215 160 P C 1.881 179.200 177.300 0.032 0.000 1.153 160 P CA 1.527 64.665 63.100 0.063 0.000 0.853 160 P CB -0.353 31.400 31.700 0.087 0.000 0.788 161 A N -0.701 122.111 122.820 -0.014 0.000 1.940 161 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 161 A C 2.262 179.832 177.584 -0.023 0.000 1.176 161 A CA 1.868 53.902 52.037 -0.006 0.000 0.631 161 A CB -1.764 17.214 19.000 -0.036 0.000 0.814 161 A HN 0.031 nan 8.150 nan 0.000 0.446 162 V N -0.680 119.149 119.914 -0.142 0.000 2.307 162 V HA -0.294 3.826 4.120 -0.001 0.000 0.245 162 V C 2.277 178.318 176.094 -0.087 0.000 1.045 162 V CA 2.362 64.531 62.300 -0.219 0.000 1.024 162 V CB -1.202 30.335 31.823 -0.477 0.000 0.651 162 V HN 0.750 nan 8.190 nan 0.000 0.449 163 H N -0.336 118.758 119.070 0.040 0.000 2.389 163 H HA -0.050 4.505 4.556 -0.001 0.000 0.299 163 H C 2.603 177.991 175.328 0.099 0.000 1.081 163 H CA 1.245 57.334 56.048 0.068 0.000 1.345 163 H CB 0.027 29.847 29.762 0.098 0.000 1.393 163 H HN 0.281 nan 8.280 nan 0.000 0.520 164 R N -0.271 120.362 120.500 0.221 0.000 2.091 164 R HA -0.209 4.130 4.340 -0.001 0.000 0.238 164 R C 2.138 178.528 176.300 0.150 0.000 1.136 164 R CA 1.772 57.977 56.100 0.174 0.000 0.959 164 R CB -0.490 29.887 30.300 0.129 0.000 0.856 164 R HN 0.497 nan 8.270 nan 0.000 0.437 165 H N 0.542 119.640 119.070 0.047 0.000 2.290 165 H HA -0.112 4.443 4.556 -0.001 0.000 0.298 165 H C 1.995 177.343 175.328 0.034 0.000 1.087 165 H CA 2.131 58.193 56.048 0.023 0.000 1.291 165 H CB -0.063 29.689 29.762 -0.017 0.000 1.369 165 H HN -0.081 nan 8.280 nan 0.000 0.492 166 V N 0.673 120.712 119.914 0.210 0.000 2.332 166 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 166 V C 2.662 178.814 176.094 0.098 0.000 1.055 166 V CA 1.988 64.356 62.300 0.113 0.000 1.038 166 V CB -0.612 31.223 31.823 0.019 0.000 0.651 166 V HN 0.428 nan 8.190 nan 0.000 0.450 167 L N -0.467 120.839 121.223 0.138 0.000 2.093 167 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 167 L C 2.604 179.525 176.870 0.085 0.000 1.085 167 L CA 1.428 56.362 54.840 0.157 0.000 0.755 167 L CB -0.562 41.610 42.059 0.189 0.000 0.904 167 L HN 0.292 nan 8.230 nan 0.000 0.435 168 S N -0.490 115.225 115.700 0.024 0.000 2.382 168 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 168 S C 2.049 176.611 174.600 -0.063 0.000 1.027 168 S CA 1.097 59.279 58.200 -0.029 0.000 0.991 168 S CB -0.218 62.941 63.200 -0.068 0.000 0.823 168 S HN 0.163 nan 8.310 nan 0.000 0.469 169 V N 1.715 121.561 119.914 -0.113 0.000 2.392 169 V HA -0.125 3.994 4.120 -0.001 0.000 0.249 169 V C 1.740 177.829 176.094 -0.009 0.000 1.059 169 V CA 1.463 63.709 62.300 -0.091 0.000 1.051 169 V CB -0.545 31.227 31.823 -0.085 0.000 0.658 169 V HN 0.452 nan 8.190 nan 0.000 0.455 170 L N -0.093 121.150 121.223 0.034 0.000 2.611 170 L HA 0.152 4.491 4.340 -0.001 0.000 0.229 170 L C 1.104 178.005 176.870 0.051 0.000 1.137 170 L CA 0.248 55.125 54.840 0.062 0.000 0.901 170 L CB -0.090 42.040 42.059 0.119 0.000 1.098 170 L HN 0.401 nan 8.230 nan 0.000 0.456 171 S N -0.293 115.427 115.700 0.034 0.000 3.635 171 S HA -0.204 4.265 4.470 -0.001 0.000 0.328 171 S C 0.455 175.085 174.600 0.048 0.000 1.135 171 S CA 0.788 59.007 58.200 0.032 0.000 0.942 171 S CB -1.375 61.839 63.200 0.024 0.000 0.930 171 S HN 0.471 nan 8.310 nan 0.000 0.512 172 K N 1.659 122.101 120.400 0.071 0.000 2.559 172 K HA 0.209 4.528 4.320 -0.001 0.000 0.236 172 K C 1.495 178.154 176.600 0.099 0.000 1.185 172 K CA 0.357 56.699 56.287 0.091 0.000 1.157 172 K CB 0.051 32.626 32.500 0.125 0.000 1.782 172 K HN 0.548 nan 8.250 nan 0.000 0.419 173 T N -1.485 113.113 114.554 0.072 0.000 2.962 173 T HA -0.164 4.185 4.350 -0.001 0.000 0.270 173 T C 1.644 176.394 174.700 0.084 0.000 1.088 173 T CA 0.792 62.934 62.100 0.069 0.000 1.127 173 T CB 0.042 68.938 68.868 0.046 0.000 0.883 173 T HN 0.222 nan 8.240 nan 0.000 0.493 174 K N 1.814 122.266 120.400 0.088 0.000 1.973 174 K HA -0.043 4.277 4.320 -0.001 0.000 0.210 174 K C 2.101 178.788 176.600 0.145 0.000 1.045 174 K CA 1.451 57.793 56.287 0.092 0.000 0.937 174 K CB -0.749 31.797 32.500 0.076 0.000 0.721 174 K HN 0.349 nan 8.250 nan 0.000 0.438 175 E N 1.631 121.953 120.200 0.204 0.000 2.058 175 E HA -0.127 4.222 4.350 -0.001 0.000 0.194 175 E C 2.152 178.964 176.600 0.353 0.000 0.997 175 E CA 1.742 58.361 56.400 0.364 0.000 0.801 175 E CB -0.572 29.331 29.700 0.338 0.000 0.746 175 E HN 0.460 nan 8.360 nan 0.000 0.450 176 A N 0.692 123.656 122.820 0.240 0.000 1.917 176 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 176 A C 2.453 180.137 177.584 0.167 0.000 1.182 176 A CA 1.918 54.076 52.037 0.202 0.000 0.633 176 A CB -1.379 17.705 19.000 0.139 0.000 0.819 176 A HN 0.369 nan 8.150 nan 0.000 0.448 177 G N -1.164 107.714 108.800 0.129 0.000 2.559 177 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.216 177 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.216 177 G C 1.479 176.417 174.900 0.063 0.000 1.126 177 G CA 0.934 46.085 45.100 0.085 0.000 0.778 177 G HN 0.591 nan 8.290 nan 0.000 0.543 178 K N -0.514 119.928 120.400 0.069 0.000 2.367 178 K HA 0.271 4.590 4.320 -0.001 0.000 0.194 178 K C 0.568 177.114 176.600 -0.090 0.000 1.027 178 K CA -0.398 55.850 56.287 -0.065 0.000 1.075 178 K CB 0.372 32.742 32.500 -0.216 0.000 0.845 178 K HN 0.264 nan 8.250 nan 0.000 0.529 179 I N 2.583 123.190 120.570 0.062 0.000 2.752 179 I HA -0.093 4.077 4.170 -0.001 0.000 0.287 179 I C 0.232 176.403 176.117 0.091 0.000 1.188 179 I CA 0.088 61.458 61.300 0.118 0.000 1.427 179 I CB 0.405 38.537 38.000 0.221 0.000 1.365 179 I HN -0.023 nan 8.210 nan 0.000 0.585 180 L N 5.934 127.229 121.223 0.120 0.000 2.326 180 L HA 0.241 4.580 4.340 -0.001 0.000 0.278 180 L C 0.642 177.617 176.870 0.175 0.000 1.092 180 L CA -0.420 54.506 54.840 0.144 0.000 0.810 180 L CB 1.101 43.288 42.059 0.213 0.000 1.153 180 L HN 0.673 nan 8.230 nan 0.000 0.439 181 S N 2.192 117.963 115.700 0.119 0.000 2.580 181 S HA 0.349 4.818 4.470 -0.001 0.000 0.274 181 S C -0.399 174.249 174.600 0.080 0.000 1.329 181 S CA -0.630 57.623 58.200 0.088 0.000 1.036 181 S CB 1.364 64.596 63.200 0.055 0.000 0.919 181 S HN 0.692 nan 8.310 nan 0.000 0.515 182 N N 1.042 119.758 118.700 0.028 0.000 2.406 182 N HA 0.363 5.103 4.740 -0.001 0.000 0.283 182 N C -2.022 173.462 175.510 -0.043 0.000 1.074 182 N CA -0.392 52.624 53.050 -0.057 0.000 0.916 182 N CB 1.710 40.080 38.487 -0.194 0.000 1.639 182 N HN 0.640 nan 8.380 nan 0.000 0.485 183 N N 3.971 122.649 118.700 -0.037 0.000 2.733 183 N HA 0.399 5.138 4.740 -0.001 0.000 0.271 183 N C -2.272 173.204 175.510 -0.056 0.000 1.720 183 N CA -1.636 51.390 53.050 -0.040 0.000 0.803 183 N CB 1.234 39.707 38.487 -0.023 0.000 1.208 183 N HN 0.401 nan 8.380 nan 0.000 0.498 184 P HA -0.075 nan 4.420 nan 0.000 0.217 184 P C 1.359 178.516 177.300 -0.239 0.000 1.151 184 P CA 1.039 64.029 63.100 -0.184 0.000 0.828 184 P CB 0.165 31.622 31.700 -0.406 0.000 0.788 185 S N 0.105 115.673 115.700 -0.221 0.000 2.419 185 S HA -0.202 4.267 4.470 -0.001 0.000 0.233 185 S C 2.024 176.538 174.600 -0.144 0.000 1.016 185 S CA 1.172 59.256 58.200 -0.193 0.000 0.974 185 S CB -0.981 62.132 63.200 -0.145 0.000 0.786 185 S HN 0.148 nan 8.310 nan 0.000 0.492 186 K N 1.690 122.026 120.400 -0.107 0.000 2.002 186 K HA -0.069 4.250 4.320 -0.001 0.000 0.209 186 K C 2.334 178.885 176.600 -0.082 0.000 1.048 186 K CA 1.521 57.757 56.287 -0.084 0.000 0.930 186 K CB -1.016 31.450 32.500 -0.056 0.000 0.714 186 K HN 0.453 nan 8.250 nan 0.000 0.438 187 G N 1.366 110.127 108.800 -0.065 0.000 2.418 187 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 187 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 187 G C 1.550 176.410 174.900 -0.068 0.000 1.158 187 G CA 0.792 45.870 45.100 -0.037 0.000 0.771 187 G HN 0.229 nan 8.290 nan 0.000 0.545 188 L N 0.787 121.937 121.223 -0.121 0.000 2.046 188 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 188 L C 3.398 180.152 176.870 -0.194 0.000 1.077 188 L CA 1.105 55.852 54.840 -0.156 0.000 0.747 188 L CB -0.446 41.486 42.059 -0.212 0.000 0.896 188 L HN 0.289 nan 8.230 nan 0.000 0.432 189 A N 0.054 122.762 122.820 -0.186 0.000 1.933 189 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 189 A C 2.269 179.761 177.584 -0.154 0.000 1.175 189 A CA 1.344 53.262 52.037 -0.198 0.000 0.628 189 A CB -0.690 18.211 19.000 -0.166 0.000 0.814 189 A HN 0.374 nan 8.150 nan 0.000 0.444 190 L N -0.836 120.322 121.223 -0.107 0.000 2.191 190 L HA -0.132 4.207 4.340 -0.001 0.000 0.212 190 L C 2.733 179.573 176.870 -0.050 0.000 1.103 190 L CA 0.943 55.743 54.840 -0.067 0.000 0.769 190 L CB -0.703 41.332 42.059 -0.039 0.000 0.908 190 L HN 0.520 nan 8.230 nan 0.000 0.438 191 G N 0.344 109.102 108.800 -0.070 0.000 2.404 191 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.214 191 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.214 191 G C 1.567 176.424 174.900 -0.070 0.000 1.189 191 G CA 0.407 45.471 45.100 -0.060 0.000 0.789 191 G HN 0.242 nan 8.290 nan 0.000 0.533 192 I N 1.586 122.073 120.570 -0.139 0.000 2.264 192 I HA -0.197 3.972 4.170 -0.001 0.000 0.248 192 I C 3.284 179.385 176.117 -0.027 0.000 1.111 192 I CA 0.913 62.135 61.300 -0.130 0.000 1.382 192 I CB -0.173 37.666 38.000 -0.269 0.000 1.060 192 I HN 0.245 nan 8.210 nan 0.000 0.418 193 A N 0.900 123.691 122.820 -0.048 0.000 1.883 193 A HA -0.300 4.019 4.320 -0.001 0.000 0.217 193 A C 2.336 180.013 177.584 0.154 0.000 1.186 193 A CA 2.262 54.306 52.037 0.013 0.000 0.624 193 A CB -0.570 18.405 19.000 -0.043 0.000 0.822 193 A HN 0.347 nan 8.150 nan 0.000 0.444 194 K N -0.241 120.212 120.400 0.089 0.000 2.032 194 K HA -0.076 4.243 4.320 -0.001 0.000 0.209 194 K C 2.070 178.745 176.600 0.125 0.000 1.048 194 K CA 1.583 57.932 56.287 0.103 0.000 0.927 194 K CB -0.432 32.108 32.500 0.067 0.000 0.712 194 K HN 0.341 nan 8.250 nan 0.000 0.441 195 A N -0.035 122.848 122.820 0.106 0.000 1.933 195 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 195 A C 2.009 179.687 177.584 0.157 0.000 1.175 195 A CA 1.551 53.651 52.037 0.104 0.000 0.628 195 A CB -1.043 17.993 19.000 0.060 0.000 0.814 195 A HN 0.754 nan 8.150 nan 0.000 0.444 196 W N 0.611 121.903 121.300 -0.013 0.000 2.409 196 W HA -0.069 4.589 4.660 -0.003 0.000 0.299 196 W C 1.948 178.498 176.519 0.052 0.000 1.203 196 W CA 1.587 58.927 57.345 -0.008 0.000 1.298 196 W CB -0.039 29.391 29.460 -0.051 0.000 1.127 196 W HN 0.439 nan 8.180 nan 0.000 0.528 197 E N 0.374 120.728 120.200 0.256 0.000 2.038 197 E HA -0.273 4.076 4.350 -0.001 0.000 0.195 197 E C 2.217 178.774 176.600 -0.071 0.000 1.000 197 E CA 2.039 58.482 56.400 0.071 0.000 0.803 197 E CB -0.696 29.122 29.700 0.195 0.000 0.750 197 E HN 0.328 nan 8.360 nan 0.000 0.448 198 L N -0.018 121.214 121.223 0.015 0.000 2.083 198 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 198 L C 2.513 179.370 176.870 -0.020 0.000 1.083 198 L CA 1.156 55.998 54.840 0.004 0.000 0.752 198 L CB -0.476 41.609 42.059 0.045 0.000 0.899 198 L HN 0.244 nan 8.230 nan 0.000 0.433 199 Y N 1.070 121.281 120.300 -0.147 0.000 2.207 199 Y HA -0.218 4.331 4.550 -0.002 0.000 0.287 199 Y C 1.779 177.541 175.900 -0.231 0.000 1.156 199 Y CA 1.430 59.429 58.100 -0.168 0.000 1.182 199 Y CB -0.288 38.042 38.460 -0.216 0.000 0.979 199 Y HN 0.281 nan 8.280 nan 0.000 0.521 200 G N -0.365 108.327 108.800 -0.180 0.000 2.136 200 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.242 200 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.242 200 G C 0.173 174.922 174.900 -0.251 0.000 0.989 200 G CA 0.396 45.343 45.100 -0.254 0.000 0.682 200 G HN 0.450 nan 8.290 nan 0.000 0.522 201 S N 0.800 116.362 115.700 -0.231 0.000 2.474 201 S HA 0.563 5.032 4.470 -0.001 0.000 0.320 201 S C -0.402 174.037 174.600 -0.269 0.000 1.067 201 S CA -0.897 57.209 58.200 -0.156 0.000 1.127 201 S CB 1.514 64.738 63.200 0.041 0.000 0.971 201 S HN 0.088 nan 8.310 nan 0.000 0.472 202 P HA -0.116 nan 4.420 nan 0.000 0.218 202 P C 0.539 177.970 177.300 0.217 0.000 1.152 202 P CA 1.235 64.347 63.100 0.020 0.000 0.857 202 P CB 0.156 31.885 31.700 0.049 0.000 0.787 203 N N -1.403 117.368 118.700 0.119 0.000 2.238 203 N HA 0.214 4.953 4.740 -0.001 0.000 0.222 203 N C 0.128 175.712 175.510 0.123 0.000 1.133 203 N CA -0.051 53.078 53.050 0.132 0.000 0.854 203 N CB 0.381 38.906 38.487 0.063 0.000 1.041 203 N HN 0.063 nan 8.380 nan 0.000 0.510 204 A N 0.718 123.620 122.820 0.136 0.000 2.316 204 A HA 0.608 4.927 4.320 -0.001 0.000 0.284 204 A C 0.337 178.063 177.584 0.238 0.000 1.115 204 A CA -0.337 51.726 52.037 0.043 0.000 0.812 204 A CB 0.645 19.540 19.000 -0.174 0.000 1.064 204 A HN 0.179 nan 8.150 nan 0.000 0.489 205 L N 1.212 122.480 121.223 0.075 0.000 2.400 205 L HA 0.525 4.864 4.340 -0.001 0.000 0.264 205 L C -0.293 176.604 176.870 0.044 0.000 1.061 205 L CA -1.046 53.846 54.840 0.086 0.000 0.799 205 L CB 1.240 43.302 42.059 0.005 0.000 1.240 205 L HN 0.376 nan 8.230 nan 0.000 0.461 206 V N 1.996 121.911 119.914 0.001 0.000 2.439 206 V HA 0.264 4.384 4.120 -0.001 0.000 0.282 206 V C -0.245 175.812 176.094 -0.062 0.000 1.039 206 V CA -0.443 61.836 62.300 -0.035 0.000 0.913 206 V CB 1.664 33.438 31.823 -0.081 0.000 0.983 206 V HN 0.389 nan 8.190 nan 0.000 0.460 207 L N 6.529 127.699 121.223 -0.089 0.000 2.287 207 L HA 0.584 4.923 4.340 -0.001 0.000 0.287 207 L C -0.717 176.074 176.870 -0.131 0.000 1.022 207 L CA 0.092 54.863 54.840 -0.115 0.000 0.814 207 L CB 1.195 43.168 42.059 -0.144 0.000 1.217 207 L HN 0.640 nan 8.230 nan 0.000 0.420 208 L N 6.087 127.238 121.223 -0.120 0.000 2.264 208 L HA 0.494 4.833 4.340 -0.001 0.000 0.289 208 L C -0.723 175.999 176.870 -0.247 0.000 1.044 208 L CA -0.449 54.304 54.840 -0.146 0.000 0.807 208 L CB 0.807 42.823 42.059 -0.072 0.000 1.192 208 L HN 0.557 nan 8.230 nan 0.000 0.425 209 I N 5.316 125.675 120.570 -0.353 0.000 2.301 209 I HA 0.453 4.622 4.170 -0.001 0.000 0.292 209 I C 0.275 176.179 176.117 -0.356 0.000 1.046 209 I CA -0.010 61.048 61.300 -0.403 0.000 1.282 209 I CB 0.789 38.478 38.000 -0.518 0.000 1.409 209 I HN 0.658 nan 8.210 nan 0.000 0.484 210 A N 6.589 129.220 122.820 -0.315 0.000 2.515 210 A HA 0.568 4.888 4.320 -0.001 0.000 0.298 210 A C -0.459 176.990 177.584 -0.226 0.000 1.059 210 A CA -0.651 51.236 52.037 -0.249 0.000 0.698 210 A CB 1.727 20.603 19.000 -0.207 0.000 1.289 210 A HN 0.660 nan 8.150 nan 0.000 0.404 211 Q N 0.121 119.810 119.800 -0.185 0.000 2.443 211 Q HA 0.146 4.486 4.340 -0.001 0.000 0.232 211 Q C 0.516 176.443 176.000 -0.123 0.000 1.026 211 Q CA -0.197 55.518 55.803 -0.146 0.000 0.924 211 Q CB 0.881 29.546 28.738 -0.121 0.000 1.256 211 Q HN 0.838 nan 8.270 nan 0.000 0.519 212 E N 1.071 121.211 120.200 -0.099 0.000 2.047 212 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 212 E C -0.247 176.305 176.600 -0.081 0.000 0.987 212 E CA 0.907 57.255 56.400 -0.086 0.000 0.799 212 E CB 0.144 29.804 29.700 -0.066 0.000 0.752 212 E HN 0.311 nan 8.360 nan 0.000 0.449 213 K N 1.984 122.341 120.400 -0.071 0.000 2.278 213 K HA 0.107 4.426 4.320 -0.001 0.000 0.289 213 K C -0.376 176.182 176.600 -0.070 0.000 1.080 213 K CA 0.121 56.372 56.287 -0.060 0.000 0.934 213 K CB 0.538 33.010 32.500 -0.048 0.000 1.093 213 K HN -0.081 nan 8.250 nan 0.000 0.459 214 E N 3.235 123.385 120.200 -0.083 0.000 2.409 214 E HA 0.125 4.475 4.350 -0.001 0.000 0.259 214 E C -0.010 176.531 176.600 -0.099 0.000 0.932 214 E CA -0.297 56.046 56.400 -0.096 0.000 0.809 214 E CB 0.567 30.185 29.700 -0.136 0.000 1.341 214 E HN 0.338 nan 8.360 nan 0.000 0.405 215 R N 2.369 122.839 120.500 -0.050 0.000 2.148 215 R HA 0.040 4.379 4.340 -0.001 0.000 0.223 215 R C 0.568 176.855 176.300 -0.022 0.000 1.088 215 R CA 0.756 56.848 56.100 -0.013 0.000 0.985 215 R CB 0.111 30.431 30.300 0.032 0.000 0.880 215 R HN 0.248 nan 8.270 nan 0.000 0.451 216 N N 1.208 119.865 118.700 -0.071 0.000 2.466 216 N HA 0.034 4.773 4.740 -0.001 0.000 0.251 216 N C 0.956 176.335 175.510 -0.218 0.000 1.164 216 N CA -0.042 52.939 53.050 -0.116 0.000 0.888 216 N CB -0.081 38.274 38.487 -0.219 0.000 1.177 216 N HN 0.210 nan 8.380 nan 0.000 0.498 217 I N -0.390 119.970 120.570 -0.350 0.000 2.286 217 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 217 I C 0.962 176.776 176.117 -0.505 0.000 1.115 217 I CA 1.264 62.274 61.300 -0.484 0.000 1.392 217 I CB -0.013 37.626 38.000 -0.602 0.000 1.065 217 I HN 0.070 nan 8.210 nan 0.000 0.418 218 F N 1.017 120.931 119.950 -0.060 0.000 2.161 218 F HA -0.255 4.271 4.527 -0.002 0.000 0.300 218 F C 2.211 177.971 175.800 -0.067 0.000 1.089 218 F CA 1.826 59.794 58.000 -0.053 0.000 1.282 218 F CB -1.128 37.854 39.000 -0.031 0.000 1.010 218 F HN 0.208 nan 8.300 nan 0.000 0.485 219 D N -0.370 120.045 120.400 0.025 0.000 2.144 219 D HA -0.162 4.478 4.640 -0.001 0.000 0.199 219 D C 2.037 178.287 176.300 -0.083 0.000 0.984 219 D CA 1.272 55.242 54.000 -0.050 0.000 0.834 219 D CB -0.050 40.632 40.800 -0.198 0.000 0.955 219 D HN 0.336 nan 8.370 nan 0.000 0.465 220 Q N -0.641 119.089 119.800 -0.117 0.000 2.083 220 Q HA -0.040 4.299 4.340 -0.001 0.000 0.198 220 Q C 2.243 178.207 176.000 -0.060 0.000 0.969 220 Q CA 0.663 56.415 55.803 -0.084 0.000 0.838 220 Q CB 0.073 28.729 28.738 -0.137 0.000 0.900 220 Q HN 0.163 nan 8.270 nan 0.000 0.436 221 R N 0.484 120.936 120.500 -0.080 0.000 2.139 221 R HA -0.118 4.221 4.340 -0.001 0.000 0.243 221 R C 2.097 178.375 176.300 -0.037 0.000 1.145 221 R CA 1.248 57.315 56.100 -0.054 0.000 0.976 221 R CB -0.789 29.498 30.300 -0.021 0.000 0.866 221 R HN 0.280 nan 8.270 nan 0.000 0.449 222 A N 1.371 124.177 122.820 -0.024 0.000 1.940 222 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 222 A C 2.117 179.659 177.584 -0.070 0.000 1.176 222 A CA 1.185 53.199 52.037 -0.038 0.000 0.631 222 A CB -0.300 18.677 19.000 -0.037 0.000 0.814 222 A HN 0.072 nan 8.150 nan 0.000 0.446 223 I N 0.240 120.768 120.570 -0.071 0.000 2.286 223 I HA -0.180 3.989 4.170 -0.001 0.000 0.245 223 I C 2.252 178.297 176.117 -0.119 0.000 1.104 223 I CA 1.340 62.576 61.300 -0.105 0.000 1.397 223 I CB -1.749 36.198 38.000 -0.087 0.000 1.072 223 I HN 0.473 nan 8.210 nan 0.000 0.417 224 E N 0.844 120.987 120.200 -0.094 0.000 2.160 224 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 224 E C 1.785 178.303 176.600 -0.138 0.000 0.991 224 E CA 1.138 57.467 56.400 -0.118 0.000 0.810 224 E CB -0.181 29.461 29.700 -0.096 0.000 0.742 224 E HN 0.518 nan 8.360 nan 0.000 0.466 225 N N 0.930 119.564 118.700 -0.110 0.000 2.142 225 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 225 N C 1.648 177.084 175.510 -0.124 0.000 1.023 225 N CA 0.851 53.837 53.050 -0.106 0.000 0.852 225 N CB -0.148 38.296 38.487 -0.072 0.000 0.998 225 N HN 0.181 nan 8.380 nan 0.000 0.424 226 E N 0.863 120.990 120.200 -0.122 0.000 2.110 226 E HA -0.067 4.282 4.350 -0.001 0.000 0.193 226 E C 2.211 178.710 176.600 -0.167 0.000 0.988 226 E CA 0.425 56.747 56.400 -0.129 0.000 0.804 226 E CB -0.216 29.410 29.700 -0.122 0.000 0.745 226 E HN 0.372 nan 8.360 nan 0.000 0.458 227 L N 0.422 121.525 121.223 -0.201 0.000 2.017 227 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 227 L C 2.643 179.330 176.870 -0.306 0.000 1.073 227 L CA 0.653 55.334 54.840 -0.265 0.000 0.745 227 L CB -0.522 41.363 42.059 -0.290 0.000 0.894 227 L HN 0.130 nan 8.230 nan 0.000 0.432 228 L N 0.468 121.513 121.223 -0.297 0.000 2.129 228 L HA -0.194 4.145 4.340 -0.001 0.000 0.212 228 L C 2.466 179.185 176.870 -0.251 0.000 1.087 228 L CA 1.929 56.564 54.840 -0.342 0.000 0.757 228 L CB -0.593 41.294 42.059 -0.286 0.000 0.896 228 L HN 0.176 nan 8.230 nan 0.000 0.434 229 A N -0.650 122.059 122.820 -0.186 0.000 2.168 229 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 229 A C 2.307 179.811 177.584 -0.134 0.000 1.152 229 A CA 1.194 53.149 52.037 -0.137 0.000 0.716 229 A CB -0.582 18.355 19.000 -0.105 0.000 0.794 229 A HN 0.567 nan 8.150 nan 0.000 0.465 230 R N -0.605 119.787 120.500 -0.179 0.000 2.546 230 R HA 0.142 4.481 4.340 -0.001 0.000 0.320 230 R C -0.348 175.819 176.300 -0.222 0.000 1.021 230 R CA 0.420 56.417 56.100 -0.171 0.000 1.088 230 R CB -0.546 29.646 30.300 -0.180 0.000 1.278 230 R HN 0.389 nan 8.270 nan 0.000 0.557 231 N N 0.232 118.796 118.700 -0.226 0.000 2.754 231 N HA -0.184 4.555 4.740 -0.001 0.000 0.248 231 N C -1.156 174.178 175.510 -0.294 0.000 1.093 231 N CA 1.030 53.965 53.050 -0.191 0.000 0.699 231 N CB -1.123 37.335 38.487 -0.047 0.000 1.016 231 N HN 0.321 nan 8.380 nan 0.000 0.552 232 I N 0.596 120.864 120.570 -0.503 0.000 2.362 232 I HA 0.253 4.422 4.170 -0.001 0.000 0.289 232 I C 0.136 175.967 176.117 -0.477 0.000 0.994 232 I CA -0.702 60.190 61.300 -0.679 0.000 1.158 232 I CB 0.906 38.303 38.000 -1.005 0.000 1.315 232 I HN 0.108 nan 8.210 nan 0.000 0.451 233 H N 4.225 123.131 119.070 -0.274 0.000 2.467 233 H HA 0.534 5.090 4.556 -0.000 0.000 0.331 233 H C -0.514 174.728 175.328 -0.144 0.000 1.120 233 H CA -0.395 55.554 56.048 -0.164 0.000 1.270 233 H CB 1.818 31.524 29.762 -0.093 0.000 1.466 233 H HN 0.191 nan 8.280 nan 0.000 0.504 234 V N 4.306 124.186 119.914 -0.056 0.000 2.581 234 V HA 0.376 4.495 4.120 -0.001 0.000 0.303 234 V C 0.006 176.081 176.094 -0.031 0.000 1.041 234 V CA -0.801 61.465 62.300 -0.057 0.000 0.907 234 V CB 1.493 33.265 31.823 -0.084 0.000 0.994 234 V HN 0.643 nan 8.190 nan 0.000 0.442 235 I N 1.652 122.198 120.570 -0.041 0.000 2.509 235 I HA 0.705 4.874 4.170 -0.001 0.000 0.293 235 I C -0.342 175.732 176.117 -0.073 0.000 1.020 235 I CA -0.913 60.360 61.300 -0.045 0.000 1.088 235 I CB 1.797 39.774 38.000 -0.039 0.000 1.267 235 I HN 0.433 nan 8.210 nan 0.000 0.430 236 R N 5.173 125.625 120.500 -0.081 0.000 2.346 236 R HA 0.728 5.067 4.340 -0.001 0.000 0.311 236 R C -0.716 175.517 176.300 -0.112 0.000 0.983 236 R CA -0.899 55.136 56.100 -0.109 0.000 0.880 236 R CB 1.342 31.574 30.300 -0.113 0.000 1.100 236 R HN 0.531 nan 8.270 nan 0.000 0.453 237 R N 0.524 120.937 120.500 -0.145 0.000 2.710 237 R HA 0.295 4.634 4.340 -0.001 0.000 0.270 237 R C -0.494 175.688 176.300 -0.197 0.000 1.021 237 R CA -0.746 55.273 56.100 -0.136 0.000 0.889 237 R CB 1.881 32.114 30.300 -0.112 0.000 1.243 237 R HN 0.827 nan 8.270 nan 0.000 0.464 238 T N -2.061 112.395 114.554 -0.164 0.000 2.902 238 T HA 0.364 4.714 4.350 -0.001 0.000 0.280 238 T C 1.292 175.892 174.700 -0.167 0.000 0.992 238 T CA -0.421 61.556 62.100 -0.205 0.000 1.015 238 T CB 0.455 69.257 68.868 -0.110 0.000 1.044 238 T HN 0.267 nan 8.240 nan 0.000 0.520 239 F N 0.867 120.775 119.950 -0.071 0.000 2.126 239 F HA 0.031 4.558 4.527 -0.001 0.000 0.299 239 F C 2.489 178.271 175.800 -0.030 0.000 1.096 239 F CA 1.497 59.469 58.000 -0.047 0.000 1.255 239 F CB -0.968 37.969 39.000 -0.105 0.000 0.997 239 F HN 0.632 nan 8.300 nan 0.000 0.479 240 E N 0.156 120.442 120.200 0.144 0.000 2.097 240 E HA -0.204 4.145 4.350 -0.001 0.000 0.196 240 E C 1.849 178.481 176.600 0.055 0.000 1.000 240 E CA 1.590 58.037 56.400 0.078 0.000 0.804 240 E CB -0.442 29.281 29.700 0.038 0.000 0.740 240 E HN 0.314 nan 8.360 nan 0.000 0.454 241 D N -0.067 120.348 120.400 0.025 0.000 2.178 241 D HA -0.120 4.519 4.640 -0.001 0.000 0.201 241 D C 1.730 178.051 176.300 0.035 0.000 0.980 241 D CA 0.672 54.680 54.000 0.013 0.000 0.842 241 D CB -0.021 40.768 40.800 -0.019 0.000 0.948 241 D HN 0.145 nan 8.370 nan 0.000 0.472 242 I N 0.831 121.437 120.570 0.060 0.000 2.315 242 I HA -0.147 4.023 4.170 -0.001 0.000 0.248 242 I C 2.292 178.466 176.117 0.095 0.000 1.117 242 I CA 0.840 62.190 61.300 0.084 0.000 1.404 242 I CB -0.988 37.090 38.000 0.130 0.000 1.071 242 I HN -0.132 nan 8.210 nan 0.000 0.419 243 S N 0.006 115.767 115.700 0.102 0.000 2.383 243 S HA -0.176 4.293 4.470 -0.001 0.000 0.227 243 S C 1.938 176.577 174.600 0.066 0.000 1.026 243 S CA 1.049 59.303 58.200 0.090 0.000 0.981 243 S CB -0.076 63.176 63.200 0.086 0.000 0.818 243 S HN 0.472 nan 8.310 nan 0.000 0.472 244 E N 0.525 120.758 120.200 0.055 0.000 2.170 244 E HA 0.016 4.365 4.350 -0.001 0.000 0.191 244 E C 0.947 177.572 176.600 0.041 0.000 0.981 244 E CA 0.732 57.156 56.400 0.041 0.000 0.830 244 E CB 0.195 29.913 29.700 0.031 0.000 0.775 244 E HN 0.318 nan 8.360 nan 0.000 0.470 245 K N -0.764 119.663 120.400 0.045 0.000 2.483 245 K HA 0.223 4.543 4.320 -0.001 0.000 0.206 245 K C 0.108 176.745 176.600 0.063 0.000 1.086 245 K CA -0.118 56.197 56.287 0.047 0.000 1.052 245 K CB 1.837 34.358 32.500 0.035 0.000 0.904 245 K HN -0.053 nan 8.250 nan 0.000 0.557 246 G N 0.974 109.817 108.800 0.072 0.000 2.412 246 G HA2 0.478 4.437 3.960 -0.001 0.000 0.318 246 G HA3 0.478 4.437 3.960 -0.001 0.000 0.318 246 G C -0.488 174.472 174.900 0.100 0.000 1.146 246 G CA -0.285 44.868 45.100 0.089 0.000 0.882 246 G HN 0.079 nan 8.290 nan 0.000 0.501 247 S N 0.202 115.978 115.700 0.127 0.000 2.565 247 S HA 0.657 5.126 4.470 -0.001 0.000 0.269 247 S C -1.164 173.541 174.600 0.174 0.000 1.153 247 S CA -0.926 57.349 58.200 0.125 0.000 0.835 247 S CB 1.243 64.501 63.200 0.098 0.000 1.122 247 S HN 0.566 nan 8.310 nan 0.000 0.462 248 L N 2.307 123.619 121.223 0.148 0.000 2.334 248 L HA 0.550 4.890 4.340 -0.001 0.000 0.273 248 L C 0.263 177.227 176.870 0.158 0.000 1.013 248 L CA -0.941 54.006 54.840 0.179 0.000 0.816 248 L CB 1.495 43.635 42.059 0.135 0.000 1.278 248 L HN 0.957 nan 8.230 nan 0.000 0.431 249 D N 0.690 121.213 120.400 0.205 0.000 2.312 249 D HA 0.016 4.655 4.640 -0.001 0.000 0.290 249 D C 0.782 177.127 176.300 0.075 0.000 1.170 249 D CA 0.165 54.221 54.000 0.093 0.000 1.085 249 D CB 0.352 41.181 40.800 0.049 0.000 1.154 249 D HN 0.474 nan 8.370 nan 0.000 0.535 250 Q N -1.261 118.570 119.800 0.052 0.000 2.204 250 Q HA 0.043 4.382 4.340 -0.001 0.000 0.198 250 Q C 0.507 176.544 176.000 0.061 0.000 0.946 250 Q CA 0.853 56.681 55.803 0.043 0.000 0.859 250 Q CB 0.273 29.022 28.738 0.019 0.000 0.946 250 Q HN 0.416 nan 8.270 nan 0.000 0.474 251 D N 0.286 120.729 120.400 0.072 0.000 2.325 251 D HA 0.063 4.702 4.640 -0.001 0.000 0.234 251 D C -0.335 176.050 176.300 0.142 0.000 1.122 251 D CA 0.121 54.170 54.000 0.081 0.000 0.850 251 D CB 0.221 41.038 40.800 0.028 0.000 0.921 251 D HN 0.114 nan 8.370 nan 0.000 0.513 252 R N 0.210 120.798 120.500 0.146 0.000 3.656 252 R HA -0.178 4.161 4.340 -0.001 0.000 0.297 252 R C -0.232 176.199 176.300 0.219 0.000 1.166 252 R CA 0.406 56.608 56.100 0.171 0.000 0.799 252 R CB -1.722 28.669 30.300 0.152 0.000 1.285 252 R HN 0.248 nan 8.270 nan 0.000 0.477 253 R N 0.780 121.420 120.500 0.232 0.000 2.438 253 R HA 0.228 4.567 4.340 -0.001 0.000 0.287 253 R C 0.260 176.687 176.300 0.213 0.000 1.077 253 R CA -0.717 55.520 56.100 0.228 0.000 1.034 253 R CB 0.576 31.022 30.300 0.244 0.000 0.993 253 R HN -0.024 nan 8.270 nan 0.000 0.459 254 L N 3.681 124.915 121.223 0.018 0.000 2.305 254 L HA 0.367 4.706 4.340 -0.001 0.000 0.281 254 L C -1.249 175.483 176.870 -0.229 0.000 1.085 254 L CA 0.307 55.145 54.840 -0.002 0.000 0.813 254 L CB 0.349 42.385 42.059 -0.038 0.000 1.157 254 L HN 0.379 nan 8.230 nan 0.000 0.436 255 F N 4.192 124.158 119.950 0.026 0.000 2.540 255 F HA 0.625 5.151 4.527 -0.002 0.000 0.317 255 F C -0.380 175.425 175.800 0.009 0.000 1.104 255 F CA -0.682 57.326 58.000 0.014 0.000 0.913 255 F CB 2.191 41.201 39.000 0.016 0.000 1.170 255 F HN 0.105 nan 8.300 nan 0.000 0.450 256 V N 2.815 122.802 119.914 0.121 0.000 2.483 256 V HA 0.287 4.406 4.120 -0.001 0.000 0.297 256 V C -0.703 175.441 176.094 0.083 0.000 1.027 256 V CA -1.189 61.156 62.300 0.076 0.000 0.855 256 V CB 1.508 33.339 31.823 0.013 0.000 0.995 256 V HN 0.840 nan 8.190 nan 0.000 0.424 257 D N 3.968 124.412 120.400 0.075 0.000 2.751 257 D HA -0.217 4.422 4.640 -0.001 0.000 0.233 257 D C 1.343 177.692 176.300 0.082 0.000 1.149 257 D CA 1.578 55.613 54.000 0.058 0.000 0.682 257 D CB -1.137 39.683 40.800 0.034 0.000 1.068 257 D HN 1.477 nan 8.370 nan 0.000 0.429 258 G N -0.656 108.224 108.800 0.134 0.000 2.184 258 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.264 258 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.264 258 G C 0.169 175.244 174.900 0.291 0.000 0.975 258 G CA 0.753 45.953 45.100 0.166 0.000 0.642 258 G HN 0.569 nan 8.290 nan 0.000 0.536 259 Q N 0.384 120.313 119.800 0.216 0.000 2.245 259 Q HA 0.565 4.905 4.340 -0.001 0.000 0.256 259 Q C -0.409 175.572 176.000 -0.031 0.000 0.942 259 Q CA -0.717 55.166 55.803 0.134 0.000 0.896 259 Q CB 1.995 30.755 28.738 0.037 0.000 1.272 259 Q HN 0.462 nan 8.270 nan 0.000 0.442 260 E N 2.776 122.840 120.200 -0.226 0.000 2.259 260 E HA 0.148 4.497 4.350 -0.001 0.000 0.281 260 E C -0.602 175.747 176.600 -0.419 0.000 1.037 260 E CA -0.517 55.465 56.400 -0.698 0.000 0.854 260 E CB 0.634 29.952 29.700 -0.638 0.000 1.051 260 E HN 0.422 nan 8.360 nan 0.000 0.409 261 I N 3.926 124.223 120.570 -0.455 0.000 2.342 261 I HA 0.118 4.287 4.170 -0.001 0.000 0.291 261 I C 0.918 176.704 176.117 -0.553 0.000 1.010 261 I CA 0.025 61.114 61.300 -0.351 0.000 1.308 261 I CB 0.690 38.544 38.000 -0.245 0.000 1.400 261 I HN 0.628 nan 8.210 nan 0.000 0.488 262 A N 6.387 128.858 122.820 -0.582 0.000 1.942 262 A HA 0.324 4.643 4.320 -0.001 0.000 0.209 262 A C 0.700 178.022 177.584 -0.436 0.000 1.214 262 A CA 0.531 51.984 52.037 -0.973 0.000 0.686 262 A CB 0.356 18.899 19.000 -0.762 0.000 0.871 262 A HN 0.461 nan 8.150 nan 0.000 0.460 263 V N 0.351 120.148 119.914 -0.196 0.000 2.709 263 V HA 0.464 4.583 4.120 -0.001 0.000 0.308 263 V C -1.077 174.947 176.094 -0.117 0.000 1.062 263 V CA -0.686 61.553 62.300 -0.102 0.000 0.901 263 V CB 1.885 33.688 31.823 -0.034 0.000 1.003 263 V HN 0.030 nan 8.190 nan 0.000 0.425 264 V N 4.307 124.140 119.914 -0.135 0.000 2.313 264 V HA 0.321 4.440 4.120 -0.001 0.000 0.278 264 V C -0.984 174.932 176.094 -0.298 0.000 1.017 264 V CA -0.630 61.500 62.300 -0.284 0.000 0.823 264 V CB 1.078 32.680 31.823 -0.369 0.000 1.010 264 V HN 0.776 nan 8.190 nan 0.000 0.443 265 Y N 6.419 126.490 120.300 -0.382 0.000 2.518 265 Y HA 0.586 5.135 4.550 -0.002 0.000 0.344 265 Y C -0.499 175.235 175.900 -0.276 0.000 0.982 265 Y CA -2.182 55.772 58.100 -0.243 0.000 1.234 265 Y CB 0.452 38.819 38.460 -0.155 0.000 1.114 265 Y HN 0.519 nan 8.280 nan 0.000 0.515 266 F N 6.012 125.887 119.950 -0.125 0.000 2.472 266 F HA 0.360 4.886 4.527 -0.001 0.000 0.364 266 F C 1.179 176.756 175.800 -0.373 0.000 1.090 266 F CA -0.097 57.781 58.000 -0.204 0.000 1.188 266 F CB 0.774 39.779 39.000 0.008 0.000 1.105 266 F HN 0.361 nan 8.300 nan 0.000 0.536 267 R N 0.790 121.176 120.500 -0.190 0.000 2.404 267 R HA 0.162 4.501 4.340 -0.001 0.000 0.237 267 R C -0.462 175.863 176.300 0.042 0.000 0.907 267 R CA 0.027 56.012 56.100 -0.192 0.000 1.063 267 R CB -0.035 30.073 30.300 -0.321 0.000 1.134 267 R HN 0.602 nan 8.270 nan 0.000 0.529 268 D N -1.733 118.705 120.400 0.064 0.000 2.566 268 D HA 0.459 5.098 4.640 -0.001 0.000 0.254 268 D C 0.291 176.671 176.300 0.134 0.000 1.090 268 D CA 0.418 54.440 54.000 0.038 0.000 1.034 268 D CB 1.390 42.081 40.800 -0.183 0.000 1.434 268 D HN 0.087 nan 8.370 nan 0.000 0.509 269 G N 0.421 109.176 108.800 -0.075 0.000 2.142 269 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.225 269 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.225 269 G C 0.301 175.314 174.900 0.189 0.000 1.015 269 G CA 0.696 45.764 45.100 -0.054 0.000 0.716 269 G HN 0.496 nan 8.290 nan 0.000 0.508 270 Y N -2.342 118.067 120.300 0.182 0.000 2.467 270 Y HA 0.813 5.362 4.550 -0.002 0.000 0.250 270 Y C 0.779 176.770 175.900 0.151 0.000 1.155 270 Y CA -1.035 57.209 58.100 0.240 0.000 1.249 270 Y CB 0.340 38.879 38.460 0.131 0.000 1.146 270 Y HN 0.176 nan 8.280 nan 0.000 0.524 271 M N 1.639 121.032 119.600 -0.344 0.000 2.501 271 M HA 0.345 4.825 4.480 -0.001 0.000 0.293 271 M C -2.071 173.894 176.300 -0.557 0.000 1.192 271 M CA -2.865 52.109 55.300 -0.544 0.000 0.886 271 M CB 2.081 34.439 32.600 -0.403 0.000 1.710 271 M HN -0.250 nan 8.290 nan 0.000 0.457 272 P HA -0.171 nan 4.420 nan 0.000 0.215 272 P C 0.986 178.251 177.300 -0.058 0.000 1.153 272 P CA 1.725 64.655 63.100 -0.283 0.000 0.853 272 P CB -0.186 31.380 31.700 -0.223 0.000 0.788 273 R N 0.461 120.877 120.500 -0.140 0.000 2.249 273 R HA -0.131 4.208 4.340 -0.001 0.000 0.230 273 R C 1.826 178.041 176.300 -0.142 0.000 1.121 273 R CA 1.231 57.269 56.100 -0.104 0.000 0.997 273 R CB -1.284 28.947 30.300 -0.116 0.000 0.867 273 R HN 0.268 nan 8.270 nan 0.000 0.465 274 Q N -0.254 119.407 119.800 -0.232 0.000 2.444 274 Q HA 0.079 4.418 4.340 -0.001 0.000 0.206 274 Q C -0.629 175.056 176.000 -0.526 0.000 0.948 274 Q CA 0.425 56.012 55.803 -0.361 0.000 0.946 274 Q CB 0.352 28.793 28.738 -0.495 0.000 1.027 274 Q HN 0.367 nan 8.270 nan 0.000 0.513 275 Y N 0.156 120.240 120.300 -0.360 0.000 2.326 275 Y HA 0.245 4.795 4.550 -0.001 0.000 0.331 275 Y C 0.243 175.957 175.900 -0.309 0.000 0.962 275 Y CA -0.989 56.766 58.100 -0.575 0.000 1.167 275 Y CB 1.444 39.146 38.460 -1.264 0.000 1.148 275 Y HN -0.066 nan 8.280 nan 0.000 0.463 276 S N 1.738 117.400 115.700 -0.063 0.000 2.694 276 S HA 0.271 4.741 4.470 -0.001 0.000 0.278 276 S C 0.853 175.551 174.600 0.163 0.000 1.152 276 S CA -0.756 57.481 58.200 0.062 0.000 1.010 276 S CB 0.962 64.181 63.200 0.031 0.000 1.104 276 S HN 0.669 nan 8.310 nan 0.000 0.547 277 L N 0.793 122.135 121.223 0.197 0.000 2.046 277 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 277 L C 2.680 179.670 176.870 0.200 0.000 1.077 277 L CA 1.852 56.837 54.840 0.242 0.000 0.747 277 L CB -0.929 41.217 42.059 0.145 0.000 0.896 277 L HN 0.772 nan 8.230 nan 0.000 0.432 278 Q N -1.096 118.776 119.800 0.120 0.000 2.172 278 Q HA -0.136 4.203 4.340 -0.001 0.000 0.200 278 Q C 1.806 177.854 176.000 0.081 0.000 0.964 278 Q CA 1.176 57.038 55.803 0.097 0.000 0.855 278 Q CB -0.123 28.658 28.738 0.071 0.000 0.918 278 Q HN 0.561 nan 8.270 nan 0.000 0.444 279 N N 0.048 118.756 118.700 0.014 0.000 2.244 279 N HA -0.156 4.583 4.740 -0.001 0.000 0.183 279 N C 1.139 176.554 175.510 -0.158 0.000 1.016 279 N CA 0.950 53.907 53.050 -0.155 0.000 0.866 279 N CB -0.300 37.958 38.487 -0.381 0.000 0.980 279 N HN 0.353 nan 8.380 nan 0.000 0.430 280 W N 1.853 123.173 121.300 0.032 0.000 2.358 280 W HA -0.091 4.569 4.660 -0.001 0.000 0.303 280 W C 2.179 178.682 176.519 -0.026 0.000 1.208 280 W CA 0.516 57.848 57.345 -0.022 0.000 1.274 280 W CB -0.064 29.357 29.460 -0.067 0.000 1.138 280 W HN 0.168 nan 8.180 nan 0.000 0.515 281 E N -0.023 120.315 120.200 0.230 0.000 2.110 281 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 281 E C 2.278 178.964 176.600 0.144 0.000 0.988 281 E CA 1.212 57.704 56.400 0.153 0.000 0.804 281 E CB -0.479 29.292 29.700 0.118 0.000 0.745 281 E HN 0.263 nan 8.360 nan 0.000 0.458 282 A N 1.569 124.471 122.820 0.137 0.000 1.930 282 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 282 A C 2.145 179.870 177.584 0.236 0.000 1.175 282 A CA 1.482 53.632 52.037 0.187 0.000 0.627 282 A CB -0.317 18.828 19.000 0.242 0.000 0.815 282 A HN 0.015 nan 8.150 nan 0.000 0.443 283 R N -0.273 120.316 120.500 0.149 0.000 2.081 283 R HA -0.087 4.252 4.340 -0.001 0.000 0.235 283 R C 1.864 178.306 176.300 0.236 0.000 1.131 283 R CA 1.666 57.910 56.100 0.240 0.000 0.960 283 R CB -0.914 29.449 30.300 0.106 0.000 0.856 283 R HN 0.430 nan 8.270 nan 0.000 0.436 284 L N 0.268 121.604 121.223 0.187 0.000 2.017 284 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 284 L C 2.089 179.045 176.870 0.143 0.000 1.073 284 L CA 1.800 56.725 54.840 0.142 0.000 0.745 284 L CB -0.830 41.291 42.059 0.104 0.000 0.894 284 L HN 0.375 nan 8.230 nan 0.000 0.432 285 L N -0.996 120.316 121.223 0.149 0.000 2.043 285 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 285 L C 2.326 179.291 176.870 0.158 0.000 1.075 285 L CA 1.934 56.858 54.840 0.140 0.000 0.752 285 L CB -0.369 41.770 42.059 0.134 0.000 0.891 285 L HN 0.335 nan 8.230 nan 0.000 0.432 286 L N -0.781 120.567 121.223 0.208 0.000 2.093 286 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 286 L C 2.603 179.600 176.870 0.212 0.000 1.085 286 L CA 0.932 55.901 54.840 0.215 0.000 0.755 286 L CB -0.744 41.510 42.059 0.325 0.000 0.904 286 L HN 0.272 nan 8.230 nan 0.000 0.435 287 E N 0.374 120.712 120.200 0.231 0.000 2.204 287 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 287 E C 2.237 178.917 176.600 0.133 0.000 0.989 287 E CA 0.808 57.324 56.400 0.194 0.000 0.824 287 E CB -0.111 29.694 29.700 0.176 0.000 0.756 287 E HN 0.499 nan 8.360 nan 0.000 0.477 288 R N 1.304 121.874 120.500 0.117 0.000 2.189 288 R HA -0.012 4.327 4.340 -0.001 0.000 0.218 288 R C 1.626 177.981 176.300 0.090 0.000 1.074 288 R CA 0.472 56.626 56.100 0.090 0.000 0.991 288 R CB -0.130 30.218 30.300 0.080 0.000 0.883 288 R HN 0.041 nan 8.270 nan 0.000 0.457 289 S N -0.263 115.501 115.700 0.107 0.000 2.608 289 S HA -0.057 4.413 4.470 -0.001 0.000 0.261 289 S C 0.939 175.607 174.600 0.113 0.000 1.314 289 S CA -0.462 57.810 58.200 0.120 0.000 0.992 289 S CB 0.972 64.241 63.200 0.116 0.000 0.935 289 S HN 0.238 nan 8.310 nan 0.000 0.564 290 H N 0.552 119.671 119.070 0.081 0.000 2.551 290 H HA 0.329 4.884 4.556 -0.001 0.000 0.266 290 H C 0.965 176.386 175.328 0.154 0.000 0.977 290 H CA 0.708 56.810 56.048 0.089 0.000 1.163 290 H CB -0.549 29.274 29.762 0.101 0.000 1.381 290 H HN 0.767 nan 8.280 nan 0.000 0.581 291 A N 0.698 123.651 122.820 0.223 0.000 2.351 291 A HA 0.530 4.849 4.320 -0.001 0.000 0.257 291 A C 0.308 177.909 177.584 0.028 0.000 1.087 291 A CA 0.133 52.232 52.037 0.104 0.000 0.798 291 A CB 0.103 19.056 19.000 -0.078 0.000 1.033 291 A HN 0.424 nan 8.150 nan 0.000 0.488 292 A N 2.233 125.055 122.820 0.003 0.000 2.462 292 A HA 0.481 4.800 4.320 -0.001 0.000 0.243 292 A C 0.283 177.861 177.584 -0.010 0.000 1.076 292 A CA 0.041 52.046 52.037 -0.054 0.000 0.773 292 A CB 0.081 19.062 19.000 -0.031 0.000 1.010 292 A HN 0.683 nan 8.150 nan 0.000 0.493 293 K N 0.856 121.285 120.400 0.047 0.000 2.259 293 K HA 0.456 4.775 4.320 -0.001 0.000 0.252 293 K C -1.379 175.347 176.600 0.211 0.000 0.936 293 K CA -0.343 56.037 56.287 0.155 0.000 0.810 293 K CB 1.849 34.534 32.500 0.307 0.000 1.143 293 K HN 0.580 nan 8.250 nan 0.000 0.427 294 C N 5.229 124.684 119.300 0.259 0.000 2.362 294 C HA 0.413 4.873 4.460 -0.001 0.000 0.309 294 C C -2.404 172.873 174.990 0.478 0.000 1.110 294 C CA -1.820 57.380 59.018 0.303 0.000 1.485 294 C CB 0.173 28.069 27.740 0.261 0.000 1.949 294 C HN 0.587 nan 8.230 nan 0.000 0.419 295 P HA 0.304 nan 4.420 nan 0.000 0.278 295 P C -0.727 176.774 177.300 0.335 0.000 1.258 295 P CA 0.028 63.307 63.100 0.298 0.000 0.811 295 P CB 1.026 32.862 31.700 0.226 0.000 1.063 296 D N -0.142 120.434 120.400 0.293 0.000 2.358 296 D HA 0.039 4.678 4.640 -0.001 0.000 0.244 296 D C 1.457 177.872 176.300 0.191 0.000 1.163 296 D CA -0.613 53.558 54.000 0.285 0.000 0.945 296 D CB 0.209 41.202 40.800 0.321 0.000 1.152 296 D HN 0.073 nan 8.370 nan 0.000 0.451 297 I N 0.296 120.955 120.570 0.148 0.000 2.315 297 I HA -0.295 3.874 4.170 -0.001 0.000 0.251 297 I C 1.968 178.095 176.117 0.016 0.000 1.125 297 I CA 1.502 62.842 61.300 0.067 0.000 1.392 297 I CB -0.959 37.082 38.000 0.068 0.000 1.065 297 I HN 0.628 nan 8.210 nan 0.000 0.424 298 A N -0.545 122.291 122.820 0.026 0.000 1.929 298 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 298 A C 2.231 179.809 177.584 -0.010 0.000 1.176 298 A CA 1.985 53.950 52.037 -0.120 0.000 0.628 298 A CB -0.870 18.093 19.000 -0.062 0.000 0.816 298 A HN 0.430 nan 8.150 nan 0.000 0.444 299 T N -0.538 114.069 114.554 0.088 0.000 2.951 299 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 299 T C 2.001 176.771 174.700 0.116 0.000 1.073 299 T CA 1.418 63.600 62.100 0.137 0.000 1.134 299 T CB -0.128 68.868 68.868 0.214 0.000 0.884 299 T HN 0.674 nan 8.240 nan 0.000 0.479 300 Q N 0.475 120.327 119.800 0.087 0.000 2.119 300 Q HA 0.015 4.354 4.340 -0.001 0.000 0.201 300 Q C 2.144 178.174 176.000 0.050 0.000 0.972 300 Q CA 1.016 56.864 55.803 0.075 0.000 0.847 300 Q CB -0.236 28.529 28.738 0.045 0.000 0.903 300 Q HN 0.465 nan 8.270 nan 0.000 0.433 301 L N 0.188 121.415 121.223 0.007 0.000 2.141 301 L HA -0.083 4.256 4.340 -0.001 0.000 0.209 301 L C 2.448 179.333 176.870 0.025 0.000 1.094 301 L CA 0.793 55.627 54.840 -0.011 0.000 0.763 301 L CB -0.459 41.557 42.059 -0.071 0.000 0.908 301 L HN 0.281 nan 8.230 nan 0.000 0.437 302 A N 0.029 122.881 122.820 0.053 0.000 2.125 302 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 302 A C 2.126 179.767 177.584 0.095 0.000 1.156 302 A CA 1.401 53.497 52.037 0.099 0.000 0.671 302 A CB -0.789 18.286 19.000 0.125 0.000 0.794 302 A HN 0.441 nan 8.150 nan 0.000 0.459 303 G N -0.191 108.658 108.800 0.082 0.000 3.141 303 G HA2 0.263 4.222 3.960 -0.001 0.000 0.218 303 G HA3 0.263 4.222 3.960 -0.001 0.000 0.218 303 G C 0.773 175.703 174.900 0.051 0.000 1.170 303 G CA 0.617 45.758 45.100 0.070 0.000 0.769 303 G HN 0.582 nan 8.290 nan 0.000 0.546 304 T N -1.583 112.998 114.554 0.044 0.000 2.900 304 T HA 0.245 4.594 4.350 -0.001 0.000 0.307 304 T C 1.315 176.020 174.700 0.008 0.000 1.065 304 T CA -0.429 61.689 62.100 0.030 0.000 1.105 304 T CB 1.704 70.577 68.868 0.008 0.000 0.979 304 T HN -0.121 nan 8.240 nan 0.000 0.544 305 K N 1.197 121.596 120.400 -0.000 0.000 2.097 305 K HA -0.058 4.261 4.320 -0.001 0.000 0.205 305 K C 2.102 178.685 176.600 -0.029 0.000 1.050 305 K CA 1.316 57.592 56.287 -0.018 0.000 0.938 305 K CB -0.522 31.971 32.500 -0.010 0.000 0.718 305 K HN 0.704 nan 8.250 nan 0.000 0.442 306 K N 1.286 121.668 120.400 -0.030 0.000 2.009 306 K HA -0.086 4.233 4.320 -0.001 0.000 0.210 306 K C 1.960 178.533 176.600 -0.045 0.000 1.049 306 K CA 1.247 57.508 56.287 -0.044 0.000 0.929 306 K CB -0.501 31.959 32.500 -0.066 0.000 0.714 306 K HN -0.118 nan 8.250 nan 0.000 0.440 307 V N 1.298 121.193 119.914 -0.033 0.000 2.332 307 V HA -0.276 3.843 4.120 -0.001 0.000 0.248 307 V C 2.622 178.740 176.094 0.040 0.000 1.055 307 V CA 2.261 64.570 62.300 0.016 0.000 1.038 307 V CB -0.589 31.271 31.823 0.062 0.000 0.651 307 V HN 0.535 nan 8.190 nan 0.000 0.450 308 Q N -0.481 119.311 119.800 -0.012 0.000 2.061 308 Q HA -0.292 4.048 4.340 -0.001 0.000 0.204 308 Q C 2.452 178.362 176.000 -0.150 0.000 0.984 308 Q CA 2.133 57.886 55.803 -0.085 0.000 0.846 308 Q CB -0.235 28.441 28.738 -0.104 0.000 0.902 308 Q HN 0.681 nan 8.270 nan 0.000 0.421 309 Q N 0.246 119.985 119.800 -0.103 0.000 2.050 309 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 309 Q C 1.745 177.707 176.000 -0.064 0.000 0.980 309 Q CA 1.534 57.273 55.803 -0.108 0.000 0.840 309 Q CB -0.111 28.588 28.738 -0.065 0.000 0.898 309 Q HN 0.411 nan 8.270 nan 0.000 0.424 310 E N 0.730 120.926 120.200 -0.006 0.000 2.130 310 E HA -0.156 4.193 4.350 -0.001 0.000 0.196 310 E C 2.219 178.899 176.600 0.132 0.000 0.998 310 E CA 0.886 57.327 56.400 0.068 0.000 0.806 310 E CB -0.296 29.443 29.700 0.065 0.000 0.738 310 E HN 0.437 nan 8.360 nan 0.000 0.459 311 L N 1.282 122.577 121.223 0.120 0.000 2.450 311 L HA -0.124 4.216 4.340 -0.001 0.000 0.224 311 L C 2.282 179.216 176.870 0.107 0.000 1.149 311 L CA 1.022 55.930 54.840 0.113 0.000 0.816 311 L CB -0.361 41.733 42.059 0.058 0.000 0.932 311 L HN 0.100 nan 8.230 nan 0.000 0.449 312 S N -1.495 114.201 115.700 -0.007 0.000 2.528 312 S HA 0.040 4.509 4.470 -0.001 0.000 0.219 312 S C 0.989 175.679 174.600 0.150 0.000 0.985 312 S CA -0.359 57.913 58.200 0.121 0.000 0.914 312 S CB -0.093 63.089 63.200 -0.030 0.000 0.776 312 S HN 0.300 nan 8.310 nan 0.000 0.526 313 R N 2.733 123.293 120.500 0.100 0.000 2.522 313 R HA 0.230 4.569 4.340 -0.001 0.000 0.284 313 R C -2.671 173.687 176.300 0.096 0.000 1.032 313 R CA -1.486 54.669 56.100 0.092 0.000 1.049 313 R CB -0.437 29.915 30.300 0.087 0.000 0.956 313 R HN 0.216 nan 8.270 nan 0.000 0.422 314 P HA -0.113 nan 4.420 nan 0.000 0.264 314 P C 0.775 178.106 177.300 0.052 0.000 1.179 314 P CA 0.977 64.114 63.100 0.062 0.000 0.763 314 P CB 0.507 32.239 31.700 0.052 0.000 0.806 315 G N 1.939 110.760 108.800 0.036 0.000 2.257 315 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.267 315 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.267 315 G C 0.968 175.881 174.900 0.022 0.000 0.984 315 G CA 0.682 45.797 45.100 0.024 0.000 0.626 315 G HN 0.481 nan 8.290 nan 0.000 0.540 316 M N 0.268 119.894 119.600 0.043 0.000 2.132 316 M HA 0.345 4.825 4.480 -0.001 0.000 0.263 316 M C 2.452 178.733 176.300 -0.033 0.000 1.065 316 M CA 1.759 57.074 55.300 0.025 0.000 1.122 316 M CB -0.478 32.176 32.600 0.090 0.000 1.365 316 M HN 0.363 nan 8.290 nan 0.000 0.411 317 L N -0.725 120.502 121.223 0.008 0.000 2.017 317 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 317 L C 2.172 179.005 176.870 -0.062 0.000 1.073 317 L CA 1.332 56.158 54.840 -0.024 0.000 0.745 317 L CB -0.730 41.318 42.059 -0.018 0.000 0.894 317 L HN 0.228 nan 8.230 nan 0.000 0.432 318 E N -0.135 120.039 120.200 -0.043 0.000 2.070 318 E HA -0.309 4.040 4.350 -0.001 0.000 0.197 318 E C 2.087 178.655 176.600 -0.054 0.000 1.004 318 E CA 1.913 58.286 56.400 -0.045 0.000 0.805 318 E CB -0.298 29.385 29.700 -0.027 0.000 0.744 318 E HN 0.445 nan 8.360 nan 0.000 0.451 319 M N -0.279 119.287 119.600 -0.058 0.000 2.394 319 M HA -0.065 4.414 4.480 -0.001 0.000 0.264 319 M C 1.406 177.641 176.300 -0.109 0.000 1.073 319 M CA 1.339 56.599 55.300 -0.067 0.000 1.111 319 M CB 0.184 32.753 32.600 -0.052 0.000 1.401 319 M HN 0.099 nan 8.290 nan 0.000 0.448 320 L N -0.024 121.106 121.223 -0.154 0.000 2.249 320 L HA 0.138 4.478 4.340 -0.001 0.000 0.207 320 L C 0.608 177.404 176.870 -0.123 0.000 1.090 320 L CA 0.363 55.091 54.840 -0.187 0.000 0.802 320 L CB 0.220 42.113 42.059 -0.277 0.000 0.947 320 L HN 0.297 nan 8.230 nan 0.000 0.453 321 L N 1.760 122.923 121.223 -0.101 0.000 2.637 321 L HA 0.320 4.659 4.340 -0.001 0.000 0.241 321 L C -2.353 174.477 176.870 -0.066 0.000 1.398 321 L CA -1.597 53.194 54.840 -0.082 0.000 0.895 321 L CB 0.822 42.828 42.059 -0.089 0.000 1.183 321 L HN -0.124 nan 8.230 nan 0.000 0.497 322 P HA 0.106 nan 4.420 nan 0.000 0.271 322 P C 0.870 178.148 177.300 -0.038 0.000 1.216 322 P CA 0.708 63.782 63.100 -0.043 0.000 0.771 322 P CB 1.354 33.032 31.700 -0.036 0.000 0.864 323 G N 2.817 111.597 108.800 -0.034 0.000 2.143 323 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.248 323 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.248 323 G C -0.086 174.794 174.900 -0.033 0.000 0.991 323 G CA -0.127 44.956 45.100 -0.030 0.000 0.689 323 G HN 0.637 nan 8.290 nan 0.000 0.522 324 Q N -0.291 119.483 119.800 -0.042 0.000 2.907 324 Q HA 0.312 4.651 4.340 -0.001 0.000 0.262 324 Q C -1.580 174.387 176.000 -0.055 0.000 0.997 324 Q CA -1.660 54.114 55.803 -0.047 0.000 0.797 324 Q CB 2.061 30.767 28.738 -0.053 0.000 1.228 324 Q HN 0.323 nan 8.270 nan 0.000 0.466 325 P HA -0.178 nan 4.420 nan 0.000 0.220 325 P C 0.431 177.697 177.300 -0.057 0.000 1.152 325 P CA 1.193 64.263 63.100 -0.050 0.000 0.812 325 P CB 0.512 32.190 31.700 -0.038 0.000 0.792 326 E N 0.502 120.671 120.200 -0.051 0.000 2.076 326 E HA -0.027 4.322 4.350 -0.001 0.000 0.190 326 E C 2.262 178.820 176.600 -0.070 0.000 0.979 326 E CA 0.974 57.342 56.400 -0.052 0.000 0.807 326 E CB -0.719 28.959 29.700 -0.037 0.000 0.761 326 E HN 0.141 nan 8.360 nan 0.000 0.454 327 A N 1.906 124.682 122.820 -0.073 0.000 1.877 327 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 327 A C 2.610 180.108 177.584 -0.144 0.000 1.186 327 A CA 1.299 53.277 52.037 -0.098 0.000 0.620 327 A CB -0.935 18.011 19.000 -0.090 0.000 0.822 327 A HN 0.119 nan 8.150 nan 0.000 0.443 328 V N -0.184 119.653 119.914 -0.128 0.000 2.324 328 V HA -0.310 3.810 4.120 -0.001 0.000 0.250 328 V C 3.046 179.028 176.094 -0.187 0.000 1.060 328 V CA 2.182 64.391 62.300 -0.151 0.000 1.042 328 V CB -1.119 30.641 31.823 -0.106 0.000 0.650 328 V HN 0.648 nan 8.190 nan 0.000 0.450 329 A N -0.634 122.100 122.820 -0.143 0.000 1.898 329 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 329 A C 2.360 179.848 177.584 -0.160 0.000 1.181 329 A CA 1.668 53.623 52.037 -0.136 0.000 0.620 329 A CB -0.496 18.451 19.000 -0.088 0.000 0.819 329 A HN 0.482 nan 8.150 nan 0.000 0.442 330 R N -0.662 119.752 120.500 -0.144 0.000 2.081 330 R HA -0.072 4.267 4.340 -0.001 0.000 0.235 330 R C 2.076 178.258 176.300 -0.197 0.000 1.131 330 R CA 1.511 57.534 56.100 -0.128 0.000 0.960 330 R CB -0.502 29.745 30.300 -0.088 0.000 0.856 330 R HN 0.522 nan 8.270 nan 0.000 0.436 331 L N -0.229 120.799 121.223 -0.324 0.000 2.017 331 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 331 L C 2.743 179.118 176.870 -0.824 0.000 1.073 331 L CA 1.394 55.907 54.840 -0.545 0.000 0.745 331 L CB -0.384 41.310 42.059 -0.608 0.000 0.894 331 L HN 0.148 nan 8.230 nan 0.000 0.432 332 R N 0.307 120.341 120.500 -0.778 0.000 2.096 332 R HA -0.161 4.179 4.340 -0.001 0.000 0.235 332 R C 2.287 178.319 176.300 -0.447 0.000 1.127 332 R CA 1.299 56.897 56.100 -0.836 0.000 0.968 332 R CB -0.264 29.805 30.300 -0.386 0.000 0.861 332 R HN 0.340 nan 8.270 nan 0.000 0.440 333 A N 0.041 122.713 122.820 -0.246 0.000 2.024 333 A HA -0.171 4.148 4.320 -0.001 0.000 0.220 333 A C 2.059 179.639 177.584 -0.007 0.000 1.164 333 A CA 1.985 53.965 52.037 -0.094 0.000 0.643 333 A CB -0.824 18.140 19.000 -0.061 0.000 0.806 333 A HN 0.637 nan 8.150 nan 0.000 0.451 334 T N -3.687 110.875 114.554 0.013 0.000 3.100 334 T HA 0.257 4.606 4.350 -0.001 0.000 0.253 334 T C 0.094 175.054 174.700 0.433 0.000 1.118 334 T CA -0.330 61.928 62.100 0.263 0.000 1.058 334 T CB -0.465 68.700 68.868 0.496 0.000 0.953 334 T HN 0.059 nan 8.240 nan 0.000 0.515 335 F N 2.457 122.494 119.950 0.146 0.000 2.427 335 F HA 0.752 5.278 4.527 -0.001 0.000 0.352 335 F C 0.885 176.724 175.800 0.065 0.000 1.100 335 F CA -2.382 55.682 58.000 0.106 0.000 1.191 335 F CB 0.080 39.126 39.000 0.077 0.000 1.128 335 F HN 0.216 nan 8.300 nan 0.000 0.533 336 A N 2.145 125.097 122.820 0.220 0.000 2.378 336 A HA 0.751 5.070 4.320 -0.001 0.000 0.293 336 A C 0.483 178.086 177.584 0.032 0.000 1.250 336 A CA -0.268 51.837 52.037 0.112 0.000 0.915 336 A CB -0.181 18.863 19.000 0.074 0.000 1.402 336 A HN 0.834 nan 8.150 nan 0.000 0.502 337 G N -0.752 108.039 108.800 -0.015 0.000 2.343 337 G HA2 0.491 4.450 3.960 -0.001 0.000 0.254 337 G HA3 0.491 4.450 3.960 -0.001 0.000 0.254 337 G C -0.771 173.832 174.900 -0.495 0.000 1.277 337 G CA -0.026 44.962 45.100 -0.187 0.000 0.909 337 G HN 0.513 nan 8.290 nan 0.000 0.502 338 L N 2.078 122.836 121.223 -0.775 0.000 2.409 338 L HA 0.410 4.749 4.340 -0.001 0.000 0.272 338 L C -1.293 175.106 176.870 -0.785 0.000 0.980 338 L CA -0.883 53.583 54.840 -0.623 0.000 0.826 338 L CB 2.070 43.949 42.059 -0.300 0.000 1.268 338 L HN 0.523 nan 8.230 nan 0.000 0.407 339 Y N 0.968 121.310 120.300 0.070 0.000 2.350 339 Y HA 0.417 4.966 4.550 -0.001 0.000 0.338 339 Y C 0.460 176.379 175.900 0.032 0.000 0.961 339 Y CA -0.798 57.335 58.100 0.055 0.000 1.100 339 Y CB 2.150 40.648 38.460 0.063 0.000 1.179 339 Y HN 0.485 nan 8.280 nan 0.000 0.454 340 S N 2.773 118.562 115.700 0.149 0.000 2.572 340 S HA 0.284 4.753 4.470 -0.001 0.000 0.279 340 S C 0.273 174.929 174.600 0.093 0.000 1.341 340 S CA -0.264 57.988 58.200 0.087 0.000 1.043 340 S CB 0.284 63.517 63.200 0.055 0.000 0.887 340 S HN 0.777 nan 8.310 nan 0.000 0.516 341 L N 2.736 124.000 121.223 0.069 0.000 3.066 341 L HA 0.318 4.657 4.340 -0.001 0.000 0.265 341 L C -0.071 176.817 176.870 0.031 0.000 1.232 341 L CA -0.389 54.481 54.840 0.050 0.000 1.031 341 L CB 0.143 42.239 42.059 0.061 0.000 1.379 341 L HN 0.560 nan 8.230 nan 0.000 0.563 342 D N 0.444 120.858 120.400 0.024 0.000 2.362 342 D HA 0.048 4.687 4.640 -0.001 0.000 0.238 342 D C 0.339 176.640 176.300 0.002 0.000 1.212 342 D CA 0.080 54.084 54.000 0.007 0.000 0.902 342 D CB 1.355 42.152 40.800 -0.005 0.000 1.180 342 D HN -0.275 nan 8.370 nan 0.000 0.445 343 V N 0.600 120.511 119.914 -0.004 0.000 2.694 343 V HA 0.443 4.562 4.120 -0.001 0.000 0.306 343 V C 1.081 177.172 176.094 -0.006 0.000 1.054 343 V CA 1.283 63.578 62.300 -0.007 0.000 1.161 343 V CB 0.281 32.098 31.823 -0.010 0.000 0.916 343 V HN 0.820 nan 8.190 nan 0.000 0.490 344 G N 3.827 112.622 108.800 -0.007 0.000 2.359 344 G HA2 0.048 4.007 3.960 -0.001 0.000 0.314 344 G HA3 0.048 4.007 3.960 -0.001 0.000 0.314 344 G C -0.070 174.827 174.900 -0.005 0.000 1.364 344 G CA -0.131 44.967 45.100 -0.004 0.000 0.978 344 G HN 0.534 nan 8.290 nan 0.000 0.615 345 E N -0.304 119.895 120.200 -0.002 0.000 2.077 345 E HA -0.084 4.266 4.350 -0.001 0.000 0.193 345 E C 2.042 178.640 176.600 -0.002 0.000 0.989 345 E CA 1.480 57.877 56.400 -0.004 0.000 0.800 345 E CB 0.155 29.855 29.700 0.000 0.000 0.746 345 E HN 0.613 nan 8.360 nan 0.000 0.452 346 E N 0.053 120.261 120.200 0.013 0.000 2.051 346 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 346 E C 2.170 178.778 176.600 0.013 0.000 0.991 346 E CA 1.150 57.567 56.400 0.028 0.000 0.799 346 E CB -0.193 29.540 29.700 0.054 0.000 0.748 346 E HN 0.311 nan 8.360 nan 0.000 0.449 347 G N 0.780 109.585 108.800 0.009 0.000 2.418 347 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.217 347 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.217 347 G C 1.101 175.974 174.900 -0.046 0.000 1.158 347 G CA 1.111 46.208 45.100 -0.006 0.000 0.771 347 G HN 0.198 nan 8.290 nan 0.000 0.545 348 D N 0.527 120.902 120.400 -0.042 0.000 2.144 348 D HA -0.086 4.553 4.640 -0.001 0.000 0.199 348 D C 2.738 178.988 176.300 -0.084 0.000 0.984 348 D CA 0.945 54.910 54.000 -0.058 0.000 0.834 348 D CB -0.282 40.492 40.800 -0.043 0.000 0.955 348 D HN 0.460 nan 8.370 nan 0.000 0.465 349 Q N 0.467 120.221 119.800 -0.077 0.000 2.079 349 Q HA -0.025 4.314 4.340 -0.001 0.000 0.200 349 Q C 2.282 178.169 176.000 -0.189 0.000 0.974 349 Q CA 1.352 57.094 55.803 -0.102 0.000 0.840 349 Q CB -0.160 28.538 28.738 -0.066 0.000 0.898 349 Q HN 0.222 nan 8.270 nan 0.000 0.430 350 A N 1.193 123.876 122.820 -0.228 0.000 1.902 350 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 350 A C 2.088 179.409 177.584 -0.438 0.000 1.181 350 A CA 1.154 52.936 52.037 -0.426 0.000 0.623 350 A CB -0.653 18.183 19.000 -0.273 0.000 0.818 350 A HN 0.301 nan 8.150 nan 0.000 0.443 351 I N -0.339 120.069 120.570 -0.270 0.000 2.226 351 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 351 I C 2.955 178.923 176.117 -0.249 0.000 1.100 351 I CA 1.055 62.208 61.300 -0.245 0.000 1.374 351 I CB -0.319 37.587 38.000 -0.157 0.000 1.057 351 I HN 0.368 nan 8.210 nan 0.000 0.413 352 A N 0.395 123.092 122.820 -0.205 0.000 1.898 352 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 352 A C 2.233 179.698 177.584 -0.200 0.000 1.181 352 A CA 1.358 53.297 52.037 -0.163 0.000 0.620 352 A CB -0.392 18.541 19.000 -0.112 0.000 0.819 352 A HN 0.341 nan 8.150 nan 0.000 0.442 353 E N 0.123 120.154 120.200 -0.282 0.000 2.077 353 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 353 E C 2.323 178.654 176.600 -0.448 0.000 0.989 353 E CA 1.277 57.499 56.400 -0.297 0.000 0.800 353 E CB -0.625 28.832 29.700 -0.404 0.000 0.746 353 E HN 0.581 nan 8.360 nan 0.000 0.452 354 A N 1.172 123.520 122.820 -0.785 0.000 1.933 354 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 354 A C 2.163 179.608 177.584 -0.232 0.000 1.175 354 A CA 0.932 52.536 52.037 -0.721 0.000 0.628 354 A CB -0.338 18.213 19.000 -0.748 0.000 0.814 354 A HN 0.122 nan 8.150 nan 0.000 0.444 355 L N -0.783 120.322 121.223 -0.198 0.000 2.217 355 L HA -0.001 4.338 4.340 -0.001 0.000 0.211 355 L C 2.774 179.610 176.870 -0.057 0.000 1.107 355 L CA 1.658 56.435 54.840 -0.104 0.000 0.783 355 L CB -1.169 40.827 42.059 -0.105 0.000 0.919 355 L HN 0.417 nan 8.230 nan 0.000 0.442 356 A N -1.191 121.594 122.820 -0.057 0.000 1.975 356 A HA 0.396 4.715 4.320 -0.001 0.000 0.215 356 A C 1.336 178.941 177.584 0.034 0.000 1.170 356 A CA 0.921 52.951 52.037 -0.012 0.000 0.656 356 A CB -0.249 18.743 19.000 -0.014 0.000 0.821 356 A HN 0.286 nan 8.150 nan 0.000 0.449 357 A N -0.425 122.443 122.820 0.080 0.000 3.266 357 A HA 0.575 4.894 4.320 -0.001 0.000 0.310 357 A C -1.879 175.837 177.584 0.221 0.000 1.066 357 A CA -0.773 51.350 52.037 0.142 0.000 0.839 357 A CB 0.469 19.584 19.000 0.193 0.000 1.192 357 A HN 0.137 nan 8.150 nan 0.000 0.496 358 P HA -0.140 nan 4.420 nan 0.000 0.226 358 P C 1.371 178.779 177.300 0.181 0.000 1.153 358 P CA 1.725 64.923 63.100 0.164 0.000 0.777 358 P CB 0.083 31.833 31.700 0.083 0.000 0.794 359 S N -0.417 115.364 115.700 0.135 0.000 2.522 359 S HA 0.015 4.484 4.470 -0.001 0.000 0.227 359 S C 1.704 176.360 174.600 0.093 0.000 0.986 359 S CA 0.111 58.376 58.200 0.108 0.000 0.929 359 S CB -0.724 62.516 63.200 0.067 0.000 0.769 359 S HN 0.169 nan 8.310 nan 0.000 0.529 360 R N -0.336 120.217 120.500 0.089 0.000 2.334 360 R HA 0.408 4.747 4.340 -0.001 0.000 0.216 360 R C -0.910 175.140 176.300 -0.417 0.000 0.905 360 R CA 0.032 56.053 56.100 -0.132 0.000 1.064 360 R CB 0.096 30.259 30.300 -0.230 0.000 1.046 360 R HN 0.381 nan 8.270 nan 0.000 0.508 361 F N -1.074 118.919 119.950 0.072 0.000 2.629 361 F HA 0.469 4.995 4.527 -0.001 0.000 0.316 361 F C -0.246 175.579 175.800 0.041 0.000 1.081 361 F CA -1.221 56.820 58.000 0.069 0.000 0.954 361 F CB 1.736 40.756 39.000 0.033 0.000 1.337 361 F HN -0.434 nan 8.300 nan 0.000 0.474 362 V N 2.308 122.338 119.914 0.193 0.000 2.735 362 V HA 0.511 4.630 4.120 -0.001 0.000 0.310 362 V C -1.351 174.720 176.094 -0.037 0.000 1.061 362 V CA -0.811 61.453 62.300 -0.060 0.000 0.913 362 V CB 2.288 34.038 31.823 -0.121 0.000 1.005 362 V HN 0.538 nan 8.190 nan 0.000 0.428 363 L N 4.837 125.971 121.223 -0.148 0.000 2.305 363 L HA 0.607 4.946 4.340 -0.001 0.000 0.284 363 L C -0.405 176.476 176.870 0.017 0.000 1.013 363 L CA 0.086 54.905 54.840 -0.034 0.000 0.819 363 L CB 0.961 42.968 42.059 -0.088 0.000 1.227 363 L HN 0.592 nan 8.230 nan 0.000 0.417 364 K N 7.346 127.820 120.400 0.124 0.000 2.413 364 K HA 0.545 4.864 4.320 -0.001 0.000 0.257 364 K C -2.682 173.974 176.600 0.094 0.000 0.946 364 K CA -1.707 54.642 56.287 0.104 0.000 0.823 364 K CB 1.997 34.516 32.500 0.031 0.000 1.109 364 K HN 0.394 nan 8.250 nan 0.000 0.427 365 P HA 0.070 nan 4.420 nan 0.000 0.276 365 P C -0.680 176.540 177.300 -0.134 0.000 1.261 365 P CA -0.491 62.416 63.100 -0.322 0.000 0.800 365 P CB 0.653 32.172 31.700 -0.301 0.000 1.066 366 Q N 1.114 120.842 119.800 -0.119 0.000 3.181 366 Q HA 0.227 4.566 4.340 -0.001 0.000 0.293 366 Q C 0.255 176.317 176.000 0.102 0.000 1.406 366 Q CA 0.274 56.080 55.803 0.005 0.000 1.026 366 Q CB -0.304 28.443 28.738 0.016 0.000 1.630 366 Q HN 0.279 nan 8.270 nan 0.000 0.553 367 R N 0.236 120.775 120.500 0.064 0.000 2.960 367 R HA 0.621 4.960 4.340 -0.001 0.000 0.249 367 R C -0.037 176.330 176.300 0.111 0.000 1.192 367 R CA -0.749 55.399 56.100 0.079 0.000 1.035 367 R CB 1.271 31.576 30.300 0.009 0.000 1.234 367 R HN 0.157 nan 8.270 nan 0.000 0.493 368 E N -1.218 119.069 120.200 0.145 0.000 2.392 368 E HA 0.393 4.742 4.350 -0.001 0.000 0.279 368 E C 0.002 176.707 176.600 0.175 0.000 0.964 368 E CA -0.019 56.474 56.400 0.155 0.000 0.777 368 E CB 2.125 31.954 29.700 0.216 0.000 1.249 368 E HN 0.688 nan 8.360 nan 0.000 0.449 369 G N 0.544 109.377 108.800 0.055 0.000 2.175 369 G HA2 0.009 3.968 3.960 -0.001 0.000 0.244 369 G HA3 0.009 3.968 3.960 -0.001 0.000 0.244 369 G C 0.566 175.514 174.900 0.080 0.000 0.982 369 G CA 0.358 45.490 45.100 0.054 0.000 0.641 369 G HN 1.380 nan 8.290 nan 0.000 0.527 370 G N -1.601 107.241 108.800 0.070 0.000 2.721 370 G HA2 0.513 4.472 3.960 -0.001 0.000 0.686 370 G HA3 0.513 4.472 3.960 -0.001 0.000 0.686 370 G C 1.449 176.391 174.900 0.070 0.000 1.236 370 G CA 0.950 46.088 45.100 0.064 0.000 0.786 370 G HN 2.525 nan 8.290 nan 0.000 0.616 371 G N -0.041 108.805 108.800 0.076 0.000 2.175 371 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.244 371 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.244 371 G C 0.860 175.815 174.900 0.092 0.000 0.982 371 G CA 1.076 46.222 45.100 0.076 0.000 0.641 371 G HN 1.478 nan 8.290 nan 0.000 0.527 372 N N 0.179 118.937 118.700 0.097 0.000 2.348 372 N HA 0.050 4.789 4.740 -0.001 0.000 0.183 372 N C 0.613 176.182 175.510 0.099 0.000 1.094 372 N CA -0.013 53.087 53.050 0.084 0.000 0.885 372 N CB 0.018 38.536 38.487 0.053 0.000 1.065 372 N HN 0.378 nan 8.380 nan 0.000 0.472 373 N N 1.312 120.078 118.700 0.110 0.000 2.354 373 N HA 0.244 4.983 4.740 -0.001 0.000 0.246 373 N C -0.065 175.438 175.510 -0.013 0.000 1.285 373 N CA 0.182 53.236 53.050 0.007 0.000 0.925 373 N CB 1.078 39.487 38.487 -0.130 0.000 1.174 373 N HN 0.044 nan 8.380 nan 0.000 0.478 374 L N 0.900 121.990 121.223 -0.222 0.000 2.362 374 L HA 0.507 4.846 4.340 -0.001 0.000 0.271 374 L C -1.034 175.653 176.870 -0.305 0.000 1.002 374 L CA -0.753 54.029 54.840 -0.096 0.000 0.818 374 L CB 1.085 43.132 42.059 -0.019 0.000 1.298 374 L HN 0.435 nan 8.230 nan 0.000 0.420 375 Y N -0.260 120.070 120.300 0.051 0.000 2.669 375 Y HA 0.649 5.198 4.550 -0.002 0.000 0.335 375 Y C 1.073 176.998 175.900 0.041 0.000 1.116 375 Y CA 0.047 58.180 58.100 0.055 0.000 1.081 375 Y CB 1.216 39.707 38.460 0.052 0.000 1.297 375 Y HN 0.739 nan 8.280 nan 0.000 0.484 376 G N 0.773 109.705 108.800 0.221 0.000 2.686 376 G HA2 -0.450 3.510 3.960 -0.001 0.000 0.359 376 G HA3 -0.450 3.510 3.960 -0.001 0.000 0.359 376 G C 1.254 176.204 174.900 0.083 0.000 1.222 376 G CA 1.445 46.623 45.100 0.130 0.000 0.956 376 G HN 0.800 nan 8.290 nan 0.000 0.565 377 E N 0.072 120.311 120.200 0.065 0.000 2.070 377 E HA -0.157 4.192 4.350 -0.001 0.000 0.197 377 E C 2.600 179.221 176.600 0.035 0.000 1.004 377 E CA 1.705 58.130 56.400 0.041 0.000 0.805 377 E CB -0.145 29.574 29.700 0.032 0.000 0.744 377 E HN 0.699 nan 8.360 nan 0.000 0.451 378 E N -0.044 120.187 120.200 0.052 0.000 2.107 378 E HA -0.187 4.162 4.350 -0.001 0.000 0.191 378 E C 2.095 178.699 176.600 0.008 0.000 0.982 378 E CA 0.846 57.268 56.400 0.036 0.000 0.809 378 E CB -0.129 29.609 29.700 0.063 0.000 0.756 378 E HN 0.338 nan 8.360 nan 0.000 0.459 379 M N 0.924 120.534 119.600 0.017 0.000 2.086 379 M HA -0.174 4.305 4.480 -0.001 0.000 0.261 379 M C 2.252 178.520 176.300 -0.052 0.000 1.067 379 M CA 1.381 56.662 55.300 -0.032 0.000 1.116 379 M CB 0.000 32.595 32.600 -0.008 0.000 1.348 379 M HN -0.046 nan 8.290 nan 0.000 0.407 380 V N 1.000 120.900 119.914 -0.023 0.000 2.255 380 V HA -0.333 3.787 4.120 -0.001 0.000 0.247 380 V C 2.292 178.358 176.094 -0.047 0.000 1.051 380 V CA 2.244 64.523 62.300 -0.035 0.000 1.018 380 V CB -1.027 30.788 31.823 -0.014 0.000 0.641 380 V HN 0.594 nan 8.190 nan 0.000 0.445 381 Q N -0.388 119.392 119.800 -0.033 0.000 2.096 381 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 381 Q C 2.385 178.351 176.000 -0.056 0.000 0.982 381 Q CA 1.839 57.621 55.803 -0.035 0.000 0.850 381 Q CB -0.409 28.318 28.738 -0.018 0.000 0.901 381 Q HN 0.700 nan 8.270 nan 0.000 0.422 382 A N 0.739 123.512 122.820 -0.078 0.000 1.898 382 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 382 A C 2.062 179.550 177.584 -0.160 0.000 1.181 382 A CA 0.883 52.845 52.037 -0.125 0.000 0.620 382 A CB -0.562 18.335 19.000 -0.171 0.000 0.819 382 A HN 0.266 nan 8.150 nan 0.000 0.442 383 L N -0.669 120.461 121.223 -0.154 0.000 2.046 383 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 383 L C 2.482 179.284 176.870 -0.113 0.000 1.077 383 L CA 1.687 56.435 54.840 -0.154 0.000 0.747 383 L CB -0.409 41.563 42.059 -0.146 0.000 0.896 383 L HN 0.343 nan 8.230 nan 0.000 0.432 384 K N -0.509 119.839 120.400 -0.087 0.000 2.209 384 K HA -0.169 4.151 4.320 -0.001 0.000 0.204 384 K C 2.110 178.675 176.600 -0.059 0.000 1.048 384 K CA 1.050 57.297 56.287 -0.066 0.000 0.940 384 K CB -0.017 32.453 32.500 -0.050 0.000 0.729 384 K HN 0.427 nan 8.250 nan 0.000 0.451 385 Q N 0.123 119.884 119.800 -0.065 0.000 2.250 385 Q HA 0.056 4.396 4.340 -0.001 0.000 0.200 385 Q C 2.048 178.014 176.000 -0.056 0.000 0.941 385 Q CA 0.572 56.344 55.803 -0.051 0.000 0.872 385 Q CB 0.218 28.929 28.738 -0.045 0.000 0.965 385 Q HN 0.284 nan 8.270 nan 0.000 0.480 386 L N 0.823 121.994 121.223 -0.086 0.000 2.217 386 L HA -0.124 4.215 4.340 -0.001 0.000 0.211 386 L C 2.456 179.289 176.870 -0.063 0.000 1.107 386 L CA 0.785 55.575 54.840 -0.084 0.000 0.783 386 L CB -0.351 41.613 42.059 -0.158 0.000 0.919 386 L HN 0.152 nan 8.230 nan 0.000 0.442 387 K N 0.453 120.812 120.400 -0.069 0.000 2.052 387 K HA -0.244 4.075 4.320 -0.001 0.000 0.215 387 K C 0.799 177.375 176.600 -0.041 0.000 1.053 387 K CA 2.077 58.328 56.287 -0.059 0.000 0.934 387 K CB -0.002 32.462 32.500 -0.060 0.000 0.717 387 K HN 0.298 nan 8.250 nan 0.000 0.450 388 D N 0.051 120.431 120.400 -0.034 0.000 2.358 388 D HA 0.033 4.672 4.640 -0.001 0.000 0.224 388 D C -0.118 176.171 176.300 -0.018 0.000 1.123 388 D CA 0.166 54.151 54.000 -0.024 0.000 0.833 388 D CB 0.763 41.549 40.800 -0.023 0.000 0.946 388 D HN 0.027 nan 8.370 nan 0.000 0.505 389 S N 0.090 115.780 115.700 -0.016 0.000 2.578 389 S HA 0.181 4.650 4.470 -0.001 0.000 0.301 389 S C 1.080 175.681 174.600 0.002 0.000 1.091 389 S CA -0.476 57.721 58.200 -0.005 0.000 1.032 389 S CB 1.962 65.162 63.200 -0.001 0.000 1.064 389 S HN -0.247 nan 8.310 nan 0.000 0.508 390 E N 2.093 122.295 120.200 0.004 0.000 2.204 390 E HA -0.088 4.262 4.350 -0.001 0.000 0.194 390 E C 1.566 178.179 176.600 0.022 0.000 0.989 390 E CA 1.125 57.529 56.400 0.005 0.000 0.824 390 E CB -0.215 29.485 29.700 -0.000 0.000 0.756 390 E HN 0.778 nan 8.360 nan 0.000 0.477 391 E N 0.676 120.899 120.200 0.037 0.000 2.219 391 E HA -0.242 4.108 4.350 -0.001 0.000 0.198 391 E C 2.002 178.688 176.600 0.143 0.000 0.998 391 E CA 1.225 57.672 56.400 0.079 0.000 0.818 391 E CB -0.417 29.335 29.700 0.087 0.000 0.741 391 E HN 0.312 nan 8.360 nan 0.000 0.477 392 R N 1.194 121.752 120.500 0.097 0.000 2.154 392 R HA -0.173 4.166 4.340 -0.001 0.000 0.248 392 R C 2.151 178.548 176.300 0.162 0.000 1.155 392 R CA 1.575 57.741 56.100 0.110 0.000 0.979 392 R CB -0.627 29.686 30.300 0.022 0.000 0.869 392 R HN 0.153 nan 8.270 nan 0.000 0.452 393 A N 0.937 123.810 122.820 0.088 0.000 2.172 393 A HA -0.019 4.301 4.320 -0.001 0.000 0.216 393 A C 1.906 179.509 177.584 0.032 0.000 1.154 393 A CA 1.277 53.342 52.037 0.047 0.000 0.701 393 A CB -0.260 18.739 19.000 -0.001 0.000 0.789 393 A HN 0.474 nan 8.150 nan 0.000 0.465 394 S N -1.413 114.314 115.700 0.045 0.000 2.561 394 S HA 0.141 4.610 4.470 -0.001 0.000 0.225 394 S C 0.028 174.437 174.600 -0.319 0.000 0.977 394 S CA 0.389 58.503 58.200 -0.144 0.000 0.926 394 S CB -0.281 62.766 63.200 -0.255 0.000 0.769 394 S HN 0.617 nan 8.310 nan 0.000 0.533 395 Y N 0.147 120.442 120.300 -0.009 0.000 2.650 395 Y HA 0.690 5.239 4.550 -0.001 0.000 0.331 395 Y C -0.116 175.782 175.900 -0.003 0.000 1.082 395 Y CA -1.750 56.346 58.100 -0.006 0.000 1.171 395 Y CB 0.932 39.385 38.460 -0.011 0.000 1.326 395 Y HN -0.017 nan 8.280 nan 0.000 0.513 396 I N -0.757 119.928 120.570 0.193 0.000 3.074 396 I HA 0.716 4.885 4.170 -0.001 0.000 0.310 396 I C -2.029 174.179 176.117 0.152 0.000 1.153 396 I CA -1.125 60.253 61.300 0.129 0.000 0.993 396 I CB 1.831 39.869 38.000 0.063 0.000 1.237 396 I HN 0.322 nan 8.210 nan 0.000 0.443 397 L N 3.419 124.757 121.223 0.191 0.000 2.354 397 L HA 0.770 5.109 4.340 -0.001 0.000 0.269 397 L C -0.834 176.256 176.870 0.366 0.000 1.005 397 L CA -0.590 54.408 54.840 0.264 0.000 0.819 397 L CB 1.802 44.022 42.059 0.268 0.000 1.311 397 L HN 0.909 nan 8.230 nan 0.000 0.423 398 M N 2.367 122.182 119.600 0.358 0.000 2.484 398 M HA 0.371 4.850 4.480 -0.001 0.000 0.289 398 M C -0.904 175.555 176.300 0.264 0.000 1.206 398 M CA -0.634 54.818 55.300 0.254 0.000 0.892 398 M CB 2.102 34.747 32.600 0.076 0.000 1.712 398 M HN 0.731 nan 8.290 nan 0.000 0.462 399 E N 3.787 124.074 120.200 0.145 0.000 2.480 399 E HA -0.005 4.345 4.350 -0.001 0.000 0.258 399 E C -0.941 175.617 176.600 -0.070 0.000 0.984 399 E CA 0.233 56.576 56.400 -0.095 0.000 0.930 399 E CB 0.740 30.424 29.700 -0.027 0.000 0.936 399 E HN 0.484 nan 8.360 nan 0.000 0.466 400 K N 5.577 125.902 120.400 -0.125 0.000 2.322 400 K HA 0.116 4.435 4.320 -0.001 0.000 0.283 400 K C -0.280 176.317 176.600 -0.005 0.000 1.042 400 K CA -0.695 55.587 56.287 -0.008 0.000 0.958 400 K CB 0.502 33.019 32.500 0.028 0.000 0.984 400 K HN 0.463 nan 8.250 nan 0.000 0.473 401 I N 3.658 124.244 120.570 0.028 0.000 2.519 401 I HA 0.109 4.278 4.170 -0.001 0.000 0.287 401 I C 0.149 176.287 176.117 0.034 0.000 1.047 401 I CA 0.104 61.425 61.300 0.034 0.000 1.381 401 I CB 1.168 39.195 38.000 0.046 0.000 1.417 401 I HN 0.722 nan 8.210 nan 0.000 0.540 402 E N 6.085 126.307 120.200 0.036 0.000 3.037 402 E HA 0.320 4.669 4.350 -0.001 0.000 0.220 402 E C -2.336 174.295 176.600 0.052 0.000 1.142 402 E CA -1.555 54.866 56.400 0.034 0.000 0.888 402 E CB 1.126 30.841 29.700 0.024 0.000 1.329 402 E HN 0.388 nan 8.360 nan 0.000 0.409 403 P HA -0.073 nan 4.420 nan 0.000 0.270 403 P C -0.264 177.104 177.300 0.114 0.000 1.223 403 P CA -0.136 63.029 63.100 0.109 0.000 0.785 403 P CB 0.595 32.361 31.700 0.110 0.000 0.923 404 E N 2.529 122.820 120.200 0.152 0.000 2.366 404 E HA 0.095 4.444 4.350 -0.001 0.000 0.266 404 E C -2.048 174.667 176.600 0.191 0.000 1.015 404 E CA -1.646 54.839 56.400 0.141 0.000 0.906 404 E CB -0.045 29.744 29.700 0.148 0.000 0.979 404 E HN 0.243 nan 8.360 nan 0.000 0.443 405 P HA 0.167 nan 4.420 nan 0.000 0.275 405 P C -1.175 176.183 177.300 0.097 0.000 1.228 405 P CA -0.048 63.055 63.100 0.006 0.000 0.786 405 P CB 0.307 31.973 31.700 -0.055 0.000 0.927 406 F N -2.006 117.977 119.950 0.056 0.000 2.601 406 F HA 0.555 5.081 4.527 -0.002 0.000 0.309 406 F C -0.292 175.556 175.800 0.081 0.000 1.089 406 F CA -1.432 56.605 58.000 0.062 0.000 0.940 406 F CB 1.264 40.313 39.000 0.080 0.000 1.273 406 F HN 0.134 nan 8.300 nan 0.000 0.450 407 E N 1.961 122.277 120.200 0.192 0.000 2.354 407 E HA 0.280 4.629 4.350 -0.001 0.000 0.269 407 E C -0.885 175.894 176.600 0.299 0.000 1.036 407 E CA -0.252 56.229 56.400 0.134 0.000 0.876 407 E CB 0.963 30.736 29.700 0.121 0.000 1.009 407 E HN 0.655 nan 8.360 nan 0.000 0.416 408 N N 1.183 119.998 118.700 0.192 0.000 3.344 408 N HA 0.316 5.055 4.740 -0.001 0.000 0.296 408 N C -1.966 173.627 175.510 0.138 0.000 1.571 408 N CA -0.468 52.741 53.050 0.265 0.000 0.844 408 N CB 1.672 40.346 38.487 0.312 0.000 1.718 408 N HN 0.468 nan 8.380 nan 0.000 0.589 409 C N 1.737 121.089 119.300 0.087 0.000 2.482 409 C HA 0.683 5.142 4.460 -0.001 0.000 0.317 409 C C -0.957 173.986 174.990 -0.078 0.000 1.197 409 C CA -0.614 58.401 59.018 -0.005 0.000 1.432 409 C CB -0.620 27.100 27.740 -0.032 0.000 2.062 409 C HN 0.488 nan 8.230 nan 0.000 0.471 410 L N 6.244 127.420 121.223 -0.078 0.000 2.307 410 L HA 0.585 4.924 4.340 -0.001 0.000 0.284 410 L C -0.577 176.199 176.870 -0.156 0.000 1.023 410 L CA -0.493 54.280 54.840 -0.110 0.000 0.810 410 L CB 1.376 43.407 42.059 -0.047 0.000 1.231 410 L HN 0.554 nan 8.230 nan 0.000 0.423 411 L N 4.313 125.372 121.223 -0.274 0.000 2.305 411 L HA 0.619 4.958 4.340 -0.001 0.000 0.284 411 L C -0.281 176.602 176.870 0.022 0.000 1.013 411 L CA -0.420 54.288 54.840 -0.220 0.000 0.819 411 L CB 1.709 43.377 42.059 -0.653 0.000 1.227 411 L HN 0.584 nan 8.230 nan 0.000 0.417 412 R N 4.492 125.059 120.500 0.111 0.000 2.574 412 R HA 0.526 4.865 4.340 -0.001 0.000 0.288 412 R C -2.782 173.485 176.300 -0.055 0.000 1.004 412 R CA -1.627 54.490 56.100 0.029 0.000 0.895 412 R CB 2.398 32.689 30.300 -0.014 0.000 1.191 412 R HN 0.201 nan 8.270 nan 0.000 0.444 413 P HA 0.067 nan 4.420 nan 0.000 0.262 413 P C 0.323 177.546 177.300 -0.129 0.000 1.182 413 P CA 1.250 64.104 63.100 -0.410 0.000 0.761 413 P CB 0.863 32.210 31.700 -0.587 0.000 0.795 414 G N 1.512 110.293 108.800 -0.033 0.000 2.176 414 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.253 414 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.253 414 G C 0.196 175.094 174.900 -0.002 0.000 0.979 414 G CA 0.079 45.169 45.100 -0.016 0.000 0.641 414 G HN 0.622 nan 8.290 nan 0.000 0.530 415 S N 1.356 117.061 115.700 0.008 0.000 2.548 415 S HA 0.735 5.204 4.470 -0.001 0.000 0.286 415 S C -2.443 172.168 174.600 0.019 0.000 1.098 415 S CA -0.868 57.337 58.200 0.009 0.000 0.930 415 S CB 2.828 66.029 63.200 0.002 0.000 1.070 415 S HN 0.322 nan 8.310 nan 0.000 0.480 416 P HA 0.288 nan 4.420 nan 0.000 0.272 416 P C -0.619 176.677 177.300 -0.006 0.000 1.223 416 P CA -0.373 62.730 63.100 0.005 0.000 0.784 416 P CB 0.144 31.844 31.700 0.001 0.000 0.923 417 A N 2.963 125.770 122.820 -0.021 0.000 2.587 417 A HA 0.041 4.360 4.320 -0.001 0.000 0.235 417 A C 0.565 178.130 177.584 -0.033 0.000 1.044 417 A CA 0.325 52.334 52.037 -0.048 0.000 0.754 417 A CB -0.470 18.491 19.000 -0.065 0.000 0.968 417 A HN 0.645 nan 8.150 nan 0.000 0.509 418 R N 2.785 123.262 120.500 -0.038 0.000 2.435 418 R HA 0.487 4.827 4.340 -0.001 0.000 0.308 418 R C -1.718 174.572 176.300 -0.018 0.000 0.975 418 R CA -0.506 55.581 56.100 -0.022 0.000 0.867 418 R CB 1.299 31.588 30.300 -0.018 0.000 1.171 418 R HN 0.498 nan 8.270 nan 0.000 0.470 419 V N 6.161 126.073 119.914 -0.004 0.000 2.427 419 V HA 0.317 4.436 4.120 -0.001 0.000 0.268 419 V C 0.038 176.132 176.094 0.001 0.000 1.046 419 V CA -0.027 62.283 62.300 0.016 0.000 0.970 419 V CB 1.023 32.865 31.823 0.032 0.000 1.001 419 V HN 0.603 nan 8.190 nan 0.000 0.476 420 V N 2.429 122.339 119.914 -0.007 0.000 3.258 420 V HA 0.507 4.626 4.120 -0.001 0.000 0.299 420 V C -0.766 175.288 176.094 -0.067 0.000 1.376 420 V CA -1.270 61.007 62.300 -0.037 0.000 1.063 420 V CB 1.818 33.607 31.823 -0.058 0.000 1.103 420 V HN 0.628 nan 8.190 nan 0.000 0.451 421 Q N -0.031 119.714 119.800 -0.093 0.000 2.314 421 Q HA 0.563 4.902 4.340 -0.001 0.000 0.258 421 Q C -0.932 174.921 176.000 -0.244 0.000 0.954 421 Q CA -0.013 55.699 55.803 -0.151 0.000 0.890 421 Q CB 1.312 29.983 28.738 -0.112 0.000 1.210 421 Q HN 0.847 nan 8.270 nan 0.000 0.410 422 C N 2.700 121.714 119.300 -0.477 0.000 3.080 422 C HA 0.769 5.228 4.460 -0.001 0.000 0.307 422 C C -0.591 173.968 174.990 -0.719 0.000 1.311 422 C CA -0.769 57.935 59.018 -0.523 0.000 1.533 422 C CB 1.309 28.692 27.740 -0.594 0.000 1.970 422 C HN 0.875 nan 8.230 nan 0.000 0.467 423 I N -0.594 119.780 120.570 -0.328 0.000 2.828 423 I HA 0.800 4.970 4.170 -0.001 0.000 0.302 423 I C -0.408 175.749 176.117 0.066 0.000 1.101 423 I CA -0.096 61.145 61.300 -0.098 0.000 1.031 423 I CB 2.071 40.054 38.000 -0.028 0.000 1.231 423 I HN 0.475 nan 8.210 nan 0.000 0.427 424 S N 2.022 117.850 115.700 0.214 0.000 2.664 424 S HA 0.528 4.997 4.470 -0.001 0.000 0.304 424 S C -0.856 173.686 174.600 -0.098 0.000 1.099 424 S CA -0.663 57.606 58.200 0.116 0.000 1.003 424 S CB 1.781 65.118 63.200 0.229 0.000 1.092 424 S HN 0.746 nan 8.310 nan 0.000 0.525 425 E N 1.097 121.240 120.200 -0.094 0.000 2.244 425 E HA 0.424 4.773 4.350 -0.001 0.000 0.260 425 E C -1.808 174.735 176.600 -0.094 0.000 0.884 425 E CA -0.610 55.704 56.400 -0.144 0.000 0.777 425 E CB 1.048 30.692 29.700 -0.093 0.000 1.197 425 E HN 0.396 nan 8.360 nan 0.000 0.416 426 L N 4.178 125.344 121.223 -0.096 0.000 2.264 426 L HA 0.652 4.991 4.340 -0.001 0.000 0.289 426 L C -0.216 176.694 176.870 0.066 0.000 1.044 426 L CA 0.084 54.949 54.840 0.041 0.000 0.807 426 L CB 1.259 43.419 42.059 0.168 0.000 1.192 426 L HN 0.532 nan 8.230 nan 0.000 0.425 427 G N 6.002 114.794 108.800 -0.014 0.000 2.420 427 G HA2 0.652 4.611 3.960 -0.001 0.000 0.331 427 G HA3 0.652 4.611 3.960 -0.001 0.000 0.331 427 G C -1.135 173.666 174.900 -0.165 0.000 1.168 427 G CA -0.505 44.512 45.100 -0.138 0.000 0.936 427 G HN 0.458 nan 8.290 nan 0.000 0.479 428 I N 1.304 121.763 120.570 -0.185 0.000 2.466 428 I HA 0.359 4.528 4.170 -0.001 0.000 0.289 428 I C -0.932 175.103 176.117 -0.136 0.000 1.026 428 I CA -1.029 60.175 61.300 -0.161 0.000 1.078 428 I CB 1.621 39.537 38.000 -0.140 0.000 1.249 428 I HN 0.272 nan 8.210 nan 0.000 0.429 429 F N 3.537 123.545 119.950 0.095 0.000 2.410 429 F HA 0.594 5.121 4.527 -0.001 0.000 0.348 429 F C 1.115 177.020 175.800 0.175 0.000 1.106 429 F CA -0.068 58.004 58.000 0.120 0.000 1.163 429 F CB 1.554 40.620 39.000 0.109 0.000 1.129 429 F HN 0.478 nan 8.300 nan 0.000 0.516 430 G N 1.840 110.855 108.800 0.358 0.000 2.448 430 G HA2 0.640 4.600 3.960 -0.001 0.000 0.324 430 G HA3 0.640 4.600 3.960 -0.001 0.000 0.324 430 G C -1.854 173.209 174.900 0.271 0.000 1.203 430 G CA -0.709 44.589 45.100 0.329 0.000 0.954 430 G HN 0.496 nan 8.290 nan 0.000 0.480 431 V N 2.035 122.095 119.914 0.243 0.000 2.623 431 V HA 0.649 4.769 4.120 -0.001 0.000 0.304 431 V C -1.155 175.051 176.094 0.186 0.000 1.054 431 V CA -0.692 61.682 62.300 0.123 0.000 0.882 431 V CB 1.147 33.011 31.823 0.068 0.000 1.002 431 V HN 0.874 nan 8.190 nan 0.000 0.424 432 Y N 2.856 123.223 120.300 0.110 0.000 2.544 432 Y HA 0.935 5.484 4.550 -0.001 0.000 0.342 432 Y C -1.288 174.676 175.900 0.108 0.000 1.062 432 Y CA -1.392 56.769 58.100 0.102 0.000 1.023 432 Y CB 1.923 40.447 38.460 0.107 0.000 1.308 432 Y HN 0.275 nan 8.280 nan 0.000 0.457 433 V N 3.040 123.098 119.914 0.241 0.000 2.841 433 V HA 0.700 4.819 4.120 -0.001 0.000 0.310 433 V C -0.956 175.287 176.094 0.248 0.000 1.090 433 V CA -0.925 61.487 62.300 0.186 0.000 0.930 433 V CB 2.114 34.003 31.823 0.110 0.000 1.014 433 V HN 0.917 nan 8.190 nan 0.000 0.425 434 R N 2.756 123.423 120.500 0.278 0.000 2.621 434 R HA 0.616 4.955 4.340 -0.001 0.000 0.284 434 R C -1.244 175.232 176.300 0.292 0.000 0.998 434 R CA -0.600 55.658 56.100 0.263 0.000 0.895 434 R CB 2.172 32.639 30.300 0.279 0.000 1.195 434 R HN 0.787 nan 8.270 nan 0.000 0.450 435 Q N 3.321 123.250 119.800 0.215 0.000 2.347 435 Q HA 0.193 4.532 4.340 -0.001 0.000 0.262 435 Q C -0.311 175.815 176.000 0.209 0.000 0.980 435 Q CA -0.344 55.573 55.803 0.190 0.000 0.867 435 Q CB 1.012 29.818 28.738 0.112 0.000 1.242 435 Q HN 0.830 nan 8.270 nan 0.000 0.453 436 E N 2.747 123.125 120.200 0.296 0.000 3.437 436 E HA -0.338 4.011 4.350 -0.001 0.000 0.407 436 E C -0.070 176.612 176.600 0.137 0.000 1.489 436 E CA 2.250 58.794 56.400 0.241 0.000 1.375 436 E CB -0.639 29.144 29.700 0.139 0.000 1.472 436 E HN 0.736 nan 8.360 nan 0.000 0.418 437 K N 0.030 120.477 120.400 0.078 0.000 2.520 437 K HA 0.230 4.549 4.320 -0.001 0.000 0.206 437 K C -0.688 175.934 176.600 0.036 0.000 1.122 437 K CA 0.179 56.481 56.287 0.025 0.000 1.045 437 K CB 1.391 33.895 32.500 0.007 0.000 0.932 437 K HN 0.048 nan 8.250 nan 0.000 0.571 438 T N 1.779 116.371 114.554 0.065 0.000 2.743 438 T HA 0.230 4.579 4.350 -0.001 0.000 0.292 438 T C -0.705 174.042 174.700 0.079 0.000 0.972 438 T CA -0.552 61.583 62.100 0.059 0.000 0.967 438 T CB 0.774 69.676 68.868 0.057 0.000 0.926 438 T HN -0.069 nan 8.240 nan 0.000 0.459 439 L N 5.304 126.567 121.223 0.067 0.000 2.500 439 L HA 0.144 4.484 4.340 -0.001 0.000 0.272 439 L C 1.040 177.964 176.870 0.090 0.000 1.149 439 L CA 0.564 55.458 54.840 0.090 0.000 0.897 439 L CB 0.537 42.632 42.059 0.061 0.000 1.178 439 L HN 0.535 nan 8.230 nan 0.000 0.473 440 V N 5.668 125.650 119.914 0.113 0.000 3.431 440 V HA 0.246 4.365 4.120 -0.001 0.000 0.253 440 V C 0.507 176.654 176.094 0.090 0.000 1.184 440 V CA 0.472 62.827 62.300 0.092 0.000 1.104 440 V CB 0.165 32.043 31.823 0.092 0.000 0.799 440 V HN 0.814 nan 8.190 nan 0.000 0.462 441 M N 0.735 120.406 119.600 0.118 0.000 2.371 441 M HA 0.481 4.960 4.480 -0.001 0.000 0.287 441 M C -2.022 174.375 176.300 0.163 0.000 1.149 441 M CA -0.397 54.970 55.300 0.111 0.000 0.929 441 M CB 2.072 34.728 32.600 0.093 0.000 1.683 441 M HN 0.110 nan 8.290 nan 0.000 0.470 442 N N 4.077 122.858 118.700 0.134 0.000 2.549 442 N HA 0.553 5.292 4.740 -0.001 0.000 0.290 442 N C -2.257 173.324 175.510 0.119 0.000 1.122 442 N CA -0.244 52.910 53.050 0.174 0.000 0.885 442 N CB 1.780 40.339 38.487 0.120 0.000 1.455 442 N HN 0.850 nan 8.380 nan 0.000 0.521 443 K N 0.683 121.169 120.400 0.144 0.000 2.548 443 K HA 0.347 4.666 4.320 -0.001 0.000 0.282 443 K C -1.330 175.361 176.600 0.151 0.000 1.006 443 K CA -0.788 55.530 56.287 0.051 0.000 0.892 443 K CB 1.263 33.783 32.500 0.033 0.000 1.499 443 K HN 0.710 nan 8.250 nan 0.000 0.433 444 H N -1.315 117.892 119.070 0.229 0.000 2.472 444 H HA 0.401 4.956 4.556 -0.001 0.000 0.335 444 H C 0.378 175.872 175.328 0.278 0.000 1.136 444 H CA -0.885 55.338 56.048 0.292 0.000 1.264 444 H CB 1.085 31.087 29.762 0.401 0.000 1.486 444 H HN 0.257 nan 8.280 nan 0.000 0.517 445 V N -1.002 119.204 119.914 0.488 0.000 3.398 445 V HA 0.709 4.828 4.120 -0.001 0.000 0.298 445 V C 0.640 176.938 176.094 0.340 0.000 1.496 445 V CA 0.523 63.029 62.300 0.343 0.000 1.044 445 V CB -0.150 31.778 31.823 0.175 0.000 0.880 445 V HN 1.259 nan 8.190 nan 0.000 0.443 446 G N 0.291 109.372 108.800 0.468 0.000 2.341 446 G HA2 0.411 4.370 3.960 -0.001 0.000 0.293 446 G HA3 0.411 4.370 3.960 -0.001 0.000 0.293 446 G C -1.263 173.876 174.900 0.398 0.000 1.298 446 G CA -0.194 45.122 45.100 0.361 0.000 0.868 446 G HN 0.984 nan 8.290 nan 0.000 0.540 447 H N -1.724 117.573 119.070 0.378 0.000 2.908 447 H HA 0.874 5.429 4.556 -0.001 0.000 0.350 447 H C -1.747 173.737 175.328 0.261 0.000 1.217 447 H CA -1.129 55.029 56.048 0.182 0.000 1.168 447 H CB 2.409 32.219 29.762 0.080 0.000 1.891 447 H HN 0.996 nan 8.280 nan 0.000 0.566 448 L N 1.546 122.943 121.223 0.290 0.000 2.528 448 L HA 0.326 4.665 4.340 -0.001 0.000 0.267 448 L C -1.976 174.994 176.870 0.167 0.000 0.961 448 L CA -0.691 54.299 54.840 0.250 0.000 0.866 448 L CB 1.785 43.941 42.059 0.161 0.000 1.248 448 L HN 0.556 nan 8.230 nan 0.000 0.404 449 L N 5.332 126.677 121.223 0.203 0.000 2.272 449 L HA 0.626 4.966 4.340 -0.001 0.000 0.289 449 L C -0.545 176.392 176.870 0.112 0.000 1.032 449 L CA 0.095 55.022 54.840 0.146 0.000 0.810 449 L CB 0.855 43.022 42.059 0.179 0.000 1.205 449 L HN 0.634 nan 8.230 nan 0.000 0.422 450 R N 3.273 123.806 120.500 0.055 0.000 2.445 450 R HA 0.705 5.044 4.340 -0.001 0.000 0.308 450 R C -0.817 175.509 176.300 0.043 0.000 0.961 450 R CA -0.657 55.456 56.100 0.022 0.000 0.862 450 R CB 1.836 32.113 30.300 -0.038 0.000 1.144 450 R HN 0.564 nan 8.270 nan 0.000 0.447 451 T N 2.778 117.369 114.554 0.061 0.000 2.887 451 T HA 0.487 4.837 4.350 -0.001 0.000 0.288 451 T C -0.816 173.899 174.700 0.026 0.000 1.021 451 T CA -0.958 61.190 62.100 0.080 0.000 1.000 451 T CB 1.748 70.717 68.868 0.167 0.000 1.034 451 T HN 0.602 nan 8.240 nan 0.000 0.467 452 K N -0.039 120.365 120.400 0.007 0.000 2.536 452 K HA 0.831 5.150 4.320 -0.001 0.000 0.269 452 K C -1.039 175.572 176.600 0.018 0.000 0.965 452 K CA -1.206 55.098 56.287 0.028 0.000 0.860 452 K CB 1.746 34.265 32.500 0.032 0.000 1.423 452 K HN 0.602 nan 8.250 nan 0.000 0.438 453 A N 1.646 124.532 122.820 0.109 0.000 2.477 453 A HA 0.142 4.461 4.320 -0.001 0.000 0.246 453 A C 0.976 178.512 177.584 -0.080 0.000 1.078 453 A CA -0.518 51.513 52.037 -0.009 0.000 0.770 453 A CB -0.113 18.879 19.000 -0.014 0.000 1.011 453 A HN 0.796 nan 8.150 nan 0.000 0.494 454 I N 1.247 121.733 120.570 -0.140 0.000 2.399 454 I HA -0.220 3.949 4.170 -0.001 0.000 0.254 454 I C 2.397 178.416 176.117 -0.164 0.000 1.146 454 I CA 2.138 63.356 61.300 -0.137 0.000 1.412 454 I CB -0.273 37.651 38.000 -0.126 0.000 1.076 454 I HN 0.839 nan 8.210 nan 0.000 0.432 455 E N -0.383 119.659 120.200 -0.264 0.000 2.418 455 E HA -0.183 4.167 4.350 -0.001 0.000 0.197 455 E C 0.063 176.488 176.600 -0.291 0.000 1.026 455 E CA 0.603 56.834 56.400 -0.281 0.000 0.862 455 E CB -0.701 28.819 29.700 -0.299 0.000 0.799 455 E HN 0.495 nan 8.360 nan 0.000 0.518 456 H N 0.749 119.752 119.070 -0.111 0.000 2.723 456 H HA 0.372 4.928 4.556 -0.001 0.000 0.294 456 H C 0.776 175.975 175.328 -0.215 0.000 1.079 456 H CA 0.380 56.344 56.048 -0.139 0.000 1.411 456 H CB 1.670 31.366 29.762 -0.109 0.000 1.439 456 H HN 0.192 nan 8.280 nan 0.000 0.474 457 A N 3.536 126.216 122.820 -0.233 0.000 1.929 457 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 457 A C 1.122 178.315 177.584 -0.653 0.000 1.176 457 A CA 1.046 52.723 52.037 -0.599 0.000 0.628 457 A CB 0.002 18.358 19.000 -1.074 0.000 0.816 457 A HN 0.658 nan 8.150 nan 0.000 0.444 458 D N -3.103 117.050 120.400 -0.411 0.000 2.496 458 D HA 0.561 5.200 4.640 -0.001 0.000 0.283 458 D C 0.564 176.834 176.300 -0.050 0.000 1.214 458 D CA 0.840 54.775 54.000 -0.108 0.000 1.089 458 D CB 1.095 41.925 40.800 0.049 0.000 1.141 458 D HN 0.338 nan 8.370 nan 0.000 0.580 459 G N -2.522 106.265 108.800 -0.021 0.000 2.588 459 G HA2 0.547 4.506 3.960 -0.001 0.000 0.281 459 G HA3 0.547 4.506 3.960 -0.001 0.000 0.281 459 G C -0.621 174.249 174.900 -0.051 0.000 1.223 459 G CA 0.035 45.101 45.100 -0.056 0.000 0.871 459 G HN 1.050 nan 8.290 nan 0.000 0.492 460 G N -2.205 106.562 108.800 -0.054 0.000 2.895 460 G HA2 0.228 4.188 3.960 -0.001 0.000 0.686 460 G HA3 0.228 4.188 3.960 -0.001 0.000 0.686 460 G C 0.530 175.385 174.900 -0.076 0.000 1.108 460 G CA 0.163 45.240 45.100 -0.039 0.000 0.761 460 G HN 1.429 nan 8.290 nan 0.000 0.611 461 V N 2.436 122.278 119.914 -0.119 0.000 2.273 461 V HA 0.037 4.157 4.120 -0.001 0.000 0.242 461 V C 3.292 179.373 176.094 -0.022 0.000 1.035 461 V CA 3.050 65.219 62.300 -0.218 0.000 1.013 461 V CB -1.159 30.224 31.823 -0.733 0.000 0.652 461 V HN 1.762 nan 8.190 nan 0.000 0.452 462 A N 0.202 123.133 122.820 0.185 0.000 1.978 462 A HA -0.100 4.219 4.320 -0.001 0.000 0.220 462 A C 2.242 179.888 177.584 0.103 0.000 1.170 462 A CA 1.934 54.108 52.037 0.228 0.000 0.636 462 A CB -0.698 18.457 19.000 0.258 0.000 0.810 462 A HN 0.607 nan 8.150 nan 0.000 0.448 463 A N -1.857 121.000 122.820 0.062 0.000 2.239 463 A HA 0.376 4.695 4.320 -0.001 0.000 0.209 463 A C 1.834 179.408 177.584 -0.016 0.000 1.171 463 A CA 1.306 53.358 52.037 0.026 0.000 0.768 463 A CB -0.965 18.045 19.000 0.017 0.000 0.790 463 A HN 1.923 nan 8.150 nan 0.000 0.478 464 G N -2.597 106.183 108.800 -0.033 0.000 2.141 464 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.242 464 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.242 464 G C 0.713 175.527 174.900 -0.143 0.000 0.982 464 G CA 0.514 45.574 45.100 -0.066 0.000 0.662 464 G HN 0.667 nan 8.290 nan 0.000 0.527 465 V N 0.076 119.876 119.914 -0.190 0.000 2.735 465 V HA 0.653 4.772 4.120 -0.001 0.000 0.234 465 V C 1.940 177.883 176.094 -0.250 0.000 1.121 465 V CA 1.580 63.667 62.300 -0.355 0.000 1.160 465 V CB -0.334 31.253 31.823 -0.394 0.000 0.908 465 V HN 1.071 nan 8.190 nan 0.000 0.495 466 A N 1.002 123.724 122.820 -0.164 0.000 2.287 466 A HA 0.628 4.947 4.320 -0.001 0.000 0.273 466 A C -0.274 177.250 177.584 -0.100 0.000 1.091 466 A CA 0.224 52.196 52.037 -0.108 0.000 0.817 466 A CB 0.870 19.813 19.000 -0.095 0.000 1.069 466 A HN 0.755 nan 8.150 nan 0.000 0.492 467 V N -0.617 119.267 119.914 -0.050 0.000 3.113 467 V HA 0.715 4.834 4.120 -0.001 0.000 0.316 467 V C -0.196 175.902 176.094 0.005 0.000 1.125 467 V CA -1.114 61.170 62.300 -0.026 0.000 1.026 467 V CB 1.201 33.036 31.823 0.021 0.000 1.080 467 V HN 0.786 nan 8.190 nan 0.000 0.444 468 L N 2.132 123.382 121.223 0.046 0.000 2.426 468 L HA 0.573 4.912 4.340 -0.001 0.000 0.271 468 L C -0.046 176.957 176.870 0.222 0.000 1.169 468 L CA 0.494 55.390 54.840 0.094 0.000 0.836 468 L CB 0.552 42.671 42.059 0.100 0.000 1.112 468 L HN 0.867 nan 8.230 nan 0.000 0.465 469 D N 0.988 121.534 120.400 0.244 0.000 2.677 469 D HA 0.409 5.048 4.640 -0.001 0.000 0.298 469 D C -1.512 175.000 176.300 0.353 0.000 1.250 469 D CA -0.517 53.688 54.000 0.343 0.000 0.888 469 D CB 1.913 42.862 40.800 0.250 0.000 1.397 469 D HN 0.379 nan 8.370 nan 0.000 0.461 470 N N 0.453 119.366 118.700 0.355 0.000 2.235 470 N HA 0.384 5.123 4.740 -0.001 0.000 0.293 470 N C -2.705 172.944 175.510 0.231 0.000 1.083 470 N CA -1.107 52.143 53.050 0.334 0.000 0.801 470 N CB 3.091 41.848 38.487 0.449 0.000 1.559 470 N HN 0.152 nan 8.380 nan 0.000 0.472 471 P HA 0.106 nan 4.420 nan 0.000 0.280 471 P C -1.074 176.300 177.300 0.124 0.000 1.300 471 P CA -0.013 63.153 63.100 0.110 0.000 0.785 471 P CB -0.125 31.562 31.700 -0.022 0.000 0.874 472 Y N 7.055 127.397 120.300 0.070 0.000 2.535 472 Y HA 0.312 4.861 4.550 -0.001 0.000 0.349 472 Y C -2.105 173.809 175.900 0.023 0.000 0.992 472 Y CA -2.586 55.566 58.100 0.087 0.000 1.248 472 Y CB 0.603 39.174 38.460 0.185 0.000 1.124 472 Y HN 0.313 nan 8.280 nan 0.000 0.520 473 P HA 0.033 nan 4.420 nan 0.000 0.265 473 P C -0.813 176.415 177.300 -0.120 0.000 1.222 473 P CA 0.475 63.479 63.100 -0.160 0.000 0.767 473 P CB 0.838 32.430 31.700 -0.181 0.000 0.801 474 V N 0.000 119.881 119.914 -0.055 0.000 2.409 474 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 474 V CA 0.000 62.280 62.300 -0.034 0.000 1.235 474 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 474 V HN 0.000 nan 8.190 nan 0.000 0.556