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 3i6t_1_A DATA FIRST_RESID 3 DATA SEQUENCE DQSQIIAGFT LWHLSLPVTX XXXXXXXXXX GAVEVVVLRL QADSGAVGYG DATA SEQUENCE EASPWVVFTG SVEATYAALD RYLRPLVLGR AVGDHAAIME DARAAVAHCT DATA SEQUENCE EAKAALDTAL YDLRARIAGV PVWALLGGRC RDRIPLSCSI ADPDFDKDLA DATA SEQUENCE LMQRLQDDDV RIIKLKTGFK DHAFDMMRLE RLRADFPAFD IRVDYNQGLH DATA SEQUENCE HDVALARVRD VATFKPTFIE QPVKAHLRGL MARIRDAVDV PLLADESIFG DATA SEQUENCE PEDMAEHPEI ADGVSIKIMK SGGLTRAQTV ARMAAARGLS AYGGDMFEAG DATA SEQUENCE LAHLAGAHMI AATPEITLGC EFYQATYFLC DDILAAPFPV ADGHVLVPDT DATA SEQUENCE PGLGVDVDED ALARFAV 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 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.298 176.300 -0.003 0.000 2.045 3 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 3 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 4 Q N 0.709 120.509 119.800 -0.000 0.000 2.364 4 Q HA 0.004 4.343 4.340 -0.001 0.000 0.207 4 Q C 2.180 178.180 176.000 -0.001 0.000 0.970 4 Q CA 1.766 57.569 55.803 0.001 0.000 0.888 4 Q CB 0.088 28.829 28.738 0.005 0.000 0.951 4 Q HN 0.789 nan 8.270 nan 0.000 0.469 5 S N -0.412 115.287 115.700 -0.002 0.000 2.577 5 S HA 0.042 4.511 4.470 -0.001 0.000 0.219 5 S C 0.676 175.272 174.600 -0.007 0.000 0.962 5 S CA -0.605 57.592 58.200 -0.004 0.000 0.921 5 S CB -0.165 63.034 63.200 -0.003 0.000 0.789 5 S HN 0.382 nan 8.310 nan 0.000 0.497 6 Q N 1.673 121.468 119.800 -0.008 0.000 2.361 6 Q HA 0.367 4.706 4.340 -0.001 0.000 0.276 6 Q C 0.166 176.158 176.000 -0.014 0.000 1.022 6 Q CA -0.699 55.097 55.803 -0.011 0.000 0.898 6 Q CB 0.100 28.831 28.738 -0.011 0.000 1.246 6 Q HN 0.598 nan 8.270 nan 0.000 0.410 7 I N -0.346 120.215 120.570 -0.014 0.000 2.834 7 I HA 0.403 4.572 4.170 -0.001 0.000 0.305 7 I C -0.419 175.688 176.117 -0.017 0.000 1.008 7 I CA -0.998 60.293 61.300 -0.015 0.000 1.273 7 I CB 0.707 38.699 38.000 -0.013 0.000 1.432 7 I HN 0.627 nan 8.210 nan 0.000 0.557 8 I N 3.718 124.278 120.570 -0.016 0.000 2.337 8 I HA 0.331 4.500 4.170 -0.001 0.000 0.291 8 I C 0.868 176.984 176.117 -0.002 0.000 1.046 8 I CA -0.067 61.227 61.300 -0.011 0.000 1.324 8 I CB 1.380 39.380 38.000 -0.000 0.000 1.409 8 I HN 0.900 nan 8.210 nan 0.000 0.494 9 A N 5.025 127.843 122.820 -0.004 0.000 2.288 9 A HA 0.522 4.842 4.320 -0.001 0.000 0.216 9 A C 0.888 178.476 177.584 0.006 0.000 1.199 9 A CA 0.211 52.246 52.037 -0.003 0.000 0.891 9 A CB 0.361 19.355 19.000 -0.009 0.000 0.923 9 A HN 0.730 nan 8.150 nan 0.000 0.500 10 G N -1.260 107.550 108.800 0.016 0.000 2.620 10 G HA2 0.532 4.491 3.960 -0.001 0.000 0.301 10 G HA3 0.532 4.491 3.960 -0.001 0.000 0.301 10 G C -1.550 173.398 174.900 0.081 0.000 1.347 10 G CA -0.524 44.593 45.100 0.028 0.000 0.971 10 G HN 0.331 nan 8.290 nan 0.000 0.488 11 F N 1.893 121.787 119.950 -0.092 0.000 2.831 11 F HA 0.551 5.077 4.527 -0.001 0.000 0.346 11 F C -0.687 175.032 175.800 -0.134 0.000 1.224 11 F CA -0.396 57.542 58.000 -0.102 0.000 1.048 11 F CB 1.854 40.797 39.000 -0.096 0.000 1.339 11 F HN 0.470 nan 8.300 nan 0.000 0.514 12 T N 6.691 121.148 114.554 -0.163 0.000 2.861 12 T HA 0.626 4.975 4.350 -0.001 0.000 0.287 12 T C -0.815 173.675 174.700 -0.351 0.000 1.003 12 T CA -0.605 61.336 62.100 -0.266 0.000 0.977 12 T CB 1.930 70.575 68.868 -0.372 0.000 0.996 12 T HN 0.413 nan 8.240 nan 0.000 0.448 13 L N 2.249 123.250 121.223 -0.371 0.000 2.346 13 L HA 0.640 4.980 4.340 -0.001 0.000 0.274 13 L C -0.839 175.924 176.870 -0.180 0.000 1.007 13 L CA -0.913 53.834 54.840 -0.155 0.000 0.818 13 L CB 1.927 43.891 42.059 -0.158 0.000 1.284 13 L HN 0.468 nan 8.230 nan 0.000 0.424 14 W N 1.632 123.046 121.300 0.189 0.000 2.739 14 W HA 0.314 4.973 4.660 -0.001 0.000 0.331 14 W C -0.482 176.231 176.519 0.325 0.000 1.049 14 W CA -0.677 56.810 57.345 0.237 0.000 1.234 14 W CB 1.754 31.313 29.460 0.165 0.000 1.404 14 W HN 0.580 nan 8.180 nan 0.000 0.477 15 H N 3.917 123.231 119.070 0.407 0.000 2.640 15 H HA 0.458 5.014 4.556 -0.001 0.000 0.297 15 H C -0.735 174.720 175.328 0.212 0.000 1.073 15 H CA -0.246 55.963 56.048 0.269 0.000 1.305 15 H CB 0.633 30.444 29.762 0.082 0.000 1.404 15 H HN 0.277 nan 8.280 nan 0.000 0.459 16 L N 3.584 125.070 121.223 0.438 0.000 2.344 16 L HA 0.332 4.671 4.340 -0.001 0.000 0.272 16 L C 0.126 177.115 176.870 0.198 0.000 1.035 16 L CA -0.820 54.173 54.840 0.256 0.000 0.807 16 L CB 1.880 44.050 42.059 0.186 0.000 1.237 16 L HN 0.479 nan 8.230 nan 0.000 0.442 17 S N 2.375 118.140 115.700 0.108 0.000 2.552 17 S HA 0.664 5.133 4.470 -0.001 0.000 0.314 17 S C -0.908 173.680 174.600 -0.021 0.000 1.099 17 S CA -0.557 57.669 58.200 0.045 0.000 1.070 17 S CB 0.540 63.752 63.200 0.020 0.000 0.998 17 S HN 0.445 nan 8.310 nan 0.000 0.474 18 L N 6.302 127.434 121.223 -0.150 0.000 2.319 18 L HA 0.495 4.834 4.340 -0.001 0.000 0.281 18 L C -2.389 174.301 176.870 -0.300 0.000 1.005 18 L CA -2.267 52.344 54.840 -0.381 0.000 0.828 18 L CB 1.934 43.742 42.059 -0.417 0.000 1.227 18 L HN 0.433 nan 8.230 nan 0.000 0.415 19 P HA 0.111 nan 4.420 nan 0.000 0.271 19 P C -0.794 176.313 177.300 -0.320 0.000 1.218 19 P CA -0.207 62.759 63.100 -0.225 0.000 0.780 19 P CB 1.068 32.693 31.700 -0.125 0.000 0.901 20 V N -0.907 118.773 119.914 -0.389 0.000 3.074 20 V HA 0.755 4.874 4.120 -0.001 0.000 0.314 20 V C 0.302 176.102 176.094 -0.489 0.000 1.117 20 V CA -0.793 61.116 62.300 -0.651 0.000 1.014 20 V CB 1.233 32.314 31.823 -1.237 0.000 1.057 20 V HN 0.647 nan 8.190 nan 0.000 0.438 34 A N -0.904 121.828 122.820 -0.147 0.000 2.587 34 A HA 0.981 5.301 4.320 -0.001 0.000 0.293 34 A C -0.550 176.947 177.584 -0.145 0.000 1.087 34 A CA -0.126 51.819 52.037 -0.153 0.000 0.692 34 A CB 1.746 20.692 19.000 -0.091 0.000 1.291 34 A HN 2.332 nan 8.150 nan 0.000 0.407 35 V N -1.035 118.795 119.914 -0.140 0.000 2.628 35 V HA 0.772 4.892 4.120 -0.001 0.000 0.306 35 V C -0.567 175.517 176.094 -0.016 0.000 1.045 35 V CA -0.571 61.679 62.300 -0.084 0.000 0.905 35 V CB 1.539 33.322 31.823 -0.066 0.000 0.997 35 V HN 0.863 nan 8.190 nan 0.000 0.436 36 E N 2.980 123.210 120.200 0.049 0.000 2.175 36 E HA 0.668 5.017 4.350 -0.001 0.000 0.278 36 E C -0.555 176.113 176.600 0.114 0.000 0.969 36 E CA -0.626 55.852 56.400 0.130 0.000 0.796 36 E CB 2.210 32.042 29.700 0.220 0.000 1.104 36 E HN 0.961 nan 8.360 nan 0.000 0.395 37 V N -0.370 119.623 119.914 0.131 0.000 3.141 37 V HA 0.669 4.788 4.120 -0.001 0.000 0.312 37 V C -0.717 175.469 176.094 0.153 0.000 1.157 37 V CA -0.873 61.490 62.300 0.105 0.000 1.041 37 V CB 1.984 33.839 31.823 0.054 0.000 1.071 37 V HN 0.342 nan 8.190 nan 0.000 0.441 38 V N 1.672 121.669 119.914 0.138 0.000 2.495 38 V HA 0.636 4.755 4.120 -0.001 0.000 0.298 38 V C -0.261 175.940 176.094 0.179 0.000 1.031 38 V CA -0.477 61.942 62.300 0.199 0.000 0.871 38 V CB 1.669 33.602 31.823 0.182 0.000 0.988 38 V HN 0.804 nan 8.190 nan 0.000 0.432 39 V N 5.640 125.711 119.914 0.263 0.000 2.513 39 V HA 0.529 4.649 4.120 -0.001 0.000 0.299 39 V C -0.457 175.835 176.094 0.330 0.000 1.035 39 V CA -0.639 61.811 62.300 0.250 0.000 0.889 39 V CB 1.759 33.694 31.823 0.187 0.000 0.988 39 V HN 0.669 nan 8.190 nan 0.000 0.440 40 L N 5.329 126.661 121.223 0.181 0.000 2.322 40 L HA 0.676 5.016 4.340 -0.001 0.000 0.281 40 L C -0.328 176.573 176.870 0.053 0.000 1.014 40 L CA -0.217 54.627 54.840 0.008 0.000 0.815 40 L CB 1.428 43.363 42.059 -0.208 0.000 1.247 40 L HN 0.706 nan 8.230 nan 0.000 0.421 41 R N 5.191 125.689 120.500 -0.002 0.000 2.494 41 R HA 0.666 5.005 4.340 -0.001 0.000 0.305 41 R C -1.702 174.414 176.300 -0.308 0.000 0.959 41 R CA -0.662 55.290 56.100 -0.247 0.000 0.864 41 R CB 1.079 31.297 30.300 -0.138 0.000 1.159 41 R HN 0.784 nan 8.270 nan 0.000 0.446 42 L N 3.413 124.442 121.223 -0.324 0.000 2.325 42 L HA 0.460 4.799 4.340 -0.001 0.000 0.278 42 L C -0.322 176.437 176.870 -0.185 0.000 1.023 42 L CA -0.679 54.026 54.840 -0.224 0.000 0.811 42 L CB 1.934 43.879 42.059 -0.189 0.000 1.249 42 L HN 0.588 nan 8.230 nan 0.000 0.431 43 Q N 1.966 121.702 119.800 -0.107 0.000 2.321 43 Q HA 0.671 5.010 4.340 -0.001 0.000 0.270 43 Q C -1.102 174.868 176.000 -0.050 0.000 1.032 43 Q CA -0.588 55.167 55.803 -0.080 0.000 0.784 43 Q CB 2.317 31.022 28.738 -0.054 0.000 1.264 43 Q HN 0.779 nan 8.270 nan 0.000 0.448 44 A N 2.782 125.574 122.820 -0.048 0.000 2.257 44 A HA 0.148 4.467 4.320 -0.001 0.000 0.289 44 A C 0.473 178.044 177.584 -0.023 0.000 1.095 44 A CA -0.144 51.873 52.037 -0.034 0.000 0.836 44 A CB 0.528 19.507 19.000 -0.035 0.000 1.111 44 A HN 1.015 nan 8.150 nan 0.000 0.497 45 D N 0.216 120.605 120.400 -0.018 0.000 2.172 45 D HA -0.183 4.456 4.640 -0.001 0.000 0.196 45 D C 2.157 178.450 176.300 -0.011 0.000 0.999 45 D CA 2.429 56.421 54.000 -0.013 0.000 0.856 45 D CB 0.029 40.822 40.800 -0.012 0.000 0.934 45 D HN 0.566 nan 8.370 nan 0.000 0.453 46 S N -1.914 113.778 115.700 -0.012 0.000 2.481 46 S HA 0.142 4.612 4.470 -0.001 0.000 0.231 46 S C 1.861 176.457 174.600 -0.008 0.000 0.996 46 S CA 1.039 59.233 58.200 -0.009 0.000 0.942 46 S CB 0.250 63.444 63.200 -0.010 0.000 0.768 46 S HN 0.444 nan 8.310 nan 0.000 0.520 47 G N 0.706 109.499 108.800 -0.011 0.000 2.213 47 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.226 47 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.226 47 G C 0.301 175.193 174.900 -0.013 0.000 0.992 47 G CA -0.085 45.009 45.100 -0.009 0.000 0.632 47 G HN 1.273 nan 8.290 nan 0.000 0.511 48 A N -0.082 122.727 122.820 -0.018 0.000 2.483 48 A HA 0.673 4.992 4.320 -0.001 0.000 0.238 48 A C 0.802 178.359 177.584 -0.046 0.000 1.070 48 A CA 0.809 52.833 52.037 -0.022 0.000 0.770 48 A CB 0.520 19.507 19.000 -0.022 0.000 1.008 48 A HN 1.963 nan 8.150 nan 0.000 0.497 49 V N -0.756 119.125 119.914 -0.055 0.000 3.001 49 V HA 1.004 5.123 4.120 -0.001 0.000 0.314 49 V C 0.108 176.117 176.094 -0.140 0.000 1.099 49 V CA -0.058 62.159 62.300 -0.138 0.000 0.989 49 V CB 1.624 33.330 31.823 -0.194 0.000 1.040 49 V HN 1.657 nan 8.190 nan 0.000 0.434 50 G N 0.755 109.399 108.800 -0.260 0.000 2.706 50 G HA2 0.712 4.672 3.960 -0.001 0.000 0.297 50 G HA3 0.712 4.672 3.960 -0.001 0.000 0.297 50 G C -2.258 172.455 174.900 -0.312 0.000 1.403 50 G CA -0.660 44.343 45.100 -0.161 0.000 0.954 50 G HN 0.717 nan 8.290 nan 0.000 0.500 51 Y N -0.473 119.805 120.300 -0.037 0.000 2.536 51 Y HA 0.767 5.316 4.550 -0.001 0.000 0.347 51 Y C 0.697 176.575 175.900 -0.036 0.000 1.000 51 Y CA -0.421 57.657 58.100 -0.036 0.000 1.051 51 Y CB 2.975 41.407 38.460 -0.046 0.000 1.259 51 Y HN 0.844 nan 8.280 nan 0.000 0.468 52 G N 0.724 109.606 108.800 0.135 0.000 2.660 52 G HA2 0.553 4.513 3.960 -0.001 0.000 0.294 52 G HA3 0.553 4.513 3.960 -0.001 0.000 0.294 52 G C -2.052 172.888 174.900 0.067 0.000 1.369 52 G CA -0.803 44.341 45.100 0.073 0.000 0.912 52 G HN 0.506 nan 8.290 nan 0.000 0.479 53 E N -0.085 120.140 120.200 0.042 0.000 2.222 53 E HA 0.645 4.995 4.350 -0.001 0.000 0.267 53 E C -0.632 175.995 176.600 0.046 0.000 0.884 53 E CA -0.958 55.462 56.400 0.034 0.000 0.764 53 E CB 1.945 31.636 29.700 -0.015 0.000 1.169 53 E HN 0.678 nan 8.360 nan 0.000 0.413 54 A N 2.677 125.536 122.820 0.064 0.000 2.303 54 A HA 0.526 4.846 4.320 -0.001 0.000 0.320 54 A C -0.845 176.788 177.584 0.082 0.000 1.192 54 A CA -0.646 51.439 52.037 0.080 0.000 0.821 54 A CB 1.300 20.355 19.000 0.091 0.000 1.188 54 A HN 0.458 nan 8.150 nan 0.000 0.492 55 S N 4.256 120.010 115.700 0.090 0.000 2.130 55 S HA 0.421 4.890 4.470 -0.001 0.000 0.165 55 S C -2.891 171.798 174.600 0.148 0.000 1.677 55 S CA -0.844 57.415 58.200 0.098 0.000 1.227 55 S CB 0.485 63.723 63.200 0.064 0.000 1.115 55 S HN 0.577 nan 8.310 nan 0.000 0.452 56 P HA 0.324 nan 4.420 nan 0.000 0.277 56 P C -0.931 176.569 177.300 0.333 0.000 1.240 56 P CA -0.413 62.827 63.100 0.232 0.000 0.798 56 P CB 0.510 32.322 31.700 0.186 0.000 0.979 57 W N 3.787 125.179 121.300 0.153 0.000 2.554 57 W HA 0.259 4.918 4.660 -0.001 0.000 0.324 57 W C 0.727 177.301 176.519 0.091 0.000 1.018 57 W CA -0.934 56.500 57.345 0.148 0.000 1.243 57 W CB 1.140 30.722 29.460 0.203 0.000 1.345 57 W HN 0.136 nan 8.180 nan 0.000 0.441 58 V N 6.838 126.938 119.914 0.310 0.000 2.469 58 V HA -0.225 3.895 4.120 -0.001 0.000 0.251 58 V C 1.638 177.664 176.094 -0.113 0.000 1.064 58 V CA 3.440 65.793 62.300 0.088 0.000 1.066 58 V CB -0.371 31.504 31.823 0.088 0.000 0.667 58 V HN 0.532 nan 8.190 nan 0.000 0.461 59 V N -3.745 115.897 119.914 -0.453 0.000 3.217 59 V HA 0.068 4.187 4.120 -0.001 0.000 0.264 59 V C 1.911 177.689 176.094 -0.527 0.000 1.135 59 V CA 1.556 63.453 62.300 -0.673 0.000 1.142 59 V CB -0.490 30.670 31.823 -1.104 0.000 0.754 59 V HN 0.421 nan 8.190 nan 0.000 0.484 60 F N 1.149 120.946 119.950 -0.255 0.000 2.496 60 F HA 0.231 4.757 4.527 -0.001 0.000 0.274 60 F C 2.460 178.342 175.800 0.138 0.000 0.924 60 F CA 1.021 58.965 58.000 -0.094 0.000 1.147 60 F CB -0.756 38.132 39.000 -0.188 0.000 0.969 60 F HN 0.218 nan 8.300 nan 0.000 0.749 61 T N -2.221 112.557 114.554 0.374 0.000 3.040 61 T HA 0.587 4.936 4.350 -0.001 0.000 0.252 61 T C 1.016 175.857 174.700 0.236 0.000 1.064 61 T CA 0.594 62.928 62.100 0.390 0.000 1.110 61 T CB 0.404 69.493 68.868 0.369 0.000 0.921 61 T HN 0.490 nan 8.240 nan 0.000 0.480 62 G N 1.077 109.981 108.800 0.174 0.000 2.339 62 G HA2 0.342 4.302 3.960 -0.001 0.000 0.381 62 G HA3 0.342 4.302 3.960 -0.001 0.000 0.381 62 G C -0.571 174.409 174.900 0.133 0.000 1.400 62 G CA -0.478 44.692 45.100 0.116 0.000 1.002 62 G HN 0.888 nan 8.290 nan 0.000 0.633 63 S N -0.897 114.867 115.700 0.106 0.000 2.614 63 S HA 0.485 4.954 4.470 -0.001 0.000 0.265 63 S C 1.534 176.198 174.600 0.107 0.000 1.303 63 S CA 0.312 58.576 58.200 0.107 0.000 1.000 63 S CB 1.689 64.939 63.200 0.084 0.000 0.935 63 S HN 1.965 nan 8.310 nan 0.000 0.551 64 V N 1.438 121.402 119.914 0.084 0.000 2.407 64 V HA -0.142 3.977 4.120 -0.001 0.000 0.248 64 V C 2.274 178.376 176.094 0.014 0.000 1.055 64 V CA 2.435 64.746 62.300 0.019 0.000 1.049 64 V CB -1.122 30.657 31.823 -0.072 0.000 0.662 64 V HN 0.959 nan 8.190 nan 0.000 0.455 65 E N 0.558 120.783 120.200 0.042 0.000 2.110 65 E HA -0.092 4.258 4.350 -0.001 0.000 0.193 65 E C 2.234 178.923 176.600 0.148 0.000 0.988 65 E CA 1.486 57.936 56.400 0.084 0.000 0.804 65 E CB -0.625 29.122 29.700 0.078 0.000 0.745 65 E HN 0.688 nan 8.360 nan 0.000 0.458 66 A N 0.128 123.026 122.820 0.129 0.000 1.902 66 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 66 A C 2.395 180.077 177.584 0.163 0.000 1.181 66 A CA 1.988 54.111 52.037 0.143 0.000 0.623 66 A CB -0.965 18.108 19.000 0.123 0.000 0.818 66 A HN 0.247 nan 8.150 nan 0.000 0.443 67 T N -1.893 112.754 114.554 0.154 0.000 2.777 67 T HA -0.136 4.214 4.350 -0.001 0.000 0.266 67 T C 1.748 176.546 174.700 0.163 0.000 1.040 67 T CA 1.621 63.811 62.100 0.150 0.000 1.141 67 T CB -0.384 68.564 68.868 0.134 0.000 0.868 67 T HN 0.550 nan 8.240 nan 0.000 0.444 68 Y N 1.680 122.012 120.300 0.053 0.000 2.128 68 Y HA -0.117 4.432 4.550 -0.001 0.000 0.284 68 Y C 2.464 178.429 175.900 0.108 0.000 1.154 68 Y CA 1.306 59.444 58.100 0.063 0.000 1.149 68 Y CB -0.460 38.007 38.460 0.012 0.000 0.976 68 Y HN 0.197 nan 8.280 nan 0.000 0.505 69 A N 0.176 123.183 122.820 0.312 0.000 1.930 69 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 69 A C 2.381 180.128 177.584 0.271 0.000 1.175 69 A CA 1.583 53.783 52.037 0.272 0.000 0.627 69 A CB -1.432 17.747 19.000 0.299 0.000 0.815 69 A HN 0.591 nan 8.150 nan 0.000 0.443 70 A N -0.119 122.857 122.820 0.261 0.000 1.883 70 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 70 A C 2.190 179.895 177.584 0.203 0.000 1.186 70 A CA 1.663 53.865 52.037 0.276 0.000 0.624 70 A CB -0.636 18.462 19.000 0.162 0.000 0.822 70 A HN 0.471 nan 8.150 nan 0.000 0.444 71 L N -0.945 120.348 121.223 0.115 0.000 2.005 71 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 71 L C 2.461 179.357 176.870 0.044 0.000 1.072 71 L CA 1.822 56.748 54.840 0.142 0.000 0.744 71 L CB -0.520 41.594 42.059 0.093 0.000 0.895 71 L HN 0.433 nan 8.230 nan 0.000 0.433 72 D N -0.442 119.895 120.400 -0.104 0.000 2.117 72 D HA -0.201 4.439 4.640 -0.001 0.000 0.198 72 D C 2.340 178.510 176.300 -0.217 0.000 0.982 72 D CA 1.259 55.155 54.000 -0.173 0.000 0.828 72 D CB 0.197 40.868 40.800 -0.215 0.000 0.967 72 D HN 0.042 nan 8.370 nan 0.000 0.464 73 R N -2.015 118.337 120.500 -0.247 0.000 2.146 73 R HA 0.037 4.376 4.340 -0.001 0.000 0.206 73 R C 1.460 177.410 176.300 -0.584 0.000 1.049 73 R CA 0.504 56.310 56.100 -0.491 0.000 1.029 73 R CB 0.066 29.918 30.300 -0.748 0.000 0.949 73 R HN 0.245 nan 8.270 nan 0.000 0.471 74 Y N -0.629 119.630 120.300 -0.068 0.000 2.558 74 Y HA 0.194 4.743 4.550 -0.000 0.000 0.273 74 Y C 1.769 177.625 175.900 -0.073 0.000 1.100 74 Y CA 0.076 58.142 58.100 -0.056 0.000 1.276 74 Y CB 0.362 38.809 38.460 -0.021 0.000 1.196 74 Y HN -0.083 nan 8.280 nan 0.000 0.527 75 L N -0.329 120.922 121.223 0.046 0.000 2.168 75 L HA 0.012 4.351 4.340 -0.001 0.000 0.203 75 L C 2.563 179.313 176.870 -0.199 0.000 1.078 75 L CA 0.634 55.479 54.840 0.009 0.000 0.780 75 L CB -0.387 41.750 42.059 0.130 0.000 0.939 75 L HN 0.083 nan 8.230 nan 0.000 0.451 76 R N 1.312 121.489 120.500 -0.537 0.000 2.133 76 R HA -0.199 4.140 4.340 -0.001 0.000 0.245 76 R C -0.619 175.365 176.300 -0.527 0.000 1.137 76 R CA 2.342 57.796 56.100 -1.076 0.000 0.947 76 R CB -1.380 28.244 30.300 -1.127 0.000 0.865 76 R HN 0.242 nan 8.270 nan 0.000 0.437 77 P HA -0.085 nan 4.420 nan 0.000 0.233 77 P C 1.103 178.325 177.300 -0.130 0.000 1.167 77 P CA 1.100 64.081 63.100 -0.198 0.000 0.770 77 P CB -0.007 31.601 31.700 -0.154 0.000 0.837 78 L N -1.459 119.696 121.223 -0.113 0.000 2.529 78 L HA 0.059 4.398 4.340 -0.001 0.000 0.223 78 L C 2.161 179.006 176.870 -0.041 0.000 1.113 78 L CA 0.345 55.153 54.840 -0.053 0.000 0.861 78 L CB 0.001 42.049 42.059 -0.018 0.000 1.012 78 L HN -0.177 nan 8.230 nan 0.000 0.461 79 V N -0.890 118.986 119.914 -0.063 0.000 2.908 79 V HA 0.066 4.186 4.120 -0.001 0.000 0.240 79 V C 1.117 177.209 176.094 -0.005 0.000 1.117 79 V CA -0.051 62.252 62.300 0.005 0.000 1.133 79 V CB 0.381 32.284 31.823 0.133 0.000 0.857 79 V HN 0.106 nan 8.190 nan 0.000 0.478 80 L N 1.577 122.764 121.223 -0.060 0.000 2.499 80 L HA 0.382 4.721 4.340 -0.001 0.000 0.273 80 L C 1.453 178.300 176.870 -0.038 0.000 1.195 80 L CA 1.283 56.097 54.840 -0.043 0.000 0.882 80 L CB 0.317 42.320 42.059 -0.093 0.000 1.133 80 L HN 0.516 nan 8.230 nan 0.000 0.483 81 G N 2.230 111.017 108.800 -0.022 0.000 2.199 81 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.254 81 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.254 81 G C 0.483 175.372 174.900 -0.019 0.000 0.982 81 G CA -0.404 44.683 45.100 -0.023 0.000 0.632 81 G HN 0.487 nan 8.290 nan 0.000 0.529 82 R N 0.764 121.254 120.500 -0.017 0.000 2.615 82 R HA 0.620 4.959 4.340 -0.001 0.000 0.270 82 R C 0.789 177.081 176.300 -0.014 0.000 1.081 82 R CA 0.266 56.357 56.100 -0.014 0.000 1.154 82 R CB 0.260 30.552 30.300 -0.013 0.000 1.063 82 R HN 0.736 nan 8.270 nan 0.000 0.519 83 A N 1.556 124.369 122.820 -0.011 0.000 2.450 83 A HA 0.064 4.383 4.320 -0.001 0.000 0.255 83 A C 1.323 178.898 177.584 -0.014 0.000 1.096 83 A CA -0.344 51.687 52.037 -0.010 0.000 0.778 83 A CB 0.543 19.540 19.000 -0.005 0.000 1.031 83 A HN 0.601 nan 8.150 nan 0.000 0.494 84 V N 3.639 123.541 119.914 -0.021 0.000 2.667 84 V HA -0.070 4.049 4.120 -0.001 0.000 0.252 84 V C 2.172 178.258 176.094 -0.014 0.000 1.065 84 V CA 2.612 64.891 62.300 -0.036 0.000 1.083 84 V CB -0.678 31.118 31.823 -0.045 0.000 0.692 84 V HN 1.064 nan 8.190 nan 0.000 0.468 85 G N -0.843 107.958 108.800 0.002 0.000 2.498 85 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.219 85 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.219 85 G C 0.929 175.847 174.900 0.031 0.000 1.119 85 G CA 0.754 45.865 45.100 0.018 0.000 0.766 85 G HN 0.555 nan 8.290 nan 0.000 0.552 86 D N -0.811 119.604 120.400 0.025 0.000 2.325 86 D HA 0.087 4.727 4.640 -0.001 0.000 0.234 86 D C 1.470 177.809 176.300 0.064 0.000 1.122 86 D CA -0.193 53.825 54.000 0.031 0.000 0.850 86 D CB -0.325 40.484 40.800 0.015 0.000 0.921 86 D HN 0.560 nan 8.370 nan 0.000 0.513 87 H N 1.068 120.096 119.070 -0.071 0.000 2.304 87 H HA -0.326 4.230 4.556 -0.001 0.000 0.287 87 H C 1.938 177.215 175.328 -0.085 0.000 1.112 87 H CA 2.056 58.036 56.048 -0.112 0.000 1.200 87 H CB 0.417 30.062 29.762 -0.195 0.000 1.349 87 H HN 0.205 nan 8.280 nan 0.000 0.477 88 A N 0.612 123.474 122.820 0.070 0.000 1.902 88 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 88 A C 2.595 180.204 177.584 0.042 0.000 1.181 88 A CA 1.594 53.636 52.037 0.009 0.000 0.623 88 A CB -1.107 17.874 19.000 -0.032 0.000 0.818 88 A HN 0.651 nan 8.150 nan 0.000 0.443 89 A N -0.102 122.741 122.820 0.038 0.000 1.930 89 A HA -0.024 4.296 4.320 -0.001 0.000 0.217 89 A C 2.070 179.676 177.584 0.036 0.000 1.175 89 A CA 1.357 53.413 52.037 0.031 0.000 0.627 89 A CB -0.611 18.401 19.000 0.020 0.000 0.815 89 A HN 0.494 nan 8.150 nan 0.000 0.443 90 I N -0.728 119.868 120.570 0.043 0.000 2.208 90 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 90 I C 2.559 178.706 176.117 0.050 0.000 1.097 90 I CA 1.244 62.564 61.300 0.034 0.000 1.363 90 I CB -0.293 37.714 38.000 0.011 0.000 1.051 90 I HN 0.262 nan 8.210 nan 0.000 0.413 91 M N -0.332 119.315 119.600 0.078 0.000 2.288 91 M HA -0.096 4.384 4.480 -0.001 0.000 0.266 91 M C 2.218 178.557 176.300 0.064 0.000 1.072 91 M CA 1.400 56.751 55.300 0.085 0.000 1.132 91 M CB -0.942 31.735 32.600 0.130 0.000 1.386 91 M HN 0.190 nan 8.290 nan 0.000 0.432 92 E N 0.737 120.968 120.200 0.051 0.000 2.077 92 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 92 E C 1.541 178.160 176.600 0.031 0.000 0.989 92 E CA 1.256 57.678 56.400 0.037 0.000 0.800 92 E CB -0.288 29.428 29.700 0.028 0.000 0.746 92 E HN 0.479 nan 8.360 nan 0.000 0.452 93 D N 0.617 121.034 120.400 0.029 0.000 2.144 93 D HA -0.106 4.534 4.640 -0.001 0.000 0.199 93 D C 1.848 178.165 176.300 0.029 0.000 0.984 93 D CA 1.329 55.343 54.000 0.023 0.000 0.834 93 D CB -0.268 40.543 40.800 0.019 0.000 0.955 93 D HN 0.151 nan 8.370 nan 0.000 0.465 94 A N 1.002 123.847 122.820 0.040 0.000 1.902 94 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 94 A C 2.194 179.804 177.584 0.043 0.000 1.181 94 A CA 1.196 53.263 52.037 0.050 0.000 0.623 94 A CB -0.393 18.646 19.000 0.066 0.000 0.818 94 A HN 0.105 nan 8.150 nan 0.000 0.443 95 R N -0.660 119.865 120.500 0.041 0.000 2.075 95 R HA -0.057 4.282 4.340 -0.001 0.000 0.232 95 R C 2.391 178.693 176.300 0.004 0.000 1.126 95 R CA 1.153 57.272 56.100 0.030 0.000 0.963 95 R CB -0.421 29.902 30.300 0.038 0.000 0.858 95 R HN 0.503 nan 8.270 nan 0.000 0.435 96 A N 0.832 123.655 122.820 0.004 0.000 2.067 96 A HA -0.024 4.295 4.320 -0.001 0.000 0.219 96 A C 2.181 179.751 177.584 -0.023 0.000 1.158 96 A CA 1.483 53.513 52.037 -0.012 0.000 0.661 96 A CB -0.291 18.707 19.000 -0.004 0.000 0.801 96 A HN 0.390 nan 8.150 nan 0.000 0.452 97 A N -1.365 121.449 122.820 -0.011 0.000 2.021 97 A HA 0.438 4.757 4.320 -0.001 0.000 0.216 97 A C 0.817 178.359 177.584 -0.070 0.000 1.163 97 A CA 1.234 53.266 52.037 -0.008 0.000 0.676 97 A CB -0.095 18.929 19.000 0.040 0.000 0.818 97 A HN 1.033 nan 8.150 nan 0.000 0.453 98 V N -0.908 118.950 119.914 -0.093 0.000 2.817 98 V HA 0.633 4.753 4.120 -0.001 0.000 0.303 98 V C -0.431 175.566 176.094 -0.163 0.000 1.151 98 V CA -0.563 61.630 62.300 -0.179 0.000 0.929 98 V CB 1.384 33.110 31.823 -0.161 0.000 1.030 98 V HN 0.680 nan 8.190 nan 0.000 0.427 99 A N 5.864 128.531 122.820 -0.256 0.000 2.407 99 A HA 0.765 5.084 4.320 -0.001 0.000 0.248 99 A C 0.568 177.938 177.584 -0.357 0.000 1.082 99 A CA 0.750 52.529 52.037 -0.430 0.000 0.785 99 A CB -0.135 18.455 19.000 -0.684 0.000 1.020 99 A HN 1.691 nan 8.150 nan 0.000 0.489 100 H N -0.369 118.690 119.070 -0.018 0.000 1.452 100 H HA -0.208 4.347 4.556 -0.001 0.000 0.090 100 H C 0.924 176.284 175.328 0.052 0.000 2.770 100 H CA 0.234 56.286 56.048 0.006 0.000 1.901 100 H CB -1.837 27.923 29.762 -0.003 0.000 2.257 100 H HN 1.652 nan 8.280 nan 0.000 0.961 101 C N 0.146 119.589 119.300 0.238 0.000 4.167 101 C HA -0.167 4.293 4.460 -0.001 0.000 0.302 101 C C 2.195 177.291 174.990 0.176 0.000 1.384 101 C CA 1.589 60.715 59.018 0.180 0.000 2.041 101 C CB -3.151 24.671 27.740 0.137 0.000 1.303 101 C HN 1.012 nan 8.230 nan 0.000 0.718 102 T N -2.095 112.593 114.554 0.223 0.000 2.881 102 T HA -0.163 4.187 4.350 -0.001 0.000 0.270 102 T C 1.185 175.995 174.700 0.183 0.000 1.068 102 T CA 1.882 64.115 62.100 0.223 0.000 1.131 102 T CB -0.009 69.057 68.868 0.331 0.000 0.871 102 T HN 0.741 nan 8.240 nan 0.000 0.479 103 E N 2.200 122.508 120.200 0.180 0.000 2.072 103 E HA 0.204 4.554 4.350 -0.001 0.000 0.191 103 E C 2.573 179.247 176.600 0.123 0.000 0.985 103 E CA 1.077 57.565 56.400 0.146 0.000 0.801 103 E CB -0.745 29.046 29.700 0.152 0.000 0.750 103 E HN 0.649 nan 8.360 nan 0.000 0.452 104 A N 1.526 124.421 122.820 0.126 0.000 1.877 104 A HA -0.249 4.070 4.320 -0.001 0.000 0.216 104 A C 1.948 179.594 177.584 0.104 0.000 1.186 104 A CA 1.817 53.919 52.037 0.109 0.000 0.620 104 A CB -0.418 18.653 19.000 0.118 0.000 0.822 104 A HN 0.097 nan 8.150 nan 0.000 0.443 105 K N -0.152 120.316 120.400 0.114 0.000 2.063 105 K HA -0.079 4.240 4.320 -0.001 0.000 0.208 105 K C 2.246 178.912 176.600 0.110 0.000 1.048 105 K CA 1.227 57.580 56.287 0.110 0.000 0.928 105 K CB -0.366 32.203 32.500 0.115 0.000 0.713 105 K HN 0.449 nan 8.250 nan 0.000 0.442 106 A N 1.467 124.356 122.820 0.115 0.000 1.933 106 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 106 A C 2.380 180.021 177.584 0.096 0.000 1.175 106 A CA 1.848 53.953 52.037 0.114 0.000 0.628 106 A CB -0.748 18.316 19.000 0.107 0.000 0.814 106 A HN 0.338 nan 8.150 nan 0.000 0.444 107 A N -0.493 122.372 122.820 0.076 0.000 1.902 107 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 107 A C 2.128 179.724 177.584 0.021 0.000 1.181 107 A CA 1.760 53.826 52.037 0.048 0.000 0.623 107 A CB -0.622 18.402 19.000 0.039 0.000 0.818 107 A HN 0.668 nan 8.150 nan 0.000 0.443 108 L N 0.278 121.514 121.223 0.022 0.000 2.017 108 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 108 L C 1.920 178.776 176.870 -0.024 0.000 1.073 108 L CA 2.793 57.627 54.840 -0.010 0.000 0.745 108 L CB -0.863 41.220 42.059 0.040 0.000 0.894 108 L HN 0.447 nan 8.230 nan 0.000 0.432 109 D N -1.556 118.877 120.400 0.056 0.000 2.123 109 D HA -0.182 4.458 4.640 -0.001 0.000 0.196 109 D C 1.958 178.371 176.300 0.188 0.000 0.992 109 D CA 1.702 55.781 54.000 0.131 0.000 0.833 109 D CB 0.025 40.977 40.800 0.252 0.000 0.954 109 D HN 0.401 nan 8.370 nan 0.000 0.455 110 T N -0.398 114.255 114.554 0.165 0.000 2.708 110 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 110 T C 1.943 176.703 174.700 0.100 0.000 1.037 110 T CA 1.670 63.870 62.100 0.166 0.000 1.146 110 T CB -0.560 68.368 68.868 0.100 0.000 0.865 110 T HN 0.246 nan 8.240 nan 0.000 0.435 111 A N 1.044 123.872 122.820 0.014 0.000 1.933 111 A HA 0.020 4.339 4.320 -0.001 0.000 0.218 111 A C 2.311 179.832 177.584 -0.106 0.000 1.175 111 A CA 1.185 53.191 52.037 -0.050 0.000 0.628 111 A CB -0.848 18.083 19.000 -0.116 0.000 0.814 111 A HN 0.472 nan 8.150 nan 0.000 0.444 112 L N -2.305 118.797 121.223 -0.202 0.000 2.046 112 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 112 L C 2.546 179.265 176.870 -0.251 0.000 1.077 112 L CA 1.326 55.928 54.840 -0.398 0.000 0.747 112 L CB -0.566 40.928 42.059 -0.940 0.000 0.896 112 L HN 0.432 nan 8.230 nan 0.000 0.432 113 Y N -0.133 120.156 120.300 -0.019 0.000 2.200 113 Y HA -0.259 4.291 4.550 -0.001 0.000 0.290 113 Y C 2.429 178.315 175.900 -0.023 0.000 1.137 113 Y CA 1.591 59.738 58.100 0.078 0.000 1.163 113 Y CB -0.386 38.138 38.460 0.105 0.000 0.988 113 Y HN 0.232 nan 8.280 nan 0.000 0.518 114 D N -0.267 120.197 120.400 0.107 0.000 2.117 114 D HA -0.162 4.477 4.640 -0.001 0.000 0.198 114 D C 2.136 178.436 176.300 -0.000 0.000 0.982 114 D CA 0.847 54.862 54.000 0.025 0.000 0.828 114 D CB -0.292 40.531 40.800 0.038 0.000 0.967 114 D HN 0.197 nan 8.370 nan 0.000 0.464 115 L N 0.876 122.084 121.223 -0.026 0.000 1.994 115 L HA -0.059 4.281 4.340 -0.001 0.000 0.208 115 L C 2.275 179.127 176.870 -0.030 0.000 1.071 115 L CA 1.761 56.571 54.840 -0.050 0.000 0.745 115 L CB -0.540 41.465 42.059 -0.091 0.000 0.892 115 L HN -0.046 nan 8.230 nan 0.000 0.431 116 R N -0.565 119.925 120.500 -0.017 0.000 2.120 116 R HA -0.072 4.267 4.340 -0.001 0.000 0.234 116 R C 2.192 178.499 176.300 0.012 0.000 1.123 116 R CA 1.111 57.215 56.100 0.007 0.000 0.975 116 R CB -0.633 29.691 30.300 0.039 0.000 0.866 116 R HN 0.540 nan 8.270 nan 0.000 0.446 117 A N 1.414 124.243 122.820 0.015 0.000 1.898 117 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 117 A C 2.104 179.660 177.584 -0.046 0.000 1.181 117 A CA 1.067 53.087 52.037 -0.028 0.000 0.620 117 A CB -0.291 18.667 19.000 -0.070 0.000 0.819 117 A HN 0.197 nan 8.150 nan 0.000 0.442 118 R N -0.623 119.856 120.500 -0.035 0.000 2.092 118 R HA 0.019 4.359 4.340 -0.001 0.000 0.231 118 R C 1.987 178.274 176.300 -0.022 0.000 1.119 118 R CA 1.357 57.440 56.100 -0.028 0.000 0.970 118 R CB -0.462 29.830 30.300 -0.013 0.000 0.864 118 R HN 0.562 nan 8.270 nan 0.000 0.440 119 I N 0.636 121.194 120.570 -0.019 0.000 2.163 119 I HA -0.267 3.903 4.170 -0.001 0.000 0.243 119 I C 2.434 178.542 176.117 -0.015 0.000 1.085 119 I CA 1.434 62.725 61.300 -0.016 0.000 1.347 119 I CB -0.331 37.660 38.000 -0.015 0.000 1.044 119 I HN 0.180 nan 8.210 nan 0.000 0.408 120 A N 0.190 122.999 122.820 -0.017 0.000 2.119 120 A HA 0.165 4.485 4.320 -0.001 0.000 0.217 120 A C 1.862 179.429 177.584 -0.029 0.000 1.153 120 A CA 0.941 52.966 52.037 -0.019 0.000 0.692 120 A CB -0.735 18.255 19.000 -0.017 0.000 0.799 120 A HN 0.624 nan 8.150 nan 0.000 0.458 121 G N -1.090 107.687 108.800 -0.037 0.000 2.160 121 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.244 121 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.244 121 G C 0.224 175.081 174.900 -0.071 0.000 1.022 121 G CA 0.743 45.817 45.100 -0.043 0.000 0.741 121 G HN 1.852 nan 8.290 nan 0.000 0.508 122 V N -3.702 116.149 119.914 -0.106 0.000 3.001 122 V HA 0.975 5.094 4.120 -0.001 0.000 0.314 122 V C -2.434 173.495 176.094 -0.275 0.000 1.099 122 V CA -2.896 59.291 62.300 -0.188 0.000 0.989 122 V CB 2.362 34.074 31.823 -0.185 0.000 1.040 122 V HN 0.033 nan 8.190 nan 0.000 0.434 123 P HA 0.289 nan 4.420 nan 0.000 0.272 123 P C 1.018 177.969 177.300 -0.583 0.000 1.230 123 P CA -0.122 62.643 63.100 -0.560 0.000 0.788 123 P CB 0.981 32.127 31.700 -0.923 0.000 0.949 124 V N 1.893 121.471 119.914 -0.559 0.000 2.392 124 V HA -0.222 3.897 4.120 -0.001 0.000 0.249 124 V C 2.010 178.016 176.094 -0.148 0.000 1.059 124 V CA 1.895 63.959 62.300 -0.393 0.000 1.051 124 V CB -1.374 30.115 31.823 -0.556 0.000 0.658 124 V HN 0.741 nan 8.190 nan 0.000 0.455 125 W N 0.495 121.919 121.300 0.207 0.000 2.392 125 W HA -0.074 4.585 4.660 -0.000 0.000 0.279 125 W C 2.175 178.724 176.519 0.050 0.000 1.225 125 W CA 0.794 58.218 57.345 0.132 0.000 1.233 125 W CB -1.056 28.497 29.460 0.155 0.000 1.122 125 W HN 0.295 nan 8.180 nan 0.000 0.561 126 A N 1.528 124.318 122.820 -0.049 0.000 2.121 126 A HA -0.004 4.316 4.320 -0.001 0.000 0.218 126 A C 2.076 179.690 177.584 0.050 0.000 1.154 126 A CA 0.995 53.035 52.037 0.005 0.000 0.679 126 A CB -0.760 18.028 19.000 -0.353 0.000 0.795 126 A HN 0.402 nan 8.150 nan 0.000 0.458 127 L N -1.164 120.073 121.223 0.023 0.000 2.607 127 L HA 0.221 4.560 4.340 -0.001 0.000 0.228 127 L C 0.825 177.732 176.870 0.062 0.000 1.123 127 L CA 0.123 55.012 54.840 0.082 0.000 0.890 127 L CB 0.073 42.239 42.059 0.179 0.000 1.103 127 L HN 0.312 nan 8.230 nan 0.000 0.468 128 L N -0.624 120.619 121.223 0.033 0.000 3.014 128 L HA 0.403 4.743 4.340 -0.001 0.000 0.263 128 L C 1.084 177.997 176.870 0.072 0.000 1.207 128 L CA 0.252 55.095 54.840 0.004 0.000 1.017 128 L CB 0.503 42.527 42.059 -0.058 0.000 1.360 128 L HN 0.297 nan 8.230 nan 0.000 0.560 129 G N -0.818 108.046 108.800 0.107 0.000 2.192 129 G HA2 0.013 3.973 3.960 -0.001 0.000 0.193 129 G HA3 0.013 3.973 3.960 -0.001 0.000 0.193 129 G C 0.583 175.564 174.900 0.134 0.000 0.999 129 G CA -0.232 44.927 45.100 0.099 0.000 0.659 129 G HN 0.791 nan 8.290 nan 0.000 0.503 130 G N -0.582 108.364 108.800 0.242 0.000 2.660 130 G HA2 0.163 4.122 3.960 -0.001 0.000 0.215 130 G HA3 0.163 4.122 3.960 -0.001 0.000 0.215 130 G C -0.277 174.692 174.900 0.114 0.000 1.345 130 G CA 0.581 45.879 45.100 0.330 0.000 0.877 130 G HN 1.346 nan 8.290 nan 0.000 0.549 131 R N -0.996 119.385 120.500 -0.198 0.000 2.514 131 R HA 0.595 4.934 4.340 -0.001 0.000 0.301 131 R C 1.437 177.564 176.300 -0.288 0.000 0.962 131 R CA -0.242 55.545 56.100 -0.523 0.000 0.882 131 R CB 0.946 30.493 30.300 -1.255 0.000 1.143 131 R HN 1.412 nan 8.270 nan 0.000 0.452 132 C N 2.452 121.615 119.300 -0.227 0.000 3.188 132 C HA 0.440 4.900 4.460 -0.001 0.000 0.315 132 C C 0.257 175.157 174.990 -0.151 0.000 1.285 132 C CA -0.597 58.333 59.018 -0.147 0.000 1.729 132 C CB -0.558 27.131 27.740 -0.084 0.000 2.257 132 C HN 0.851 nan 8.230 nan 0.000 0.645 133 R N 0.814 121.195 120.500 -0.197 0.000 2.680 133 R HA 0.530 4.870 4.340 -0.001 0.000 0.269 133 R C -1.026 175.141 176.300 -0.221 0.000 1.026 133 R CA 0.187 56.190 56.100 -0.162 0.000 0.889 133 R CB 0.796 31.041 30.300 -0.091 0.000 1.241 133 R HN 0.160 nan 8.270 nan 0.000 0.463 134 D N 0.863 121.159 120.400 -0.173 0.000 2.433 134 D HA 0.171 4.811 4.640 -0.001 0.000 0.211 134 D C -0.163 176.075 176.300 -0.104 0.000 1.114 134 D CA -0.163 53.735 54.000 -0.171 0.000 0.837 134 D CB 0.575 41.286 40.800 -0.149 0.000 0.984 134 D HN 0.439 nan 8.370 nan 0.000 0.505 135 R N -0.293 120.167 120.500 -0.067 0.000 2.771 135 R HA 0.717 5.056 4.340 -0.001 0.000 0.274 135 R C -1.022 175.332 176.300 0.091 0.000 0.987 135 R CA -0.728 55.374 56.100 0.003 0.000 0.908 135 R CB 2.430 32.689 30.300 -0.070 0.000 1.213 135 R HN -0.065 nan 8.270 nan 0.000 0.468 136 I N 2.320 122.986 120.570 0.162 0.000 2.512 136 I HA 0.329 4.499 4.170 -0.001 0.000 0.287 136 I C -2.424 173.721 176.117 0.047 0.000 1.069 136 I CA -2.529 58.840 61.300 0.114 0.000 1.056 136 I CB 2.368 40.413 38.000 0.075 0.000 1.229 136 I HN 0.248 nan 8.210 nan 0.000 0.429 137 P HA 0.056 nan 4.420 nan 0.000 0.265 137 P C -0.811 176.366 177.300 -0.206 0.000 1.193 137 P CA -0.170 62.685 63.100 -0.408 0.000 0.765 137 P CB 0.585 32.107 31.700 -0.297 0.000 0.823 138 L N 2.971 124.077 121.223 -0.195 0.000 2.309 138 L HA 0.570 4.910 4.340 -0.001 0.000 0.282 138 L C -0.034 176.807 176.870 -0.049 0.000 1.036 138 L CA -0.067 54.739 54.840 -0.057 0.000 0.806 138 L CB 1.495 43.590 42.059 0.059 0.000 1.220 138 L HN 0.248 nan 8.230 nan 0.000 0.429 139 S N 4.399 120.093 115.700 -0.010 0.000 2.472 139 S HA 0.560 5.030 4.470 -0.001 0.000 0.303 139 S C -0.816 173.755 174.600 -0.048 0.000 1.099 139 S CA -0.616 57.573 58.200 -0.019 0.000 1.077 139 S CB 0.876 64.102 63.200 0.043 0.000 1.031 139 S HN 0.877 nan 8.310 nan 0.000 0.487 140 C N 4.041 123.218 119.300 -0.204 0.000 2.355 140 C HA 0.766 5.226 4.460 -0.001 0.000 0.332 140 C C 0.466 175.058 174.990 -0.664 0.000 1.255 140 C CA -0.342 58.343 59.018 -0.556 0.000 1.792 140 C CB 0.608 28.038 27.740 -0.516 0.000 2.300 140 C HN 0.942 nan 8.230 nan 0.000 0.515 141 S N 4.770 119.802 115.700 -1.113 0.000 2.565 141 S HA 0.538 5.007 4.470 -0.001 0.000 0.274 141 S C -0.300 174.045 174.600 -0.426 0.000 1.309 141 S CA -0.322 57.516 58.200 -0.604 0.000 1.043 141 S CB 0.540 63.474 63.200 -0.444 0.000 0.939 141 S HN 0.603 nan 8.310 nan 0.000 0.504 142 I N 2.927 123.349 120.570 -0.247 0.000 2.428 142 I HA 0.353 4.522 4.170 -0.001 0.000 0.279 142 I C 0.556 176.656 176.117 -0.029 0.000 1.040 142 I CA -0.214 60.999 61.300 -0.145 0.000 1.171 142 I CB 0.346 38.260 38.000 -0.143 0.000 1.312 142 I HN 0.791 nan 8.210 nan 0.000 0.470 143 A N 3.951 126.773 122.820 0.004 0.000 2.600 143 A HA 0.155 4.475 4.320 -0.001 0.000 0.252 143 A C 0.456 178.089 177.584 0.081 0.000 1.200 143 A CA -0.228 51.822 52.037 0.021 0.000 0.981 143 A CB 0.205 19.147 19.000 -0.097 0.000 1.207 143 A HN 0.515 nan 8.150 nan 0.000 0.577 144 D N 1.443 121.960 120.400 0.195 0.000 2.351 144 D HA 0.179 4.819 4.640 -0.001 0.000 0.251 144 D C -1.376 175.204 176.300 0.465 0.000 1.137 144 D CA -1.340 52.807 54.000 0.246 0.000 0.879 144 D CB 1.600 42.518 40.800 0.197 0.000 1.181 144 D HN 0.065 nan 8.370 nan 0.000 0.448 145 P HA -0.101 nan 4.420 nan 0.000 0.220 145 P C 0.268 177.744 177.300 0.294 0.000 1.148 145 P CA 0.667 63.996 63.100 0.382 0.000 0.803 145 P CB 0.335 32.183 31.700 0.245 0.000 0.782 146 D N -0.464 120.097 120.400 0.269 0.000 2.468 146 D HA 0.019 4.658 4.640 -0.001 0.000 0.218 146 D C 0.595 177.080 176.300 0.308 0.000 1.155 146 D CA -0.799 53.344 54.000 0.238 0.000 0.924 146 D CB -0.375 40.509 40.800 0.140 0.000 1.029 146 D HN -0.166 nan 8.370 nan 0.000 0.515 147 F N 3.034 123.116 119.950 0.220 0.000 2.269 147 F HA -0.131 4.396 4.527 -0.001 0.000 0.301 147 F C 1.459 177.287 175.800 0.046 0.000 1.082 147 F CA 1.056 59.133 58.000 0.128 0.000 1.360 147 F CB 0.175 39.218 39.000 0.071 0.000 1.041 147 F HN 0.273 nan 8.300 nan 0.000 0.512 148 D N 0.406 120.801 120.400 -0.008 0.000 2.149 148 D HA -0.169 4.471 4.640 -0.001 0.000 0.198 148 D C 2.167 178.389 176.300 -0.129 0.000 0.990 148 D CA 1.018 54.938 54.000 -0.132 0.000 0.839 148 D CB -0.150 40.634 40.800 -0.026 0.000 0.948 148 D HN 0.277 nan 8.370 nan 0.000 0.460 149 K N 0.667 121.042 120.400 -0.041 0.000 2.057 149 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 149 K C 1.499 178.051 176.600 -0.079 0.000 1.049 149 K CA 0.818 57.089 56.287 -0.026 0.000 0.931 149 K CB -0.259 32.263 32.500 0.036 0.000 0.714 149 K HN 0.162 nan 8.250 nan 0.000 0.440 150 D N 0.991 121.326 120.400 -0.109 0.000 2.224 150 D HA -0.030 4.610 4.640 -0.001 0.000 0.205 150 D C 2.047 178.136 176.300 -0.352 0.000 0.965 150 D CA 0.464 54.359 54.000 -0.175 0.000 0.852 150 D CB -0.046 40.722 40.800 -0.053 0.000 0.947 150 D HN 0.085 nan 8.370 nan 0.000 0.494 151 L N 0.573 121.492 121.223 -0.506 0.000 2.083 151 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 151 L C 2.494 179.225 176.870 -0.232 0.000 1.083 151 L CA 1.008 55.579 54.840 -0.449 0.000 0.752 151 L CB -0.350 41.411 42.059 -0.497 0.000 0.899 151 L HN -0.022 nan 8.230 nan 0.000 0.433 152 A N 0.101 122.820 122.820 -0.169 0.000 1.883 152 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 152 A C 2.202 179.729 177.584 -0.095 0.000 1.186 152 A CA 1.890 53.873 52.037 -0.089 0.000 0.624 152 A CB -0.778 18.189 19.000 -0.054 0.000 0.822 152 A HN 0.333 nan 8.150 nan 0.000 0.444 153 L N -0.851 120.293 121.223 -0.132 0.000 2.042 153 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 153 L C 2.330 179.055 176.870 -0.241 0.000 1.076 153 L CA 2.011 56.763 54.840 -0.148 0.000 0.749 153 L CB -0.497 41.468 42.059 -0.157 0.000 0.893 153 L HN 0.320 nan 8.230 nan 0.000 0.432 154 M N -1.095 118.277 119.600 -0.380 0.000 2.159 154 M HA -0.178 4.301 4.480 -0.001 0.000 0.263 154 M C 2.182 178.262 176.300 -0.367 0.000 1.063 154 M CA 1.383 56.294 55.300 -0.649 0.000 1.110 154 M CB -1.172 30.652 32.600 -1.292 0.000 1.374 154 M HN 0.387 nan 8.290 nan 0.000 0.411 155 Q N 0.075 119.806 119.800 -0.114 0.000 2.084 155 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 155 Q C 2.155 178.191 176.000 0.060 0.000 0.978 155 Q CA 1.426 57.271 55.803 0.070 0.000 0.844 155 Q CB -0.463 28.320 28.738 0.075 0.000 0.898 155 Q HN 0.567 nan 8.270 nan 0.000 0.426 156 R N 0.114 120.628 120.500 0.022 0.000 2.092 156 R HA -0.014 4.325 4.340 -0.001 0.000 0.231 156 R C 2.512 178.864 176.300 0.086 0.000 1.119 156 R CA 0.755 56.899 56.100 0.072 0.000 0.970 156 R CB -0.276 30.084 30.300 0.100 0.000 0.864 156 R HN 0.199 nan 8.270 nan 0.000 0.440 157 L N 0.512 121.732 121.223 -0.004 0.000 2.056 157 L HA -0.204 4.136 4.340 -0.001 0.000 0.207 157 L C 2.829 179.798 176.870 0.166 0.000 1.078 157 L CA 1.407 56.260 54.840 0.021 0.000 0.749 157 L CB -0.498 41.516 42.059 -0.075 0.000 0.901 157 L HN 0.281 nan 8.230 nan 0.000 0.433 158 Q N 0.232 120.173 119.800 0.236 0.000 2.050 158 Q HA -0.246 4.094 4.340 -0.001 0.000 0.202 158 Q C 1.660 177.759 176.000 0.164 0.000 0.980 158 Q CA 2.028 58.012 55.803 0.302 0.000 0.840 158 Q CB 0.075 29.054 28.738 0.402 0.000 0.898 158 Q HN 0.414 nan 8.270 nan 0.000 0.424 159 D N 0.568 121.051 120.400 0.138 0.000 2.178 159 D HA -0.118 4.522 4.640 -0.001 0.000 0.202 159 D C 0.880 177.239 176.300 0.098 0.000 0.974 159 D CA 0.967 55.030 54.000 0.105 0.000 0.841 159 D CB -0.175 40.681 40.800 0.094 0.000 0.953 159 D HN 0.339 nan 8.370 nan 0.000 0.478 160 D N 0.587 121.060 120.400 0.121 0.000 2.349 160 D HA -0.050 4.589 4.640 -0.001 0.000 0.224 160 D C 0.102 176.462 176.300 0.100 0.000 1.029 160 D CA 0.260 54.339 54.000 0.132 0.000 0.879 160 D CB 0.096 41.029 40.800 0.221 0.000 0.906 160 D HN 0.082 nan 8.370 nan 0.000 0.528 161 D N -0.667 119.773 120.400 0.066 0.000 3.076 161 D HA -0.159 4.481 4.640 -0.001 0.000 0.218 161 D C -0.186 176.091 176.300 -0.038 0.000 1.156 161 D CA 0.274 54.283 54.000 0.015 0.000 0.921 161 D CB -1.398 39.423 40.800 0.035 0.000 1.113 161 D HN 0.144 nan 8.370 nan 0.000 0.418 162 V N 0.978 120.876 119.914 -0.026 0.000 2.655 162 V HA 0.068 4.187 4.120 -0.001 0.000 0.300 162 V C 1.587 177.441 176.094 -0.400 0.000 1.044 162 V CA 0.680 62.919 62.300 -0.102 0.000 1.095 162 V CB 1.444 33.269 31.823 0.004 0.000 0.952 162 V HN 0.071 nan 8.190 nan 0.000 0.485 163 R N 4.144 124.344 120.500 -0.499 0.000 2.590 163 R HA 0.451 4.791 4.340 -0.001 0.000 0.410 163 R C -0.697 175.297 176.300 -0.511 0.000 1.010 163 R CA 0.050 55.614 56.100 -0.893 0.000 1.155 163 R CB 0.624 30.599 30.300 -0.543 0.000 1.455 163 R HN 0.594 nan 8.270 nan 0.000 0.567 164 I N 1.684 122.122 120.570 -0.220 0.000 2.582 164 I HA 0.493 4.663 4.170 -0.001 0.000 0.292 164 I C -0.105 176.034 176.117 0.036 0.000 1.066 164 I CA -1.211 60.056 61.300 -0.056 0.000 1.053 164 I CB 2.333 40.278 38.000 -0.092 0.000 1.241 164 I HN -0.104 nan 8.210 nan 0.000 0.421 165 I N 1.697 122.280 120.570 0.023 0.000 2.934 165 I HA 0.640 4.810 4.170 -0.001 0.000 0.306 165 I C -1.027 174.985 176.117 -0.174 0.000 1.110 165 I CA -0.907 60.334 61.300 -0.099 0.000 1.019 165 I CB 2.310 40.219 38.000 -0.151 0.000 1.227 165 I HN 0.465 nan 8.210 nan 0.000 0.434 166 K N 3.505 123.785 120.400 -0.201 0.000 2.450 166 K HA 0.503 4.823 4.320 -0.001 0.000 0.257 166 K C -1.611 174.881 176.600 -0.179 0.000 0.953 166 K CA -0.768 55.399 56.287 -0.200 0.000 0.844 166 K CB 1.770 34.188 32.500 -0.137 0.000 1.103 166 K HN 0.687 nan 8.250 nan 0.000 0.429 167 L N 4.931 126.045 121.223 -0.181 0.000 2.313 167 L HA 0.208 4.548 4.340 -0.001 0.000 0.282 167 L C -0.515 176.289 176.870 -0.110 0.000 1.092 167 L CA 0.295 55.041 54.840 -0.157 0.000 0.831 167 L CB 0.429 42.363 42.059 -0.209 0.000 1.159 167 L HN 0.462 nan 8.230 nan 0.000 0.442 168 K N 4.081 124.469 120.400 -0.020 0.000 2.312 168 K HA 0.347 4.667 4.320 -0.001 0.000 0.287 168 K C -0.042 176.669 176.600 0.185 0.000 1.062 168 K CA -0.165 56.166 56.287 0.073 0.000 0.934 168 K CB 0.554 33.107 32.500 0.089 0.000 1.027 168 K HN 0.766 nan 8.250 nan 0.000 0.478 169 T N -2.624 111.946 114.554 0.027 0.000 2.907 169 T HA 0.581 4.931 4.350 -0.001 0.000 0.290 169 T C 0.891 175.673 174.700 0.137 0.000 1.066 169 T CA -0.171 61.871 62.100 -0.096 0.000 1.012 169 T CB 1.942 70.431 68.868 -0.631 0.000 1.184 169 T HN 0.706 nan 8.240 nan 0.000 0.522 170 G N 0.425 109.368 108.800 0.237 0.000 2.179 170 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.260 170 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.260 170 G C 0.308 175.394 174.900 0.309 0.000 0.977 170 G CA 0.634 45.980 45.100 0.410 0.000 0.641 170 G HN 1.317 nan 8.290 nan 0.000 0.533 171 F N -0.928 119.140 119.950 0.197 0.000 2.717 171 F HA 0.596 5.123 4.527 -0.001 0.000 0.295 171 F C 1.765 177.615 175.800 0.082 0.000 1.117 171 F CA 0.589 58.680 58.000 0.151 0.000 1.361 171 F CB -0.017 39.078 39.000 0.157 0.000 1.112 171 F HN 0.164 nan 8.300 nan 0.000 0.594 172 K N 0.214 120.292 120.400 -0.536 0.000 2.629 172 K HA 0.203 4.522 4.320 -0.001 0.000 0.239 172 K C -0.610 175.879 176.600 -0.185 0.000 1.102 172 K CA 0.661 56.683 56.287 -0.442 0.000 1.019 172 K CB 0.048 32.013 32.500 -0.892 0.000 1.481 172 K HN 0.357 nan 8.250 nan 0.000 0.455 173 D N -2.431 117.897 120.400 -0.121 0.000 2.615 173 D HA 0.064 4.703 4.640 -0.001 0.000 0.267 173 D C 0.425 176.789 176.300 0.106 0.000 1.236 173 D CA -0.558 53.452 54.000 0.017 0.000 0.839 173 D CB 0.616 41.422 40.800 0.009 0.000 1.380 173 D HN 0.109 nan 8.370 nan 0.000 0.433 174 H N 0.232 119.325 119.070 0.038 0.000 2.387 174 H HA 0.084 4.639 4.556 -0.001 0.000 0.299 174 H C 1.918 177.268 175.328 0.037 0.000 1.090 174 H CA 2.791 58.872 56.048 0.056 0.000 1.332 174 H CB -0.273 29.523 29.762 0.056 0.000 1.386 174 H HN 0.492 nan 8.280 nan 0.000 0.516 175 A N -0.090 122.722 122.820 -0.013 0.000 1.933 175 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 175 A C 2.291 179.821 177.584 -0.091 0.000 1.175 175 A CA 1.426 53.412 52.037 -0.085 0.000 0.628 175 A CB -1.214 17.781 19.000 -0.008 0.000 0.814 175 A HN 0.536 nan 8.150 nan 0.000 0.444 176 F N 1.415 121.241 119.950 -0.207 0.000 2.126 176 F HA -0.188 4.338 4.527 -0.001 0.000 0.299 176 F C 1.731 177.323 175.800 -0.348 0.000 1.096 176 F CA 1.995 59.832 58.000 -0.271 0.000 1.255 176 F CB -0.187 38.641 39.000 -0.286 0.000 0.997 176 F HN 0.264 nan 8.300 nan 0.000 0.479 177 D N -0.192 120.039 120.400 -0.281 0.000 2.097 177 D HA -0.165 4.474 4.640 -0.001 0.000 0.197 177 D C 2.409 178.435 176.300 -0.457 0.000 0.984 177 D CA 1.318 55.087 54.000 -0.385 0.000 0.826 177 D CB -0.343 40.355 40.800 -0.170 0.000 0.973 177 D HN 0.234 nan 8.370 nan 0.000 0.460 178 M N 0.199 119.552 119.600 -0.412 0.000 2.175 178 M HA -0.062 4.418 4.480 -0.001 0.000 0.264 178 M C 2.109 178.185 176.300 -0.374 0.000 1.063 178 M CA 0.765 55.866 55.300 -0.332 0.000 1.119 178 M CB -0.783 31.669 32.600 -0.246 0.000 1.377 178 M HN 0.101 nan 8.290 nan 0.000 0.415 179 M N 0.336 119.710 119.600 -0.377 0.000 2.117 179 M HA -0.190 4.290 4.480 -0.001 0.000 0.262 179 M C 2.007 177.993 176.300 -0.523 0.000 1.065 179 M CA 1.791 56.877 55.300 -0.356 0.000 1.114 179 M CB -0.501 31.921 32.600 -0.296 0.000 1.361 179 M HN 0.198 nan 8.290 nan 0.000 0.408 180 R N -0.092 119.915 120.500 -0.822 0.000 2.075 180 R HA -0.040 4.299 4.340 -0.001 0.000 0.232 180 R C 2.351 178.281 176.300 -0.616 0.000 1.126 180 R CA 1.227 56.717 56.100 -1.016 0.000 0.963 180 R CB -0.442 29.015 30.300 -1.406 0.000 0.858 180 R HN 0.395 nan 8.270 nan 0.000 0.435 181 L N 0.633 121.440 121.223 -0.693 0.000 2.046 181 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 181 L C 2.601 178.950 176.870 -0.868 0.000 1.077 181 L CA 1.454 55.794 54.840 -0.833 0.000 0.747 181 L CB -0.372 40.943 42.059 -1.240 0.000 0.896 181 L HN 0.283 nan 8.230 nan 0.000 0.432 182 E N 0.246 119.968 120.200 -0.797 0.000 2.051 182 E HA -0.301 4.049 4.350 -0.001 0.000 0.192 182 E C 2.289 178.813 176.600 -0.128 0.000 0.991 182 E CA 1.328 57.541 56.400 -0.311 0.000 0.799 182 E CB 0.046 29.699 29.700 -0.079 0.000 0.748 182 E HN 0.156 nan 8.360 nan 0.000 0.449 183 R N 0.389 120.822 120.500 -0.112 0.000 2.092 183 R HA -0.058 4.281 4.340 -0.001 0.000 0.231 183 R C 2.259 178.599 176.300 0.067 0.000 1.119 183 R CA 1.294 57.408 56.100 0.024 0.000 0.970 183 R CB -0.428 29.964 30.300 0.153 0.000 0.864 183 R HN 0.275 nan 8.270 nan 0.000 0.440 184 L N -0.119 121.126 121.223 0.037 0.000 2.093 184 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 184 L C 2.469 179.379 176.870 0.066 0.000 1.085 184 L CA 0.953 55.845 54.840 0.086 0.000 0.755 184 L CB -0.383 41.648 42.059 -0.047 0.000 0.904 184 L HN 0.100 nan 8.230 nan 0.000 0.435 185 R N 0.230 120.726 120.500 -0.007 0.000 2.092 185 R HA -0.063 4.276 4.340 -0.001 0.000 0.231 185 R C 2.274 178.600 176.300 0.043 0.000 1.119 185 R CA 1.417 57.542 56.100 0.042 0.000 0.970 185 R CB -0.796 29.557 30.300 0.088 0.000 0.864 185 R HN 0.358 nan 8.270 nan 0.000 0.440 186 A N 1.170 124.002 122.820 0.020 0.000 1.873 186 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 186 A C 1.484 179.023 177.584 -0.077 0.000 1.186 186 A CA 1.704 53.734 52.037 -0.010 0.000 0.616 186 A CB -0.207 18.788 19.000 -0.008 0.000 0.823 186 A HN 0.142 nan 8.150 nan 0.000 0.442 187 D N -1.933 118.391 120.400 -0.126 0.000 2.327 187 D HA 0.145 4.785 4.640 -0.001 0.000 0.205 187 D C -0.393 175.467 176.300 -0.734 0.000 0.989 187 D CA 0.664 54.415 54.000 -0.415 0.000 0.873 187 D CB 0.087 40.605 40.800 -0.470 0.000 0.955 187 D HN 0.408 nan 8.370 nan 0.000 0.515 188 F N 0.545 120.462 119.950 -0.056 0.000 2.564 188 F HA 0.265 4.792 4.527 -0.001 0.000 0.329 188 F C -1.657 174.195 175.800 0.087 0.000 1.458 188 F CA -1.548 56.441 58.000 -0.018 0.000 1.117 188 F CB 1.591 40.426 39.000 -0.274 0.000 1.383 188 F HN -0.169 nan 8.300 nan 0.000 0.571 189 P HA -0.137 nan 4.420 nan 0.000 0.223 189 P C 1.367 178.760 177.300 0.155 0.000 1.151 189 P CA 1.036 64.212 63.100 0.127 0.000 0.787 189 P CB 0.333 32.067 31.700 0.058 0.000 0.788 190 A N -1.333 121.612 122.820 0.208 0.000 2.206 190 A HA 0.058 4.377 4.320 -0.001 0.000 0.211 190 A C 0.749 178.386 177.584 0.089 0.000 1.158 190 A CA 0.164 52.275 52.037 0.123 0.000 0.761 190 A CB -1.012 18.038 19.000 0.083 0.000 0.801 190 A HN 0.045 nan 8.150 nan 0.000 0.473 191 F N 0.478 120.448 119.950 0.032 0.000 2.384 191 F HA 0.343 4.869 4.527 -0.001 0.000 0.338 191 F C 0.450 176.223 175.800 -0.044 0.000 1.103 191 F CA -1.166 56.825 58.000 -0.015 0.000 1.157 191 F CB 0.805 39.788 39.000 -0.030 0.000 1.167 191 F HN 0.050 nan 8.300 nan 0.000 0.529 192 D N 4.037 124.467 120.400 0.050 0.000 2.295 192 D HA 0.284 4.924 4.640 -0.001 0.000 0.248 192 D C -0.633 175.645 176.300 -0.036 0.000 1.154 192 D CA 0.015 54.002 54.000 -0.021 0.000 0.857 192 D CB 0.384 41.137 40.800 -0.077 0.000 1.117 192 D HN 0.341 nan 8.370 nan 0.000 0.468 193 I N 3.895 124.418 120.570 -0.078 0.000 2.404 193 I HA 0.381 4.550 4.170 -0.001 0.000 0.293 193 I C 0.352 176.312 176.117 -0.263 0.000 0.992 193 I CA -0.898 60.320 61.300 -0.136 0.000 1.149 193 I CB 1.508 39.447 38.000 -0.101 0.000 1.315 193 I HN 0.145 nan 8.210 nan 0.000 0.446 194 R N 3.902 124.177 120.500 -0.376 0.000 2.856 194 R HA 0.806 5.146 4.340 -0.001 0.000 0.258 194 R C -1.217 174.874 176.300 -0.347 0.000 1.066 194 R CA -0.797 54.958 56.100 -0.576 0.000 1.045 194 R CB 1.828 31.455 30.300 -1.122 0.000 1.178 194 R HN 0.300 nan 8.270 nan 0.000 0.499 195 V N 0.537 120.294 119.914 -0.262 0.000 2.709 195 V HA 0.383 4.503 4.120 -0.001 0.000 0.308 195 V C -1.350 174.713 176.094 -0.051 0.000 1.062 195 V CA -0.659 61.543 62.300 -0.163 0.000 0.901 195 V CB 2.117 33.857 31.823 -0.139 0.000 1.003 195 V HN 0.677 nan 8.190 nan 0.000 0.425 196 D N 1.804 122.155 120.400 -0.082 0.000 2.620 196 D HA 0.363 5.003 4.640 -0.001 0.000 0.252 196 D C -0.274 176.021 176.300 -0.009 0.000 1.207 196 D CA -0.308 53.711 54.000 0.031 0.000 0.884 196 D CB 1.508 42.359 40.800 0.086 0.000 1.262 196 D HN 0.460 nan 8.370 nan 0.000 0.552 197 Y N 2.460 122.832 120.300 0.121 0.000 2.523 197 Y HA 0.086 4.636 4.550 -0.001 0.000 0.279 197 Y C 0.751 176.747 175.900 0.160 0.000 1.139 197 Y CA 0.025 58.209 58.100 0.139 0.000 1.296 197 Y CB -0.030 38.489 38.460 0.098 0.000 1.045 197 Y HN 0.449 nan 8.280 nan 0.000 0.538 198 N N 1.526 120.385 118.700 0.263 0.000 2.714 198 N HA -0.310 4.429 4.740 -0.001 0.000 0.252 198 N C -0.371 175.222 175.510 0.140 0.000 1.014 198 N CA 1.088 54.273 53.050 0.225 0.000 0.735 198 N CB -1.278 37.460 38.487 0.418 0.000 0.924 198 N HN 0.434 nan 8.380 nan 0.000 0.540 199 Q N -4.311 115.518 119.800 0.050 0.000 2.452 199 Q HA -0.242 4.097 4.340 -0.001 0.000 0.248 199 Q C 1.167 177.228 176.000 0.102 0.000 0.874 199 Q CA 0.963 56.761 55.803 -0.010 0.000 1.208 199 Q CB -1.800 26.829 28.738 -0.181 0.000 1.569 199 Q HN 0.719 nan 8.270 nan 0.000 0.579 200 G N -0.146 108.775 108.800 0.201 0.000 2.985 200 G HA2 0.278 4.237 3.960 -0.001 0.000 0.209 200 G HA3 0.278 4.237 3.960 -0.001 0.000 0.209 200 G C 0.388 175.377 174.900 0.148 0.000 1.165 200 G CA -0.197 45.043 45.100 0.234 0.000 0.776 200 G HN 0.151 nan 8.290 nan 0.000 0.541 201 L N 1.514 122.747 121.223 0.016 0.000 2.264 201 L HA 0.300 4.640 4.340 -0.001 0.000 0.289 201 L C 0.438 177.293 176.870 -0.025 0.000 1.044 201 L CA -1.064 53.735 54.840 -0.067 0.000 0.807 201 L CB 1.068 42.953 42.059 -0.290 0.000 1.192 201 L HN 0.155 nan 8.230 nan 0.000 0.425 202 H N 4.027 123.055 119.070 -0.071 0.000 2.972 202 H HA -0.050 4.505 4.556 -0.001 0.000 0.343 202 H C 1.124 176.367 175.328 -0.141 0.000 1.054 202 H CA 0.340 56.319 56.048 -0.115 0.000 1.412 202 H CB 0.913 30.571 29.762 -0.175 0.000 1.385 202 H HN 0.717 nan 8.280 nan 0.000 0.600 203 H N 2.967 121.821 119.070 -0.360 0.000 2.457 203 H HA -0.143 4.413 4.556 -0.001 0.000 0.297 203 H C 0.698 176.047 175.328 0.035 0.000 1.092 203 H CA 1.061 57.011 56.048 -0.163 0.000 1.309 203 H CB 0.012 29.644 29.762 -0.217 0.000 1.382 203 H HN 0.540 nan 8.280 nan 0.000 0.535 204 D N 1.243 121.685 120.400 0.069 0.000 2.182 204 D HA -0.108 4.532 4.640 -0.001 0.000 0.201 204 D C 2.136 178.440 176.300 0.007 0.000 0.986 204 D CA 1.983 56.018 54.000 0.059 0.000 0.847 204 D CB 0.039 40.828 40.800 -0.019 0.000 0.942 204 D HN 0.568 nan 8.370 nan 0.000 0.467 205 V N -3.834 116.072 119.914 -0.012 0.000 3.432 205 V HA 0.520 4.639 4.120 -0.001 0.000 0.298 205 V C 1.826 177.860 176.094 -0.101 0.000 1.464 205 V CA 0.396 62.657 62.300 -0.065 0.000 1.046 205 V CB 0.276 32.047 31.823 -0.086 0.000 0.887 205 V HN 0.019 nan 8.190 nan 0.000 0.441 206 A N 1.566 124.331 122.820 -0.092 0.000 1.865 206 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 206 A C 2.046 179.546 177.584 -0.140 0.000 1.191 206 A CA 2.360 54.305 52.037 -0.154 0.000 0.623 206 A CB -0.583 18.337 19.000 -0.133 0.000 0.826 206 A HN 0.609 nan 8.150 nan 0.000 0.444 207 L N -0.250 120.922 121.223 -0.084 0.000 2.046 207 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 207 L C 2.664 179.498 176.870 -0.060 0.000 1.077 207 L CA 2.319 57.122 54.840 -0.061 0.000 0.747 207 L CB -0.743 41.294 42.059 -0.036 0.000 0.896 207 L HN 0.350 nan 8.230 nan 0.000 0.432 208 A N -0.444 122.333 122.820 -0.071 0.000 1.902 208 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 208 A C 2.346 179.872 177.584 -0.095 0.000 1.181 208 A CA 1.572 53.567 52.037 -0.071 0.000 0.623 208 A CB -0.517 18.436 19.000 -0.079 0.000 0.818 208 A HN 0.469 nan 8.150 nan 0.000 0.443 209 R N -0.486 119.909 120.500 -0.174 0.000 2.075 209 R HA -0.070 4.270 4.340 -0.001 0.000 0.232 209 R C 2.129 178.444 176.300 0.024 0.000 1.126 209 R CA 1.422 57.387 56.100 -0.225 0.000 0.963 209 R CB -1.184 28.937 30.300 -0.299 0.000 0.858 209 R HN 0.424 nan 8.270 nan 0.000 0.435 210 V N 1.467 121.367 119.914 -0.024 0.000 2.287 210 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 210 V C 2.562 178.712 176.094 0.093 0.000 1.053 210 V CA 1.751 64.092 62.300 0.068 0.000 1.027 210 V CB -0.500 31.323 31.823 -0.000 0.000 0.646 210 V HN 0.309 nan 8.190 nan 0.000 0.447 211 R N -0.281 120.246 120.500 0.044 0.000 2.091 211 R HA -0.203 4.136 4.340 -0.001 0.000 0.238 211 R C 2.101 178.442 176.300 0.068 0.000 1.136 211 R CA 1.993 58.119 56.100 0.042 0.000 0.959 211 R CB -0.477 29.832 30.300 0.015 0.000 0.856 211 R HN 0.513 nan 8.270 nan 0.000 0.437 212 D N -0.244 120.220 120.400 0.106 0.000 2.104 212 D HA -0.148 4.491 4.640 -0.001 0.000 0.194 212 D C 1.907 178.331 176.300 0.207 0.000 0.994 212 D CA 1.598 55.698 54.000 0.168 0.000 0.830 212 D CB -0.064 40.932 40.800 0.328 0.000 0.959 212 D HN 0.173 nan 8.370 nan 0.000 0.452 213 V N -1.313 118.770 119.914 0.281 0.000 2.626 213 V HA -0.002 4.117 4.120 -0.001 0.000 0.252 213 V C 2.115 178.348 176.094 0.231 0.000 1.067 213 V CA 1.473 63.956 62.300 0.304 0.000 1.081 213 V CB -0.965 31.029 31.823 0.285 0.000 0.686 213 V HN 0.127 nan 8.190 nan 0.000 0.468 214 A N 1.882 124.790 122.820 0.147 0.000 2.070 214 A HA -0.162 4.158 4.320 -0.001 0.000 0.220 214 A C 2.470 180.073 177.584 0.031 0.000 1.159 214 A CA 2.401 54.491 52.037 0.088 0.000 0.656 214 A CB -1.293 17.744 19.000 0.061 0.000 0.800 214 A HN 0.848 nan 8.150 nan 0.000 0.453 215 T N -3.451 111.083 114.554 -0.034 0.000 2.929 215 T HA -0.093 4.257 4.350 -0.001 0.000 0.271 215 T C 1.215 175.720 174.700 -0.326 0.000 1.085 215 T CA 1.196 63.175 62.100 -0.201 0.000 1.125 215 T CB -0.649 68.025 68.868 -0.324 0.000 0.874 215 T HN 0.350 nan 8.240 nan 0.000 0.494 216 F N 1.849 121.792 119.950 -0.012 0.000 2.773 216 F HA 0.392 4.919 4.527 -0.001 0.000 0.304 216 F C 0.965 176.748 175.800 -0.027 0.000 1.129 216 F CA -0.451 57.533 58.000 -0.026 0.000 1.378 216 F CB -0.362 38.611 39.000 -0.044 0.000 1.095 216 F HN 0.020 nan 8.300 nan 0.000 0.565 217 K N -0.021 120.432 120.400 0.088 0.000 3.148 217 K HA -0.179 4.140 4.320 -0.001 0.000 0.267 217 K C -2.534 174.087 176.600 0.036 0.000 0.996 217 K CA -0.054 56.261 56.287 0.047 0.000 0.737 217 K CB -1.809 30.706 32.500 0.024 0.000 1.308 217 K HN 0.218 nan 8.250 nan 0.000 0.470 218 P HA -0.029 nan 4.420 nan 0.000 0.269 218 P C 0.828 178.084 177.300 -0.073 0.000 1.215 218 P CA 0.135 63.207 63.100 -0.047 0.000 0.780 218 P CB 0.661 32.325 31.700 -0.060 0.000 0.898 219 T N 1.125 115.578 114.554 -0.168 0.000 2.788 219 T HA 0.002 4.352 4.350 -0.001 0.000 0.268 219 T C 0.677 175.349 174.700 -0.048 0.000 1.044 219 T CA 1.520 63.533 62.100 -0.145 0.000 1.139 219 T CB -0.578 68.146 68.868 -0.239 0.000 0.867 219 T HN 0.651 nan 8.240 nan 0.000 0.454 220 F N -1.331 118.573 119.950 -0.076 0.000 2.686 220 F HA 0.697 5.223 4.527 -0.001 0.000 0.311 220 F C -1.678 174.088 175.800 -0.055 0.000 1.128 220 F CA -1.860 56.097 58.000 -0.071 0.000 0.946 220 F CB 1.203 40.137 39.000 -0.110 0.000 1.336 220 F HN -0.272 nan 8.300 nan 0.000 0.457 221 I N 1.755 122.517 120.570 0.319 0.000 2.389 221 I HA 0.313 4.483 4.170 -0.001 0.000 0.288 221 I C -0.764 175.511 176.117 0.264 0.000 0.999 221 I CA -0.473 60.983 61.300 0.260 0.000 1.129 221 I CB 1.829 39.959 38.000 0.216 0.000 1.288 221 I HN 0.731 nan 8.210 nan 0.000 0.444 222 E N 5.728 126.090 120.200 0.270 0.000 2.175 222 E HA 0.177 4.527 4.350 -0.001 0.000 0.278 222 E C -0.348 176.340 176.600 0.147 0.000 0.969 222 E CA -0.743 55.744 56.400 0.145 0.000 0.796 222 E CB 1.035 30.817 29.700 0.137 0.000 1.104 222 E HN 0.466 nan 8.360 nan 0.000 0.395 223 Q N 3.839 123.674 119.800 0.059 0.000 2.417 223 Q HA -0.168 4.171 4.340 -0.001 0.000 0.368 223 Q C -1.950 174.094 176.000 0.074 0.000 1.359 223 Q CA 0.561 56.378 55.803 0.024 0.000 1.122 223 Q CB -0.221 28.501 28.738 -0.026 0.000 1.295 223 Q HN 0.496 nan 8.270 nan 0.000 0.337 224 P HA -0.117 nan 4.420 nan 0.000 0.217 224 P C 0.489 177.729 177.300 -0.100 0.000 1.150 224 P CA 1.679 64.745 63.100 -0.057 0.000 0.832 224 P CB 0.026 31.622 31.700 -0.174 0.000 0.787 225 V N -4.385 115.471 119.914 -0.098 0.000 3.166 225 V HA 0.498 4.617 4.120 -0.001 0.000 0.317 225 V C 0.214 176.221 176.094 -0.145 0.000 1.136 225 V CA -1.865 60.362 62.300 -0.121 0.000 1.035 225 V CB 1.025 32.764 31.823 -0.140 0.000 1.110 225 V HN -0.263 nan 8.190 nan 0.000 0.450 226 K N 0.717 121.010 120.400 -0.178 0.000 2.518 226 K HA 0.301 4.621 4.320 -0.001 0.000 0.276 226 K C 1.494 177.931 176.600 -0.272 0.000 0.974 226 K CA 0.584 56.747 56.287 -0.207 0.000 0.986 226 K CB 0.753 33.120 32.500 -0.221 0.000 0.901 226 K HN 0.913 nan 8.250 nan 0.000 0.497 227 A N 2.928 125.637 122.820 -0.185 0.000 1.948 227 A HA -0.229 4.090 4.320 -0.001 0.000 0.220 227 A C 1.805 179.311 177.584 -0.131 0.000 1.177 227 A CA 1.934 53.892 52.037 -0.131 0.000 0.636 227 A CB -0.859 18.111 19.000 -0.049 0.000 0.815 227 A HN 0.960 nan 8.150 nan 0.000 0.449 228 H N -1.215 117.797 119.070 -0.097 0.000 2.547 228 H HA 0.190 4.745 4.556 -0.001 0.000 0.272 228 H C 0.611 175.868 175.328 -0.117 0.000 0.989 228 H CA 0.413 56.398 56.048 -0.105 0.000 1.214 228 H CB -0.544 29.171 29.762 -0.078 0.000 1.389 228 H HN 0.405 nan 8.280 nan 0.000 0.577 229 L N 2.138 123.061 121.223 -0.500 0.000 2.727 229 L HA 0.209 4.549 4.340 -0.001 0.000 0.237 229 L C 1.526 178.271 176.870 -0.209 0.000 1.370 229 L CA -0.131 54.498 54.840 -0.353 0.000 1.248 229 L CB 0.076 41.881 42.059 -0.423 0.000 1.556 229 L HN 0.114 nan 8.230 nan 0.000 0.420 230 R N 0.445 120.840 120.500 -0.175 0.000 2.119 230 R HA -0.035 4.305 4.340 -0.001 0.000 0.222 230 R C 2.302 178.547 176.300 -0.093 0.000 1.088 230 R CA 0.996 56.996 56.100 -0.167 0.000 0.984 230 R CB -0.077 30.044 30.300 -0.298 0.000 0.884 230 R HN 0.629 nan 8.270 nan 0.000 0.447 231 G N 1.368 110.127 108.800 -0.068 0.000 2.440 231 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 231 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 231 G C 1.286 176.154 174.900 -0.053 0.000 1.154 231 G CA 0.419 45.495 45.100 -0.041 0.000 0.767 231 G HN 0.168 nan 8.290 nan 0.000 0.552 232 L N 0.277 121.452 121.223 -0.080 0.000 2.093 232 L HA 0.120 4.459 4.340 -0.001 0.000 0.208 232 L C 2.718 179.547 176.870 -0.068 0.000 1.085 232 L CA 1.318 56.112 54.840 -0.076 0.000 0.755 232 L CB -0.350 41.649 42.059 -0.101 0.000 0.904 232 L HN 0.087 nan 8.230 nan 0.000 0.435 233 M N -0.572 118.979 119.600 -0.081 0.000 2.080 233 M HA -0.213 4.267 4.480 -0.001 0.000 0.260 233 M C 2.403 178.678 176.300 -0.041 0.000 1.068 233 M CA 1.943 57.203 55.300 -0.066 0.000 1.109 233 M CB -1.487 31.065 32.600 -0.080 0.000 1.342 233 M HN 0.444 nan 8.290 nan 0.000 0.405 234 A N 0.128 122.928 122.820 -0.034 0.000 1.908 234 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 234 A C 2.282 179.857 177.584 -0.015 0.000 1.181 234 A CA 1.689 53.716 52.037 -0.016 0.000 0.627 234 A CB -0.636 18.361 19.000 -0.005 0.000 0.818 234 A HN 0.485 nan 8.150 nan 0.000 0.445 235 R N -0.653 119.834 120.500 -0.022 0.000 2.081 235 R HA -0.030 4.310 4.340 -0.001 0.000 0.235 235 R C 2.009 178.299 176.300 -0.017 0.000 1.131 235 R CA 1.563 57.652 56.100 -0.018 0.000 0.960 235 R CB -0.489 29.798 30.300 -0.021 0.000 0.856 235 R HN 0.579 nan 8.270 nan 0.000 0.436 236 I N 0.395 120.951 120.570 -0.023 0.000 2.226 236 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 236 I C 2.798 178.910 176.117 -0.008 0.000 1.100 236 I CA 1.091 62.380 61.300 -0.019 0.000 1.374 236 I CB -0.325 37.657 38.000 -0.029 0.000 1.057 236 I HN 0.173 nan 8.210 nan 0.000 0.413 237 R N 1.100 121.595 120.500 -0.008 0.000 2.096 237 R HA -0.226 4.113 4.340 -0.001 0.000 0.240 237 R C 1.499 177.801 176.300 0.002 0.000 1.139 237 R CA 2.219 58.318 56.100 -0.001 0.000 0.952 237 R CB -0.192 30.106 30.300 -0.003 0.000 0.854 237 R HN 0.315 nan 8.270 nan 0.000 0.436 238 D N -0.601 119.798 120.400 -0.001 0.000 2.347 238 D HA 0.001 4.641 4.640 -0.001 0.000 0.213 238 D C 1.202 177.502 176.300 0.000 0.000 0.985 238 D CA 0.954 54.954 54.000 0.000 0.000 0.879 238 D CB 0.336 41.136 40.800 -0.001 0.000 0.919 238 D HN 0.382 nan 8.370 nan 0.000 0.526 239 A N -0.059 122.760 122.820 -0.001 0.000 2.147 239 A HA 0.208 4.527 4.320 -0.001 0.000 0.211 239 A C 0.856 178.441 177.584 0.003 0.000 1.160 239 A CA 0.193 52.230 52.037 -0.001 0.000 0.781 239 A CB 0.632 19.629 19.000 -0.005 0.000 0.842 239 A HN 0.042 nan 8.150 nan 0.000 0.475 240 V N 0.526 120.445 119.914 0.008 0.000 2.604 240 V HA 0.230 4.349 4.120 -0.001 0.000 0.305 240 V C -0.011 176.094 176.094 0.017 0.000 1.043 240 V CA -0.637 61.671 62.300 0.014 0.000 0.888 240 V CB 1.822 33.658 31.823 0.023 0.000 0.995 240 V HN 0.305 nan 8.190 nan 0.000 0.429 241 D N 1.658 122.067 120.400 0.016 0.000 2.144 241 D HA -0.047 4.592 4.640 -0.001 0.000 0.200 241 D C 0.933 177.249 176.300 0.025 0.000 0.978 241 D CA 1.038 55.048 54.000 0.016 0.000 0.833 241 D CB 0.232 41.038 40.800 0.010 0.000 0.961 241 D HN 0.316 nan 8.370 nan 0.000 0.470 242 V N 2.606 122.540 119.914 0.034 0.000 2.655 242 V HA 0.032 4.151 4.120 -0.001 0.000 0.300 242 V C -1.977 174.153 176.094 0.060 0.000 1.044 242 V CA -1.060 61.269 62.300 0.048 0.000 1.095 242 V CB 0.818 32.675 31.823 0.057 0.000 0.952 242 V HN -0.016 nan 8.190 nan 0.000 0.485 243 P HA 0.113 nan 4.420 nan 0.000 0.264 243 P C -0.687 176.669 177.300 0.093 0.000 1.193 243 P CA -0.173 62.974 63.100 0.078 0.000 0.763 243 P CB 0.417 32.176 31.700 0.100 0.000 0.810 244 L N 5.106 126.356 121.223 0.046 0.000 2.289 244 L HA 0.457 4.797 4.340 -0.001 0.000 0.285 244 L C -0.932 175.914 176.870 -0.040 0.000 1.049 244 L CA -0.433 54.424 54.840 0.029 0.000 0.804 244 L CB 0.694 42.761 42.059 0.014 0.000 1.195 244 L HN 0.184 nan 8.230 nan 0.000 0.428 245 L N 5.036 126.203 121.223 -0.093 0.000 2.313 245 L HA 0.765 5.105 4.340 -0.001 0.000 0.283 245 L C -0.173 176.612 176.870 -0.142 0.000 1.013 245 L CA -0.104 54.595 54.840 -0.236 0.000 0.816 245 L CB 1.544 43.224 42.059 -0.631 0.000 1.236 245 L HN 0.787 nan 8.230 nan 0.000 0.419 246 A N 3.020 125.771 122.820 -0.115 0.000 2.363 246 A HA 0.449 4.769 4.320 -0.001 0.000 0.270 246 A C -0.159 177.375 177.584 -0.083 0.000 1.121 246 A CA -0.214 51.776 52.037 -0.078 0.000 0.800 246 A CB 0.559 19.529 19.000 -0.049 0.000 1.052 246 A HN 0.828 nan 8.150 nan 0.000 0.493 247 D N 0.780 121.137 120.400 -0.072 0.000 3.040 247 D HA 0.042 4.681 4.640 -0.001 0.000 0.221 247 D C 1.294 177.544 176.300 -0.082 0.000 1.515 247 D CA 0.493 54.449 54.000 -0.075 0.000 1.379 247 D CB -0.204 40.563 40.800 -0.055 0.000 0.992 247 D HN 0.462 nan 8.370 nan 0.000 0.234 248 E N 0.082 120.221 120.200 -0.103 0.000 2.267 248 E HA -0.031 4.319 4.350 -0.001 0.000 0.197 248 E C 1.952 178.612 176.600 0.099 0.000 0.998 248 E CA 0.828 57.202 56.400 -0.042 0.000 0.830 248 E CB -0.077 29.487 29.700 -0.226 0.000 0.751 248 E HN 0.058 nan 8.360 nan 0.000 0.491 249 S N -0.140 115.563 115.700 0.004 0.000 2.447 249 S HA -0.023 4.447 4.470 -0.001 0.000 0.233 249 S C 0.559 175.201 174.600 0.071 0.000 1.006 249 S CA 0.629 58.825 58.200 -0.006 0.000 0.957 249 S CB 0.153 63.301 63.200 -0.088 0.000 0.773 249 S HN 0.135 nan 8.310 nan 0.000 0.507 250 I N 0.509 121.157 120.570 0.130 0.000 2.468 250 I HA 0.287 4.457 4.170 -0.001 0.000 0.284 250 I C -0.136 176.124 176.117 0.238 0.000 1.038 250 I CA -0.407 61.001 61.300 0.180 0.000 1.083 250 I CB 1.185 39.243 38.000 0.096 0.000 1.223 250 I HN 0.092 nan 8.210 nan 0.000 0.443 251 F N 3.461 123.440 119.950 0.049 0.000 2.208 251 F HA 0.304 4.830 4.527 -0.001 0.000 0.282 251 F C 1.702 177.539 175.800 0.062 0.000 1.071 251 F CA 0.622 58.657 58.000 0.059 0.000 1.228 251 F CB 0.470 39.512 39.000 0.071 0.000 1.088 251 F HN 0.522 nan 8.300 nan 0.000 0.512 252 G N -1.470 107.494 108.800 0.273 0.000 3.176 252 G HA2 0.334 4.293 3.960 -0.001 0.000 0.272 252 G HA3 0.334 4.293 3.960 -0.001 0.000 0.272 252 G C -2.336 172.638 174.900 0.124 0.000 1.349 252 G CA -0.803 44.398 45.100 0.170 0.000 0.953 252 G HN -0.249 nan 8.290 nan 0.000 0.559 253 P HA -0.013 nan 4.420 nan 0.000 0.218 253 P C 1.249 178.586 177.300 0.060 0.000 1.149 253 P CA 1.196 64.337 63.100 0.069 0.000 0.817 253 P CB 0.317 32.052 31.700 0.058 0.000 0.785 254 E N -0.577 119.662 120.200 0.065 0.000 2.047 254 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 254 E C 1.744 178.373 176.600 0.050 0.000 0.987 254 E CA 1.194 57.620 56.400 0.045 0.000 0.799 254 E CB -0.905 28.821 29.700 0.043 0.000 0.752 254 E HN 0.243 nan 8.360 nan 0.000 0.449 255 D N -0.115 120.348 120.400 0.105 0.000 2.117 255 D HA -0.147 4.493 4.640 -0.001 0.000 0.197 255 D C 1.848 178.241 176.300 0.155 0.000 0.987 255 D CA 0.927 55.034 54.000 0.179 0.000 0.829 255 D CB -0.200 40.740 40.800 0.233 0.000 0.961 255 D HN 0.088 nan 8.370 nan 0.000 0.460 256 M N 0.949 120.616 119.600 0.110 0.000 2.108 256 M HA -0.093 4.387 4.480 -0.001 0.000 0.261 256 M C 1.883 178.207 176.300 0.039 0.000 1.066 256 M CA 1.345 56.693 55.300 0.081 0.000 1.107 256 M CB -0.326 32.312 32.600 0.063 0.000 1.356 256 M HN -0.005 nan 8.290 nan 0.000 0.406 257 A N -1.095 121.732 122.820 0.012 0.000 1.930 257 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 257 A C 2.116 179.653 177.584 -0.079 0.000 1.175 257 A CA 1.892 53.916 52.037 -0.021 0.000 0.627 257 A CB -0.811 18.179 19.000 -0.016 0.000 0.815 257 A HN 0.641 nan 8.150 nan 0.000 0.443 258 E N -1.136 118.969 120.200 -0.159 0.000 2.208 258 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 258 E C 0.003 176.257 176.600 -0.577 0.000 0.988 258 E CA 0.580 56.744 56.400 -0.392 0.000 0.828 258 E CB 0.071 29.434 29.700 -0.562 0.000 0.763 258 E HN 0.697 nan 8.360 nan 0.000 0.478 259 H N -0.759 118.319 119.070 0.014 0.000 2.386 259 H HA 0.155 4.711 4.556 -0.001 0.000 0.232 259 H C -1.969 173.363 175.328 0.007 0.000 1.416 259 H CA -1.536 54.518 56.048 0.010 0.000 1.285 259 H CB 0.898 30.667 29.762 0.012 0.000 1.625 259 H HN 0.233 nan 8.280 nan 0.000 0.521 260 P HA -0.076 nan 4.420 nan 0.000 0.223 260 P C 0.750 178.075 177.300 0.041 0.000 1.151 260 P CA 1.054 64.178 63.100 0.041 0.000 0.787 260 P CB 0.751 32.460 31.700 0.015 0.000 0.788 261 E N -0.545 119.683 120.200 0.047 0.000 2.693 261 E HA 0.148 4.498 4.350 -0.001 0.000 0.214 261 E C 1.530 178.146 176.600 0.027 0.000 0.990 261 E CA -0.147 56.271 56.400 0.030 0.000 1.047 261 E CB 0.027 29.741 29.700 0.023 0.000 1.039 261 E HN 0.442 nan 8.360 nan 0.000 0.475 262 I N -2.887 117.704 120.570 0.035 0.000 3.059 262 I HA 0.332 4.502 4.170 -0.001 0.000 0.270 262 I C 0.862 176.974 176.117 -0.008 0.000 1.238 262 I CA 0.048 61.355 61.300 0.011 0.000 1.478 262 I CB 0.332 38.332 38.000 0.000 0.000 1.097 262 I HN -0.133 nan 8.210 nan 0.000 0.455 263 A N 0.562 123.379 122.820 -0.004 0.000 2.602 263 A HA 0.410 4.729 4.320 -0.001 0.000 0.290 263 A C -0.360 177.216 177.584 -0.014 0.000 1.114 263 A CA -0.481 51.546 52.037 -0.017 0.000 0.683 263 A CB 0.712 19.691 19.000 -0.036 0.000 1.281 263 A HN 0.114 nan 8.150 nan 0.000 0.416 264 D N -0.113 120.276 120.400 -0.019 0.000 2.323 264 D HA 0.279 4.919 4.640 -0.001 0.000 0.209 264 D C 0.820 177.103 176.300 -0.027 0.000 0.973 264 D CA 1.788 55.781 54.000 -0.013 0.000 0.874 264 D CB 0.635 41.435 40.800 0.000 0.000 0.930 264 D HN 0.837 nan 8.370 nan 0.000 0.521 265 G N -0.463 108.301 108.800 -0.060 0.000 2.600 265 G HA2 0.440 4.399 3.960 -0.001 0.000 0.293 265 G HA3 0.440 4.399 3.960 -0.001 0.000 0.293 265 G C -1.975 172.861 174.900 -0.106 0.000 1.408 265 G CA -0.419 44.633 45.100 -0.081 0.000 0.782 265 G HN 0.006 nan 8.290 nan 0.000 0.482 266 V N -0.337 119.519 119.914 -0.097 0.000 2.841 266 V HA 0.753 4.872 4.120 -0.001 0.000 0.310 266 V C -0.126 175.927 176.094 -0.069 0.000 1.090 266 V CA -0.538 61.715 62.300 -0.078 0.000 0.930 266 V CB 2.014 33.821 31.823 -0.027 0.000 1.014 266 V HN 1.135 nan 8.190 nan 0.000 0.425 267 S N 7.062 122.725 115.700 -0.061 0.000 2.448 267 S HA 0.488 4.958 4.470 -0.001 0.000 0.279 267 S C -0.374 174.210 174.600 -0.025 0.000 1.195 267 S CA -0.659 57.551 58.200 0.017 0.000 1.051 267 S CB -0.080 63.151 63.200 0.050 0.000 0.948 267 S HN 0.512 nan 8.310 nan 0.000 0.493 268 I N 5.774 126.322 120.570 -0.037 0.000 2.325 268 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 268 I C 0.178 176.270 176.117 -0.041 0.000 1.019 268 I CA -0.187 61.093 61.300 -0.033 0.000 1.302 268 I CB 0.790 38.778 38.000 -0.021 0.000 1.401 268 I HN 0.634 nan 8.210 nan 0.000 0.485 269 K N 6.432 126.814 120.400 -0.031 0.000 2.507 269 K HA 0.394 4.713 4.320 -0.001 0.000 0.251 269 K C 1.153 177.763 176.600 0.016 0.000 0.943 269 K CA -0.573 55.710 56.287 -0.008 0.000 0.794 269 K CB 2.838 35.309 32.500 -0.047 0.000 1.188 269 K HN 0.544 nan 8.250 nan 0.000 0.428 270 I N -0.585 120.021 120.570 0.059 0.000 2.454 270 I HA -0.230 3.939 4.170 -0.001 0.000 0.254 270 I C 1.318 177.477 176.117 0.070 0.000 1.156 270 I CA 1.187 62.530 61.300 0.072 0.000 1.433 270 I CB -0.157 37.893 38.000 0.083 0.000 1.082 270 I HN 0.509 nan 8.210 nan 0.000 0.432 271 M N 1.404 121.036 119.600 0.054 0.000 2.374 271 M HA -0.059 4.421 4.480 -0.001 0.000 0.264 271 M C 2.006 178.337 176.300 0.050 0.000 1.067 271 M CA 1.519 56.859 55.300 0.067 0.000 1.103 271 M CB -0.994 31.649 32.600 0.071 0.000 1.402 271 M HN 0.397 nan 8.290 nan 0.000 0.444 272 K N -0.005 120.356 120.400 -0.065 0.000 2.128 272 K HA 0.025 4.345 4.320 -0.001 0.000 0.202 272 K C 2.009 178.675 176.600 0.109 0.000 1.050 272 K CA 1.425 57.596 56.287 -0.193 0.000 0.966 272 K CB -0.077 32.058 32.500 -0.608 0.000 0.759 272 K HN 0.344 nan 8.250 nan 0.000 0.454 273 S N -0.050 115.698 115.700 0.080 0.000 2.561 273 S HA 0.066 4.535 4.470 -0.001 0.000 0.225 273 S C 1.372 176.061 174.600 0.147 0.000 0.977 273 S CA 0.470 58.746 58.200 0.127 0.000 0.926 273 S CB 0.051 63.306 63.200 0.092 0.000 0.769 273 S HN 0.437 nan 8.310 nan 0.000 0.533 274 G N 0.062 108.952 108.800 0.149 0.000 2.160 274 G HA2 0.264 4.223 3.960 -0.001 0.000 0.244 274 G HA3 0.264 4.223 3.960 -0.001 0.000 0.244 274 G C 0.566 175.550 174.900 0.140 0.000 1.022 274 G CA -0.106 45.083 45.100 0.148 0.000 0.741 274 G HN 1.792 nan 8.290 nan 0.000 0.508 275 G N -2.258 106.624 108.800 0.137 0.000 2.369 275 G HA2 0.355 4.315 3.960 -0.001 0.000 0.295 275 G HA3 0.355 4.315 3.960 -0.001 0.000 0.295 275 G C 0.546 175.536 174.900 0.151 0.000 1.298 275 G CA -0.162 45.035 45.100 0.162 0.000 0.940 275 G HN 0.826 nan 8.290 nan 0.000 0.536 276 L N -0.076 121.257 121.223 0.184 0.000 2.127 276 L HA 0.055 4.395 4.340 -0.001 0.000 0.203 276 L C 3.139 180.062 176.870 0.090 0.000 1.080 276 L CA 1.902 56.803 54.840 0.102 0.000 0.768 276 L CB -1.143 40.910 42.059 -0.009 0.000 0.924 276 L HN 0.689 nan 8.230 nan 0.000 0.444 277 T N -0.183 114.467 114.554 0.159 0.000 2.684 277 T HA -0.188 4.161 4.350 -0.001 0.000 0.267 277 T C 2.068 176.825 174.700 0.095 0.000 1.036 277 T CA 1.386 63.561 62.100 0.126 0.000 1.148 277 T CB -0.249 68.718 68.868 0.165 0.000 0.863 277 T HN 0.253 nan 8.240 nan 0.000 0.436 278 R N 0.860 121.424 120.500 0.108 0.000 2.115 278 R HA 0.133 4.473 4.340 -0.001 0.000 0.230 278 R C 2.820 179.167 176.300 0.078 0.000 1.111 278 R CA 0.991 57.145 56.100 0.091 0.000 0.976 278 R CB -0.427 29.934 30.300 0.102 0.000 0.870 278 R HN 0.399 nan 8.270 nan 0.000 0.445 279 A N 1.148 124.014 122.820 0.077 0.000 1.877 279 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 279 A C 2.013 179.627 177.584 0.049 0.000 1.186 279 A CA 1.240 53.313 52.037 0.060 0.000 0.620 279 A CB -0.397 18.641 19.000 0.062 0.000 0.822 279 A HN 0.318 nan 8.150 nan 0.000 0.443 280 Q N -0.868 118.961 119.800 0.048 0.000 2.096 280 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 280 Q C 2.176 178.199 176.000 0.038 0.000 0.982 280 Q CA 1.980 57.806 55.803 0.039 0.000 0.850 280 Q CB -0.509 28.250 28.738 0.035 0.000 0.901 280 Q HN 0.674 nan 8.270 nan 0.000 0.422 281 T N 0.626 115.207 114.554 0.045 0.000 2.746 281 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 281 T C 2.056 176.779 174.700 0.040 0.000 1.039 281 T CA 1.276 63.401 62.100 0.042 0.000 1.142 281 T CB -0.228 68.668 68.868 0.047 0.000 0.866 281 T HN 0.058 nan 8.240 nan 0.000 0.444 282 V N 1.770 121.710 119.914 0.044 0.000 2.287 282 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 282 V C 2.890 179.002 176.094 0.030 0.000 1.053 282 V CA 1.797 64.122 62.300 0.041 0.000 1.027 282 V CB -1.209 30.641 31.823 0.046 0.000 0.646 282 V HN 0.538 nan 8.190 nan 0.000 0.447 283 A N -0.145 122.691 122.820 0.027 0.000 1.930 283 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 283 A C 2.364 179.960 177.584 0.020 0.000 1.175 283 A CA 1.663 53.712 52.037 0.020 0.000 0.627 283 A CB -0.439 18.573 19.000 0.019 0.000 0.815 283 A HN 0.519 nan 8.150 nan 0.000 0.443 284 R N -1.060 119.453 120.500 0.023 0.000 2.092 284 R HA 0.028 4.368 4.340 -0.001 0.000 0.231 284 R C 2.209 178.520 176.300 0.019 0.000 1.119 284 R CA 1.578 57.691 56.100 0.020 0.000 0.970 284 R CB -0.341 29.972 30.300 0.022 0.000 0.864 284 R HN 0.530 nan 8.270 nan 0.000 0.440 285 M N -0.121 119.492 119.600 0.022 0.000 2.132 285 M HA -0.101 4.379 4.480 -0.001 0.000 0.263 285 M C 2.483 178.794 176.300 0.018 0.000 1.065 285 M CA 1.657 56.969 55.300 0.021 0.000 1.122 285 M CB -0.248 32.367 32.600 0.025 0.000 1.365 285 M HN 0.256 nan 8.290 nan 0.000 0.411 286 A N 0.520 123.351 122.820 0.018 0.000 1.858 286 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 286 A C 2.362 179.953 177.584 0.012 0.000 1.190 286 A CA 2.055 54.100 52.037 0.014 0.000 0.617 286 A CB -1.100 17.906 19.000 0.011 0.000 0.827 286 A HN 0.491 nan 8.150 nan 0.000 0.443 287 A N -0.275 122.553 122.820 0.013 0.000 1.972 287 A HA 0.164 4.483 4.320 -0.001 0.000 0.219 287 A C 2.442 180.033 177.584 0.011 0.000 1.169 287 A CA 1.999 54.043 52.037 0.012 0.000 0.635 287 A CB -0.967 18.041 19.000 0.013 0.000 0.810 287 A HN 1.153 nan 8.150 nan 0.000 0.446 288 A N -0.728 122.099 122.820 0.012 0.000 2.024 288 A HA -0.130 4.190 4.320 -0.001 0.000 0.220 288 A C 2.130 179.720 177.584 0.010 0.000 1.164 288 A CA 1.568 53.611 52.037 0.011 0.000 0.643 288 A CB -0.295 18.712 19.000 0.012 0.000 0.806 288 A HN 0.513 nan 8.150 nan 0.000 0.451 289 R N -2.176 118.330 120.500 0.010 0.000 2.472 289 R HA 0.283 4.622 4.340 -0.001 0.000 0.279 289 R C 0.889 177.195 176.300 0.009 0.000 0.953 289 R CA 0.517 56.622 56.100 0.009 0.000 1.088 289 R CB 0.365 30.671 30.300 0.009 0.000 1.197 289 R HN 0.643 nan 8.270 nan 0.000 0.536 290 G N 1.290 110.096 108.800 0.009 0.000 2.132 290 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.228 290 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.228 290 G C -0.090 174.816 174.900 0.009 0.000 1.000 290 G CA -0.344 44.762 45.100 0.009 0.000 0.693 290 G HN 0.121 nan 8.290 nan 0.000 0.515 291 L N 1.139 122.367 121.223 0.008 0.000 2.312 291 L HA 0.543 4.883 4.340 -0.001 0.000 0.281 291 L C 0.997 177.869 176.870 0.003 0.000 1.070 291 L CA -0.718 54.124 54.840 0.003 0.000 0.805 291 L CB 1.520 43.580 42.059 0.001 0.000 1.174 291 L HN 0.133 nan 8.230 nan 0.000 0.434 292 S N 1.467 117.165 115.700 -0.003 0.000 2.584 292 S HA 0.525 4.995 4.470 -0.001 0.000 0.270 292 S C 0.074 174.670 174.600 -0.006 0.000 1.346 292 S CA -0.537 57.665 58.200 0.003 0.000 1.018 292 S CB 1.245 64.447 63.200 0.004 0.000 0.899 292 S HN 0.714 nan 8.310 nan 0.000 0.542 293 A N 1.897 124.728 122.820 0.019 0.000 2.393 293 A HA 0.679 4.999 4.320 -0.001 0.000 0.306 293 A C -1.526 176.107 177.584 0.081 0.000 1.050 293 A CA -0.536 51.517 52.037 0.026 0.000 0.724 293 A CB 0.955 19.965 19.000 0.017 0.000 1.248 293 A HN 0.750 nan 8.150 nan 0.000 0.424 294 Y N 1.134 121.381 120.300 -0.089 0.000 2.462 294 Y HA 0.594 5.144 4.550 -0.001 0.000 0.346 294 Y C 0.465 176.317 175.900 -0.081 0.000 0.976 294 Y CA -0.693 57.362 58.100 -0.075 0.000 1.044 294 Y CB 1.976 40.355 38.460 -0.134 0.000 1.230 294 Y HN 0.798 nan 8.280 nan 0.000 0.455 295 G N 3.675 112.035 108.800 -0.733 0.000 2.770 295 G HA2 0.434 4.394 3.960 -0.001 0.000 0.307 295 G HA3 0.434 4.394 3.960 -0.001 0.000 0.307 295 G C 0.208 174.484 174.900 -1.041 0.000 0.863 295 G CA 0.051 44.729 45.100 -0.702 0.000 1.595 295 G HN 0.989 nan 8.290 nan 0.000 0.496 296 G N 1.413 109.821 108.800 -0.652 0.000 2.580 296 G HA2 0.555 4.514 3.960 -0.001 0.000 0.278 296 G HA3 0.555 4.514 3.960 -0.001 0.000 0.278 296 G C -0.438 174.357 174.900 -0.176 0.000 1.212 296 G CA -0.224 44.652 45.100 -0.373 0.000 0.939 296 G HN 0.664 nan 8.290 nan 0.000 0.513 297 D N -1.741 118.612 120.400 -0.078 0.000 2.677 297 D HA 0.424 5.063 4.640 -0.001 0.000 0.298 297 D C -0.175 176.083 176.300 -0.070 0.000 1.250 297 D CA -0.694 53.315 54.000 0.015 0.000 0.888 297 D CB 0.793 41.691 40.800 0.163 0.000 1.397 297 D HN 0.183 nan 8.370 nan 0.000 0.461 298 M N -0.765 118.795 119.600 -0.066 0.000 2.634 298 M HA 0.411 4.890 4.480 -0.001 0.000 0.251 298 M C -0.045 176.068 176.300 -0.311 0.000 1.092 298 M CA -0.711 54.490 55.300 -0.165 0.000 1.015 298 M CB -0.136 32.470 32.600 0.010 0.000 1.427 298 M HN 0.379 nan 8.290 nan 0.000 0.580 299 F N 1.390 121.269 119.950 -0.119 0.000 2.600 299 F HA 0.134 4.660 4.527 -0.001 0.000 0.345 299 F C 0.643 176.397 175.800 -0.076 0.000 1.271 299 F CA 0.097 58.018 58.000 -0.131 0.000 1.138 299 F CB -0.237 38.647 39.000 -0.194 0.000 1.449 299 F HN 0.349 nan 8.300 nan 0.000 0.645 300 E N 1.162 121.391 120.200 0.048 0.000 2.281 300 E HA 0.781 5.131 4.350 -0.001 0.000 0.262 300 E C -0.495 175.944 176.600 -0.268 0.000 0.933 300 E CA -1.079 55.277 56.400 -0.074 0.000 0.809 300 E CB 1.942 31.612 29.700 -0.049 0.000 1.242 300 E HN 0.500 nan 8.360 nan 0.000 0.418 301 A N 0.135 122.725 122.820 -0.382 0.000 2.326 301 A HA 0.590 4.910 4.320 -0.001 0.000 0.303 301 A C 1.127 178.192 177.584 -0.866 0.000 1.164 301 A CA 0.071 51.789 52.037 -0.532 0.000 0.929 301 A CB 0.285 19.099 19.000 -0.309 0.000 1.363 301 A HN 0.719 nan 8.150 nan 0.000 0.498 302 G N -1.098 107.316 108.800 -0.644 0.000 2.470 302 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.220 302 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.220 302 G C 1.206 175.925 174.900 -0.302 0.000 1.121 302 G CA 1.310 46.082 45.100 -0.546 0.000 0.766 302 G HN 0.611 nan 8.290 nan 0.000 0.553 303 L N 1.294 122.367 121.223 -0.250 0.000 2.005 303 L HA 0.231 4.571 4.340 -0.001 0.000 0.207 303 L C 2.998 179.787 176.870 -0.134 0.000 1.072 303 L CA 2.191 56.946 54.840 -0.142 0.000 0.744 303 L CB -0.840 41.144 42.059 -0.125 0.000 0.895 303 L HN 0.185 nan 8.230 nan 0.000 0.433 304 A N -1.461 121.245 122.820 -0.190 0.000 1.933 304 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 304 A C 2.136 179.583 177.584 -0.228 0.000 1.175 304 A CA 1.630 53.578 52.037 -0.149 0.000 0.628 304 A CB -0.954 17.975 19.000 -0.119 0.000 0.814 304 A HN 0.659 nan 8.150 nan 0.000 0.444 305 H N 0.043 118.816 119.070 -0.495 0.000 2.319 305 H HA -0.081 4.474 4.556 -0.001 0.000 0.299 305 H C 2.000 176.953 175.328 -0.625 0.000 1.092 305 H CA 1.637 57.138 56.048 -0.912 0.000 1.302 305 H CB -0.660 28.357 29.762 -1.243 0.000 1.373 305 H HN 0.430 nan 8.280 nan 0.000 0.497 306 L N -0.190 121.023 121.223 -0.017 0.000 2.046 306 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 306 L C 2.769 179.730 176.870 0.151 0.000 1.077 306 L CA 0.975 55.933 54.840 0.196 0.000 0.747 306 L CB -0.540 41.666 42.059 0.246 0.000 0.896 306 L HN 0.256 nan 8.230 nan 0.000 0.432 307 A N 0.337 123.172 122.820 0.026 0.000 1.883 307 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 307 A C 2.406 180.002 177.584 0.021 0.000 1.186 307 A CA 1.949 54.009 52.037 0.038 0.000 0.624 307 A CB -1.363 17.643 19.000 0.011 0.000 0.822 307 A HN 0.446 nan 8.150 nan 0.000 0.444 308 G N -0.795 107.915 108.800 -0.150 0.000 2.422 308 G HA2 0.038 3.998 3.960 -0.001 0.000 0.218 308 G HA3 0.038 3.998 3.960 -0.001 0.000 0.218 308 G C 1.730 176.691 174.900 0.102 0.000 1.146 308 G CA 1.418 46.482 45.100 -0.059 0.000 0.769 308 G HN 0.821 nan 8.290 nan 0.000 0.547 309 A N 0.177 122.966 122.820 -0.052 0.000 1.902 309 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 309 A C 2.147 179.796 177.584 0.109 0.000 1.181 309 A CA 1.631 53.776 52.037 0.179 0.000 0.623 309 A CB -0.715 18.377 19.000 0.153 0.000 0.818 309 A HN 0.470 nan 8.150 nan 0.000 0.443 310 H N -1.554 117.595 119.070 0.131 0.000 2.357 310 H HA -0.101 4.454 4.556 -0.001 0.000 0.301 310 H C 2.180 177.586 175.328 0.129 0.000 1.082 310 H CA 1.714 57.872 56.048 0.182 0.000 1.342 310 H CB -0.231 29.612 29.762 0.135 0.000 1.389 310 H HN 0.447 nan 8.280 nan 0.000 0.511 311 M N 1.044 120.757 119.600 0.188 0.000 2.065 311 M HA -0.153 4.327 4.480 -0.001 0.000 0.259 311 M C 2.235 178.593 176.300 0.097 0.000 1.069 311 M CA 1.490 56.854 55.300 0.107 0.000 1.110 311 M CB -0.689 31.962 32.600 0.084 0.000 1.328 311 M HN 0.166 nan 8.290 nan 0.000 0.405 312 I N 0.659 121.301 120.570 0.119 0.000 2.286 312 I HA -0.254 3.916 4.170 -0.001 0.000 0.248 312 I C 2.598 178.733 176.117 0.030 0.000 1.115 312 I CA 1.141 62.488 61.300 0.079 0.000 1.392 312 I CB -0.749 37.316 38.000 0.109 0.000 1.065 312 I HN 0.352 nan 8.210 nan 0.000 0.418 313 A N 0.725 123.554 122.820 0.015 0.000 1.978 313 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 313 A C 2.312 179.834 177.584 -0.102 0.000 1.170 313 A CA 1.928 53.908 52.037 -0.095 0.000 0.636 313 A CB -0.612 18.266 19.000 -0.203 0.000 0.810 313 A HN 0.455 nan 8.150 nan 0.000 0.448 314 A N -1.395 121.428 122.820 0.004 0.000 2.275 314 A HA 0.375 4.694 4.320 -0.001 0.000 0.212 314 A C 0.652 178.243 177.584 0.012 0.000 1.201 314 A CA 0.785 52.836 52.037 0.024 0.000 0.843 314 A CB -0.146 18.917 19.000 0.104 0.000 0.873 314 A HN 0.232 nan 8.150 nan 0.000 0.492 315 T N 1.344 115.901 114.554 0.005 0.000 3.064 315 T HA 0.339 4.688 4.350 -0.001 0.000 0.367 315 T C -2.346 172.354 174.700 0.001 0.000 1.202 315 T CA -0.991 61.115 62.100 0.010 0.000 1.133 315 T CB 1.601 70.482 68.868 0.021 0.000 1.074 315 T HN 0.027 nan 8.240 nan 0.000 0.519 316 P HA -0.060 nan 4.420 nan 0.000 0.219 316 P C 1.151 178.453 177.300 0.002 0.000 1.146 316 P CA 0.940 64.036 63.100 -0.008 0.000 0.808 316 P CB 0.370 32.064 31.700 -0.009 0.000 0.779 317 E N -0.375 119.829 120.200 0.007 0.000 2.265 317 E HA -0.067 4.283 4.350 -0.001 0.000 0.196 317 E C 0.739 177.349 176.600 0.016 0.000 0.996 317 E CA 0.497 56.904 56.400 0.012 0.000 0.832 317 E CB -0.658 29.050 29.700 0.014 0.000 0.756 317 E HN 0.336 nan 8.360 nan 0.000 0.491 318 I N 1.773 122.351 120.570 0.013 0.000 2.329 318 I HA 0.014 4.184 4.170 -0.001 0.000 0.295 318 I C 0.685 176.814 176.117 0.020 0.000 1.109 318 I CA 0.126 61.434 61.300 0.014 0.000 1.297 318 I CB 0.553 38.551 38.000 -0.003 0.000 1.433 318 I HN 0.053 nan 8.210 nan 0.000 0.509 319 T N 2.238 116.817 114.554 0.041 0.000 3.040 319 T HA 0.276 4.626 4.350 -0.001 0.000 0.266 319 T C 0.992 175.737 174.700 0.075 0.000 1.005 319 T CA -0.111 62.016 62.100 0.045 0.000 0.906 319 T CB 0.113 69.004 68.868 0.039 0.000 1.082 319 T HN 0.431 nan 8.240 nan 0.000 0.531 320 L N 1.584 122.887 121.223 0.133 0.000 2.653 320 L HA 0.487 4.827 4.340 -0.001 0.000 0.231 320 L C 1.454 178.481 176.870 0.263 0.000 1.153 320 L CA 0.141 55.116 54.840 0.225 0.000 0.933 320 L CB -0.596 41.678 42.059 0.358 0.000 1.175 320 L HN 0.677 nan 8.230 nan 0.000 0.473 321 G N 0.023 108.891 108.800 0.113 0.000 2.660 321 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.247 321 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.247 321 G C -0.597 174.208 174.900 -0.159 0.000 1.328 321 G CA -0.575 44.536 45.100 0.019 0.000 0.884 321 G HN 0.363 nan 8.290 nan 0.000 0.531 322 C N -1.955 117.174 119.300 -0.285 0.000 3.171 322 C HA 0.921 5.381 4.460 -0.001 0.000 0.308 322 C C 0.267 174.946 174.990 -0.519 0.000 1.334 322 C CA 0.119 58.719 59.018 -0.697 0.000 1.473 322 C CB 1.565 28.724 27.740 -0.968 0.000 1.866 322 C HN 1.385 nan 8.230 nan 0.000 0.465 323 E N 0.028 119.832 120.200 -0.660 0.000 2.939 323 E HA 0.256 4.605 4.350 -0.001 0.000 0.215 323 E C -0.942 175.547 176.600 -0.184 0.000 1.025 323 E CA -0.365 55.931 56.400 -0.173 0.000 1.259 323 E CB -0.221 29.526 29.700 0.077 0.000 1.228 323 E HN 0.704 nan 8.360 nan 0.000 0.443 324 F N 2.040 121.863 119.950 -0.211 0.000 2.666 324 F HA 0.111 4.638 4.527 -0.001 0.000 0.362 324 F C 0.670 176.172 175.800 -0.496 0.000 1.190 324 F CA -0.822 56.735 58.000 -0.739 0.000 1.328 324 F CB -0.224 38.374 39.000 -0.670 0.000 1.682 324 F HN 0.348 nan 8.300 nan 0.000 0.623 325 Y N -1.692 118.567 120.300 -0.068 0.000 2.478 325 Y HA 0.164 4.713 4.550 -0.001 0.000 0.261 325 Y C 1.644 177.729 175.900 0.308 0.000 1.127 325 Y CA -0.115 58.102 58.100 0.196 0.000 1.288 325 Y CB -0.452 38.117 38.460 0.181 0.000 1.084 325 Y HN 0.090 nan 8.280 nan 0.000 0.530 326 Q N 1.750 121.370 119.800 -0.300 0.000 2.079 326 Q HA 0.002 4.341 4.340 -0.001 0.000 0.200 326 Q C 2.561 178.671 176.000 0.182 0.000 0.974 326 Q CA 1.979 57.758 55.803 -0.040 0.000 0.840 326 Q CB -0.464 28.231 28.738 -0.071 0.000 0.898 326 Q HN 0.620 nan 8.270 nan 0.000 0.430 327 A N -0.109 122.809 122.820 0.164 0.000 1.978 327 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 327 A C 2.070 179.693 177.584 0.066 0.000 1.170 327 A CA 1.985 54.028 52.037 0.009 0.000 0.636 327 A CB -0.677 18.254 19.000 -0.116 0.000 0.810 327 A HN 0.383 nan 8.150 nan 0.000 0.448 328 T N -2.514 112.098 114.554 0.098 0.000 2.939 328 T HA 0.067 4.417 4.350 -0.001 0.000 0.254 328 T C 1.202 175.749 174.700 -0.254 0.000 1.041 328 T CA 1.306 63.329 62.100 -0.128 0.000 1.142 328 T CB -0.214 68.490 68.868 -0.273 0.000 0.874 328 T HN 0.603 nan 8.240 nan 0.000 0.452 329 Y N -1.425 119.028 120.300 0.256 0.000 2.453 329 Y HA 0.448 4.997 4.550 -0.001 0.000 0.247 329 Y C 1.237 177.340 175.900 0.337 0.000 1.124 329 Y CA -0.666 57.596 58.100 0.270 0.000 1.243 329 Y CB 0.619 39.258 38.460 0.298 0.000 1.213 329 Y HN 0.143 nan 8.280 nan 0.000 0.523 330 F N -0.581 119.510 119.950 0.236 0.000 2.421 330 F HA 0.383 4.910 4.527 -0.001 0.000 0.270 330 F C 0.197 176.024 175.800 0.045 0.000 0.894 330 F CA -0.326 57.774 58.000 0.167 0.000 1.128 330 F CB -0.001 39.126 39.000 0.212 0.000 1.011 330 F HN -0.357 nan 8.300 nan 0.000 0.788 331 L N 1.285 122.499 121.223 -0.015 0.000 2.455 331 L HA -0.021 4.319 4.340 -0.001 0.000 0.272 331 L C 1.211 177.986 176.870 -0.158 0.000 1.174 331 L CA -0.522 54.206 54.840 -0.188 0.000 0.869 331 L CB 0.796 42.764 42.059 -0.152 0.000 1.130 331 L HN 0.348 nan 8.230 nan 0.000 0.474 332 C N 0.811 119.991 119.300 -0.200 0.000 2.440 332 C HA -0.052 4.408 4.460 -0.001 0.000 0.278 332 C C 0.792 175.733 174.990 -0.082 0.000 1.295 332 C CA 0.279 59.226 59.018 -0.117 0.000 1.738 332 C CB -0.777 26.902 27.740 -0.101 0.000 1.987 332 C HN 0.746 nan 8.230 nan 0.000 0.492 333 D N -0.546 119.770 120.400 -0.139 0.000 2.756 333 D HA 0.295 4.935 4.640 -0.001 0.000 0.226 333 D C -1.358 174.829 176.300 -0.190 0.000 1.186 333 D CA -0.209 53.740 54.000 -0.086 0.000 0.845 333 D CB 1.993 42.841 40.800 0.079 0.000 1.610 333 D HN 0.084 nan 8.370 nan 0.000 0.465 334 D N 0.185 120.523 120.400 -0.104 0.000 2.487 334 D HA 0.345 4.984 4.640 -0.001 0.000 0.262 334 D C 0.860 177.106 176.300 -0.091 0.000 1.130 334 D CA -0.586 53.331 54.000 -0.137 0.000 1.038 334 D CB 1.229 41.974 40.800 -0.090 0.000 1.142 334 D HN 0.425 nan 8.370 nan 0.000 0.575 335 I N -1.020 119.479 120.570 -0.119 0.000 3.941 335 I HA 0.320 4.490 4.170 -0.001 0.000 0.335 335 I C -0.300 175.738 176.117 -0.132 0.000 1.402 335 I CA -0.361 60.880 61.300 -0.099 0.000 1.112 335 I CB -0.070 37.846 38.000 -0.140 0.000 1.043 335 I HN -0.042 nan 8.210 nan 0.000 0.395 336 L N 1.123 122.287 121.223 -0.098 0.000 2.399 336 L HA 0.540 4.880 4.340 -0.001 0.000 0.265 336 L C 1.639 178.469 176.870 -0.067 0.000 1.089 336 L CA -0.372 54.413 54.840 -0.091 0.000 0.802 336 L CB 1.623 43.663 42.059 -0.032 0.000 1.180 336 L HN 0.149 nan 8.230 nan 0.000 0.454 337 A N 1.616 124.391 122.820 -0.074 0.000 2.066 337 A HA 0.349 4.669 4.320 -0.001 0.000 0.218 337 A C 0.835 178.402 177.584 -0.028 0.000 1.157 337 A CA 1.287 53.291 52.037 -0.054 0.000 0.670 337 A CB -0.200 18.765 19.000 -0.059 0.000 0.804 337 A HN 0.742 nan 8.150 nan 0.000 0.453 338 A N -1.022 121.788 122.820 -0.017 0.000 2.527 338 A HA 0.678 4.998 4.320 -0.001 0.000 0.293 338 A C -3.064 174.528 177.584 0.013 0.000 1.117 338 A CA -1.752 50.282 52.037 -0.005 0.000 0.723 338 A CB 0.338 19.334 19.000 -0.007 0.000 1.313 338 A HN 0.018 nan 8.150 nan 0.000 0.411 339 P HA 0.194 nan 4.420 nan 0.000 0.264 339 P C -0.443 176.896 177.300 0.066 0.000 1.193 339 P CA 0.210 63.334 63.100 0.039 0.000 0.763 339 P CB -0.018 31.690 31.700 0.013 0.000 0.810 340 F N 6.823 126.770 119.950 -0.006 0.000 2.612 340 F HA 0.083 4.609 4.527 -0.001 0.000 0.389 340 F C -1.854 173.965 175.800 0.031 0.000 1.055 340 F CA -1.877 56.137 58.000 0.022 0.000 1.232 340 F CB -0.143 38.895 39.000 0.063 0.000 1.044 340 F HN 0.261 nan 8.300 nan 0.000 0.560 341 P HA 0.210 nan 4.420 nan 0.000 0.286 341 P C -1.366 175.678 177.300 -0.426 0.000 1.321 341 P CA -0.022 62.825 63.100 -0.423 0.000 0.790 341 P CB 1.203 32.717 31.700 -0.310 0.000 0.897 342 V N 3.176 122.981 119.914 -0.182 0.000 2.686 342 V HA 0.800 4.920 4.120 -0.001 0.000 0.306 342 V C -0.191 175.904 176.094 0.002 0.000 1.065 342 V CA -0.706 61.565 62.300 -0.048 0.000 0.894 342 V CB 1.947 33.808 31.823 0.063 0.000 1.004 342 V HN 0.733 nan 8.190 nan 0.000 0.424 343 A N 2.498 125.339 122.820 0.035 0.000 2.574 343 A HA 0.754 5.074 4.320 -0.001 0.000 0.297 343 A C -0.370 177.267 177.584 0.087 0.000 1.062 343 A CA -0.393 51.670 52.037 0.044 0.000 0.686 343 A CB 1.333 20.338 19.000 0.007 0.000 1.285 343 A HN 0.849 nan 8.150 nan 0.000 0.403 344 D N 0.646 121.099 120.400 0.087 0.000 2.772 344 D HA -0.186 4.454 4.640 -0.001 0.000 0.233 344 D C 1.092 177.528 176.300 0.226 0.000 1.143 344 D CA 2.873 56.939 54.000 0.111 0.000 0.700 344 D CB -1.289 39.544 40.800 0.055 0.000 1.076 344 D HN 2.236 nan 8.370 nan 0.000 0.430 345 G N -0.593 108.305 108.800 0.163 0.000 2.148 345 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.254 345 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.254 345 G C 0.012 174.892 174.900 -0.033 0.000 0.981 345 G CA 0.776 45.921 45.100 0.074 0.000 0.670 345 G HN 0.676 nan 8.290 nan 0.000 0.528 346 H N -1.790 117.296 119.070 0.026 0.000 2.821 346 H HA 0.613 5.169 4.556 -0.001 0.000 0.373 346 H C -0.060 175.281 175.328 0.021 0.000 1.165 346 H CA -0.631 55.428 56.048 0.019 0.000 1.154 346 H CB 1.952 31.709 29.762 -0.008 0.000 1.765 346 H HN 0.177 nan 8.280 nan 0.000 0.549 347 V N 3.453 123.460 119.914 0.156 0.000 2.530 347 V HA 0.103 4.223 4.120 -0.001 0.000 0.282 347 V C 0.062 176.164 176.094 0.012 0.000 1.048 347 V CA -0.374 61.966 62.300 0.067 0.000 0.997 347 V CB 0.385 32.321 31.823 0.188 0.000 0.987 347 V HN 0.452 nan 8.190 nan 0.000 0.477 348 L N 5.773 126.938 121.223 -0.097 0.000 2.257 348 L HA 0.421 4.760 4.340 -0.001 0.000 0.290 348 L C -0.272 176.532 176.870 -0.111 0.000 1.044 348 L CA -0.618 54.170 54.840 -0.087 0.000 0.810 348 L CB 1.365 43.371 42.059 -0.089 0.000 1.193 348 L HN 0.350 nan 8.230 nan 0.000 0.425 349 V N 5.308 125.171 119.914 -0.084 0.000 2.470 349 V HA 0.169 4.289 4.120 -0.001 0.000 0.276 349 V C -1.745 174.339 176.094 -0.017 0.000 1.040 349 V CA -1.244 60.994 62.300 -0.104 0.000 1.008 349 V CB 0.688 32.426 31.823 -0.142 0.000 0.990 349 V HN 0.606 nan 8.190 nan 0.000 0.477 350 P HA 0.202 nan 4.420 nan 0.000 0.272 350 P C -0.228 177.239 177.300 0.280 0.000 1.240 350 P CA -0.201 62.965 63.100 0.111 0.000 0.791 350 P CB 0.507 32.284 31.700 0.128 0.000 0.978 351 D N -2.609 117.930 120.400 0.231 0.000 2.535 351 D HA 0.032 4.672 4.640 -0.001 0.000 0.229 351 D C 0.069 176.429 176.300 0.100 0.000 1.238 351 D CA -0.135 54.037 54.000 0.287 0.000 0.824 351 D CB -0.817 40.184 40.800 0.336 0.000 1.045 351 D HN 0.309 nan 8.370 nan 0.000 0.500 352 T N -2.954 111.640 114.554 0.067 0.000 2.824 352 T HA 0.567 4.916 4.350 -0.001 0.000 0.277 352 T C -2.588 172.092 174.700 -0.033 0.000 0.975 352 T CA -1.794 60.314 62.100 0.014 0.000 0.966 352 T CB 1.158 70.040 68.868 0.024 0.000 1.054 352 T HN -0.262 nan 8.240 nan 0.000 0.533 353 P HA 0.391 nan 4.420 nan 0.000 0.269 353 P C 1.049 178.301 177.300 -0.080 0.000 1.215 353 P CA 1.134 64.187 63.100 -0.078 0.000 0.780 353 P CB -0.055 31.616 31.700 -0.050 0.000 0.898 354 G N 1.141 109.863 108.800 -0.129 0.000 2.547 354 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.271 354 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.271 354 G C 0.752 175.502 174.900 -0.249 0.000 1.209 354 G CA 0.169 45.183 45.100 -0.143 0.000 0.959 354 G HN 0.480 nan 8.290 nan 0.000 0.563 355 L N 1.774 122.894 121.223 -0.171 0.000 2.465 355 L HA 0.316 4.656 4.340 -0.001 0.000 0.224 355 L C 2.607 179.562 176.870 0.141 0.000 1.145 355 L CA 1.455 56.205 54.840 -0.151 0.000 0.834 355 L CB -0.466 41.577 42.059 -0.026 0.000 0.944 355 L HN 2.024 nan 8.230 nan 0.000 0.451 356 G N -0.550 108.293 108.800 0.073 0.000 2.234 356 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.235 356 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.235 356 G C 0.142 175.079 174.900 0.063 0.000 0.997 356 G CA -0.042 45.120 45.100 0.103 0.000 0.623 356 G HN 0.093 nan 8.290 nan 0.000 0.514 357 V N 1.668 121.613 119.914 0.051 0.000 2.709 357 V HA 0.512 4.631 4.120 -0.001 0.000 0.308 357 V C -0.709 175.373 176.094 -0.019 0.000 1.062 357 V CA -1.246 61.065 62.300 0.019 0.000 0.901 357 V CB 1.932 33.775 31.823 0.033 0.000 1.003 357 V HN 0.223 nan 8.190 nan 0.000 0.425 358 D N 2.288 122.664 120.400 -0.040 0.000 2.414 358 D HA 0.222 4.862 4.640 -0.001 0.000 0.242 358 D C 0.009 176.203 176.300 -0.176 0.000 1.129 358 D CA 0.067 54.015 54.000 -0.087 0.000 0.885 358 D CB 1.776 42.539 40.800 -0.063 0.000 1.198 358 D HN 0.241 nan 8.370 nan 0.000 0.437 359 V N 2.486 122.189 119.914 -0.352 0.000 2.508 359 V HA -0.044 4.076 4.120 -0.001 0.000 0.281 359 V C 0.649 176.516 176.094 -0.378 0.000 1.041 359 V CA -0.252 61.739 62.300 -0.515 0.000 1.016 359 V CB 1.113 32.254 31.823 -1.137 0.000 0.984 359 V HN 0.426 nan 8.190 nan 0.000 0.478 360 D N 4.209 124.447 120.400 -0.270 0.000 2.402 360 D HA 0.088 4.727 4.640 -0.001 0.000 0.235 360 D C 1.224 177.389 176.300 -0.224 0.000 1.226 360 D CA -0.004 53.883 54.000 -0.188 0.000 0.918 360 D CB 0.755 41.483 40.800 -0.118 0.000 1.043 360 D HN 0.646 nan 8.370 nan 0.000 0.506 361 E N 1.936 122.013 120.200 -0.205 0.000 2.204 361 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 361 E C 0.732 177.249 176.600 -0.139 0.000 0.990 361 E CA 0.713 56.986 56.400 -0.212 0.000 0.821 361 E CB 0.331 30.001 29.700 -0.051 0.000 0.750 361 E HN 0.517 nan 8.360 nan 0.000 0.477 362 D N 0.730 121.075 120.400 -0.093 0.000 2.178 362 D HA -0.119 4.521 4.640 -0.001 0.000 0.201 362 D C 1.859 178.088 176.300 -0.118 0.000 0.980 362 D CA 1.164 55.117 54.000 -0.078 0.000 0.842 362 D CB -0.141 40.621 40.800 -0.063 0.000 0.948 362 D HN 0.174 nan 8.370 nan 0.000 0.472 363 A N 0.590 123.340 122.820 -0.116 0.000 1.929 363 A HA -0.049 4.271 4.320 -0.001 0.000 0.216 363 A C 2.360 179.916 177.584 -0.047 0.000 1.176 363 A CA 0.541 52.537 52.037 -0.067 0.000 0.628 363 A CB -0.610 18.413 19.000 0.039 0.000 0.816 363 A HN 0.172 nan 8.150 nan 0.000 0.444 364 L N -0.711 120.399 121.223 -0.188 0.000 2.042 364 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 364 L C 3.088 179.892 176.870 -0.111 0.000 1.076 364 L CA 1.277 55.917 54.840 -0.332 0.000 0.749 364 L CB -0.607 40.843 42.059 -1.015 0.000 0.893 364 L HN 0.451 nan 8.230 nan 0.000 0.432 365 A N -0.073 122.711 122.820 -0.060 0.000 1.898 365 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 365 A C 2.451 180.008 177.584 -0.046 0.000 1.181 365 A CA 1.507 53.577 52.037 0.054 0.000 0.620 365 A CB -0.537 18.498 19.000 0.059 0.000 0.819 365 A HN 0.343 nan 8.150 nan 0.000 0.442 366 R N -1.611 118.768 120.500 -0.202 0.000 2.081 366 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 366 R C 1.066 177.098 176.300 -0.448 0.000 1.131 366 R CA 1.784 57.637 56.100 -0.411 0.000 0.960 366 R CB -0.278 29.598 30.300 -0.706 0.000 0.856 366 R HN 0.455 nan 8.270 nan 0.000 0.436 367 F N 0.607 120.546 119.950 -0.018 0.000 2.727 367 F HA 0.366 4.893 4.527 -0.000 0.000 0.302 367 F C 0.939 176.747 175.800 0.014 0.000 1.097 367 F CA -0.201 57.789 58.000 -0.016 0.000 1.330 367 F CB -0.124 38.854 39.000 -0.037 0.000 1.084 367 F HN -0.001 nan 8.300 nan 0.000 0.578 368 A N 1.167 124.088 122.820 0.169 0.000 2.531 368 A HA 0.395 4.715 4.320 -0.001 0.000 0.236 368 A C 0.635 178.253 177.584 0.057 0.000 1.062 368 A CA -0.142 51.998 52.037 0.172 0.000 0.760 368 A CB -0.094 19.055 19.000 0.248 0.000 0.995 368 A HN 0.168 nan 8.150 nan 0.000 0.501 369 V N 0.000 119.890 119.914 -0.040 0.000 2.409 369 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 369 V CA 0.000 62.218 62.300 -0.137 0.000 1.235 369 V CB 0.000 31.592 31.823 -0.385 0.000 1.184 369 V HN 0.000 nan 8.190 nan 0.000 0.556