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 1ztb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRWITAGES HGRALVAVVE GMVAGVHVTS ADIADQLARR RLGYGRGAXX DATA SEQUENCE XXERDAVTVL SGIRHGSTLG GPIAIEIGNT EWPKWETVMA ADPVDPAELA DATA SEQUENCE DVARNAPLTR PRPGHADYAG MLKYGFDDAR PVLERASARE TAARVAAGTV DATA SEQUENCE ARAFLRQALG VEVLSHVISI GASAPYEGPP PRAEDLPAID ASPVRAYDKA DATA SEQUENCE AEADMIAQIE AAKKDGDTLG GVVEAVALGL PVGLGSFTSG DHRLDSQLAA DATA SEQUENCE AVMGIQAIKG VEIGDGFQTA RRRGSRAHDE MYPGPDGVVR STNRAGGLEG DATA SEQUENCE GMTNGQPLRV RAAMKPISTV PRALATVDLA TGDEAVAIHQ RSDVCAVPAA DATA SEQUENCE GVVVETMVAL VLARAALEKF GGDSLAETQR NIAAYQRSVA DR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.061 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.064 0.000 0.988 1 M CB 0.000 32.555 32.600 -0.075 0.000 1.302 2 L N 4.113 125.315 121.223 -0.036 0.000 2.559 2 L HA 0.409 4.750 4.340 0.001 0.000 0.282 2 L C -0.313 176.550 176.870 -0.012 0.000 1.232 2 L CA 1.464 56.320 54.840 0.026 0.000 0.885 2 L CB 0.225 42.346 42.059 0.104 0.000 1.131 2 L HN 0.835 nan 8.230 nan 0.000 0.498 3 R N 3.367 123.870 120.500 0.005 0.000 2.643 3 R HA 0.567 4.907 4.340 0.001 0.000 0.269 3 R C -2.055 174.247 176.300 0.004 0.000 1.037 3 R CA -0.720 55.221 56.100 -0.265 0.000 0.894 3 R CB 1.494 31.669 30.300 -0.208 0.000 1.238 3 R HN 0.749 nan 8.270 nan 0.000 0.459 4 W N 3.777 125.059 121.300 -0.029 0.000 3.097 4 W HA 0.644 5.304 4.660 0.000 0.000 0.335 4 W C -1.493 175.013 176.519 -0.023 0.000 1.114 4 W CA -0.964 56.365 57.345 -0.027 0.000 1.231 4 W CB 0.665 30.112 29.460 -0.023 0.000 1.388 4 W HN 0.460 nan 8.180 nan 0.000 0.485 5 I N 2.279 122.936 120.570 0.145 0.000 2.646 5 I HA 0.757 4.927 4.170 0.001 0.000 0.299 5 I C -0.828 175.344 176.117 0.093 0.000 1.036 5 I CA -0.482 60.864 61.300 0.078 0.000 1.074 5 I CB 2.574 40.574 38.000 -0.000 0.000 1.258 5 I HN 0.533 nan 8.210 nan 0.000 0.430 6 T N 5.499 120.095 114.554 0.071 0.000 2.856 6 T HA 0.867 5.217 4.350 0.001 0.000 0.283 6 T C -1.026 173.679 174.700 0.008 0.000 1.008 6 T CA -0.384 61.743 62.100 0.044 0.000 0.997 6 T CB 1.322 70.227 68.868 0.060 0.000 0.992 6 T HN 0.760 nan 8.240 nan 0.000 0.454 7 A N 1.747 124.559 122.820 -0.014 0.000 2.539 7 A HA 1.008 5.328 4.320 0.001 0.000 0.296 7 A C -0.150 177.400 177.584 -0.057 0.000 1.073 7 A CA -0.222 51.795 52.037 -0.034 0.000 0.700 7 A CB 1.633 20.612 19.000 -0.035 0.000 1.296 7 A HN 1.534 nan 8.150 nan 0.000 0.405 8 G N 0.510 109.266 108.800 -0.074 0.000 2.435 8 G HA2 0.445 4.406 3.960 0.001 0.000 0.603 8 G HA3 0.445 4.406 3.960 0.001 0.000 0.603 8 G C -1.485 173.345 174.900 -0.117 0.000 1.496 8 G CA -0.893 44.145 45.100 -0.103 0.000 0.896 8 G HN 0.790 nan 8.290 nan 0.000 0.657 9 E N 0.416 120.532 120.200 -0.141 0.000 2.242 9 E HA 0.598 4.949 4.350 0.001 0.000 0.275 9 E C 1.545 177.992 176.600 -0.255 0.000 1.002 9 E CA -0.039 56.255 56.400 -0.177 0.000 0.841 9 E CB 1.568 31.177 29.700 -0.151 0.000 1.109 9 E HN 0.691 nan 8.360 nan 0.000 0.394 10 S N 1.420 116.900 115.700 -0.368 0.000 2.419 10 S HA -0.186 4.284 4.470 0.001 0.000 0.233 10 S C 0.659 174.842 174.600 -0.694 0.000 1.016 10 S CA 1.176 59.076 58.200 -0.500 0.000 0.974 10 S CB -0.343 62.481 63.200 -0.627 0.000 0.786 10 S HN 0.591 nan 8.310 nan 0.000 0.492 11 H N 0.853 119.669 119.070 -0.424 0.000 2.486 11 H HA 0.525 5.082 4.556 0.001 0.000 0.284 11 H C 1.210 176.423 175.328 -0.191 0.000 1.103 11 H CA -0.181 55.493 56.048 -0.623 0.000 1.089 11 H CB 0.217 28.945 29.762 -1.724 0.000 1.603 11 H HN 0.477 nan 8.280 nan 0.000 0.557 12 G N -0.257 108.507 108.800 -0.060 0.000 2.543 12 G HA2 0.045 4.006 3.960 0.001 0.000 0.267 12 G HA3 0.045 4.006 3.960 0.001 0.000 0.267 12 G C 1.001 175.733 174.900 -0.280 0.000 1.406 12 G CA -0.454 44.630 45.100 -0.026 0.000 1.048 12 G HN 0.120 nan 8.290 nan 0.000 0.548 13 R N -0.666 119.333 120.500 -0.836 0.000 2.082 13 R HA 0.059 4.399 4.340 0.001 0.000 0.234 13 R C 0.996 176.915 176.300 -0.635 0.000 1.136 13 R CA 1.643 56.940 56.100 -1.339 0.000 0.935 13 R CB -1.032 28.701 30.300 -0.946 0.000 0.842 13 R HN 0.682 nan 8.270 nan 0.000 0.430 14 A N -1.349 121.246 122.820 -0.376 0.000 2.557 14 A HA 0.591 4.911 4.320 0.001 0.000 0.292 14 A C -1.367 176.118 177.584 -0.165 0.000 1.139 14 A CA -0.739 51.169 52.037 -0.215 0.000 0.665 14 A CB 0.708 19.601 19.000 -0.179 0.000 1.285 14 A HN 0.097 nan 8.150 nan 0.000 0.433 15 L N 0.377 121.531 121.223 -0.116 0.000 2.334 15 L HA 0.697 5.037 4.340 0.001 0.000 0.275 15 L C -0.746 176.079 176.870 -0.075 0.000 1.036 15 L CA -1.073 53.711 54.840 -0.092 0.000 0.807 15 L CB 1.635 43.650 42.059 -0.073 0.000 1.231 15 L HN 0.435 nan 8.230 nan 0.000 0.438 16 V N 1.123 121.001 119.914 -0.060 0.000 2.581 16 V HA 0.701 4.822 4.120 0.001 0.000 0.303 16 V C 0.100 176.183 176.094 -0.020 0.000 1.041 16 V CA -0.614 61.661 62.300 -0.041 0.000 0.907 16 V CB 1.712 33.511 31.823 -0.040 0.000 0.994 16 V HN 0.876 nan 8.190 nan 0.000 0.442 17 A N 3.891 126.706 122.820 -0.009 0.000 2.330 17 A HA 0.865 5.186 4.320 0.001 0.000 0.327 17 A C -0.835 176.762 177.584 0.022 0.000 1.155 17 A CA -0.527 51.519 52.037 0.015 0.000 0.803 17 A CB 1.421 20.430 19.000 0.015 0.000 1.208 17 A HN 0.683 nan 8.150 nan 0.000 0.477 18 V N 2.569 122.510 119.914 0.044 0.000 2.540 18 V HA 0.509 4.630 4.120 0.001 0.000 0.302 18 V C -0.554 175.587 176.094 0.079 0.000 1.035 18 V CA -0.526 61.798 62.300 0.040 0.000 0.873 18 V CB 1.683 33.519 31.823 0.021 0.000 0.992 18 V HN 0.632 nan 8.190 nan 0.000 0.428 19 V N 3.894 123.848 119.914 0.067 0.000 2.376 19 V HA 0.405 4.526 4.120 0.001 0.000 0.287 19 V C -0.049 176.076 176.094 0.053 0.000 1.015 19 V CA -0.507 61.853 62.300 0.101 0.000 0.834 19 V CB 1.616 33.494 31.823 0.091 0.000 1.001 19 V HN 0.913 nan 8.190 nan 0.000 0.428 20 E N 2.960 123.187 120.200 0.046 0.000 2.216 20 E HA 0.511 4.861 4.350 0.001 0.000 0.279 20 E C 0.983 177.582 176.600 -0.000 0.000 0.997 20 E CA 0.573 56.976 56.400 0.006 0.000 0.817 20 E CB 1.564 31.253 29.700 -0.018 0.000 1.096 20 E HN 0.999 nan 8.360 nan 0.000 0.393 21 G N 3.577 112.366 108.800 -0.018 0.000 2.136 21 G HA2 -0.280 3.680 3.960 0.001 0.000 0.242 21 G HA3 -0.280 3.680 3.960 0.001 0.000 0.242 21 G C 0.116 174.981 174.900 -0.059 0.000 0.989 21 G CA 0.492 45.571 45.100 -0.035 0.000 0.682 21 G HN 0.470 nan 8.290 nan 0.000 0.522 22 M N 1.769 121.337 119.600 -0.054 0.000 2.238 22 M HA 0.590 5.070 4.480 0.001 0.000 0.347 22 M C 1.019 177.285 176.300 -0.057 0.000 1.173 22 M CA -0.698 54.544 55.300 -0.097 0.000 1.147 22 M CB 1.182 33.749 32.600 -0.055 0.000 1.547 22 M HN 0.921 nan 8.290 nan 0.000 0.455 23 V N 2.895 122.775 119.914 -0.057 0.000 3.185 23 V HA 0.719 4.840 4.120 0.001 0.000 0.305 23 V C 0.521 176.642 176.094 0.044 0.000 1.090 23 V CA -0.802 61.508 62.300 0.016 0.000 1.107 23 V CB -0.417 31.452 31.823 0.077 0.000 1.061 23 V HN 1.098 nan 8.190 nan 0.000 0.480 24 A N 1.871 124.716 122.820 0.041 0.000 2.366 24 A HA 0.591 4.911 4.320 0.001 0.000 0.249 24 A C 1.481 179.103 177.584 0.062 0.000 1.084 24 A CA 0.321 52.381 52.037 0.039 0.000 0.794 24 A CB -0.284 18.732 19.000 0.027 0.000 1.034 24 A HN 2.787 nan 8.150 nan 0.000 0.491 25 G N -0.549 108.284 108.800 0.055 0.000 2.157 25 G HA2 -0.136 3.825 3.960 0.001 0.000 0.239 25 G HA3 -0.136 3.825 3.960 0.001 0.000 0.239 25 G C 0.120 175.074 174.900 0.089 0.000 0.982 25 G CA 0.071 45.212 45.100 0.067 0.000 0.650 25 G HN 1.332 nan 8.290 nan 0.000 0.527 26 V N 2.491 122.464 119.914 0.099 0.000 2.488 26 V HA 0.296 4.416 4.120 0.001 0.000 0.277 26 V C 0.929 177.080 176.094 0.095 0.000 1.046 26 V CA -0.836 61.538 62.300 0.124 0.000 0.986 26 V CB 1.347 33.276 31.823 0.176 0.000 0.989 26 V HN 0.389 nan 8.190 nan 0.000 0.475 27 H N 4.925 124.021 119.070 0.043 0.000 2.878 27 H HA 0.464 5.021 4.556 0.001 0.000 0.290 27 H C -0.970 174.379 175.328 0.034 0.000 1.065 27 H CA 0.173 56.241 56.048 0.034 0.000 1.477 27 H CB 0.967 30.742 29.762 0.022 0.000 1.484 27 H HN 0.437 nan 8.280 nan 0.000 0.504 28 V N 4.280 124.082 119.914 -0.186 0.000 2.969 28 V HA 0.282 4.402 4.120 0.001 0.000 0.304 28 V C -0.112 175.896 176.094 -0.143 0.000 1.192 28 V CA -0.868 61.395 62.300 -0.062 0.000 0.962 28 V CB 2.023 33.827 31.823 -0.032 0.000 1.045 28 V HN 0.927 nan 8.190 nan 0.000 0.428 29 T N -1.053 113.472 114.554 -0.048 0.000 2.883 29 T HA 0.452 4.802 4.350 0.001 0.000 0.296 29 T C 0.925 175.622 174.700 -0.006 0.000 1.117 29 T CA 0.074 62.152 62.100 -0.036 0.000 1.006 29 T CB 1.815 70.692 68.868 0.015 0.000 1.191 29 T HN 0.435 nan 8.240 nan 0.000 0.508 30 S N 0.582 116.281 115.700 -0.003 0.000 2.392 30 S HA -0.160 4.310 4.470 0.001 0.000 0.232 30 S C 2.327 176.933 174.600 0.010 0.000 1.041 30 S CA 1.614 59.816 58.200 0.003 0.000 1.026 30 S CB -0.911 62.293 63.200 0.007 0.000 0.845 30 S HN 0.940 nan 8.310 nan 0.000 0.465 31 A N 1.801 124.633 122.820 0.019 0.000 1.898 31 A HA -0.077 4.244 4.320 0.001 0.000 0.214 31 A C 1.812 179.411 177.584 0.024 0.000 1.183 31 A CA 1.291 53.342 52.037 0.023 0.000 0.622 31 A CB -0.632 18.387 19.000 0.031 0.000 0.824 31 A HN 0.326 nan 8.150 nan 0.000 0.444 32 D N 0.423 120.842 120.400 0.031 0.000 2.154 32 D HA -0.206 4.434 4.640 0.001 0.000 0.190 32 D C 1.767 178.077 176.300 0.016 0.000 1.003 32 D CA 1.664 55.682 54.000 0.030 0.000 0.849 32 D CB -0.391 40.433 40.800 0.041 0.000 0.942 32 D HN 0.527 nan 8.370 nan 0.000 0.446 33 I N 0.928 121.503 120.570 0.010 0.000 2.202 33 I HA -0.227 3.943 4.170 0.001 0.000 0.242 33 I C 2.510 178.629 176.117 0.003 0.000 1.091 33 I CA 1.039 62.340 61.300 0.002 0.000 1.368 33 I CB -0.204 37.794 38.000 -0.003 0.000 1.058 33 I HN -0.074 nan 8.210 nan 0.000 0.410 34 A N 0.459 123.283 122.820 0.006 0.000 1.940 34 A HA -0.265 4.056 4.320 0.001 0.000 0.219 34 A C 1.933 179.522 177.584 0.009 0.000 1.176 34 A CA 2.158 54.200 52.037 0.008 0.000 0.631 34 A CB -0.657 18.349 19.000 0.011 0.000 0.814 34 A HN 0.352 nan 8.150 nan 0.000 0.446 35 D N -0.362 120.045 120.400 0.011 0.000 2.116 35 D HA -0.159 4.481 4.640 0.001 0.000 0.193 35 D C 2.203 178.508 176.300 0.008 0.000 0.998 35 D CA 1.484 55.490 54.000 0.011 0.000 0.836 35 D CB -0.275 40.533 40.800 0.014 0.000 0.951 35 D HN 0.417 nan 8.370 nan 0.000 0.449 36 Q N -0.244 119.558 119.800 0.004 0.000 2.079 36 Q HA -0.068 4.273 4.340 0.001 0.000 0.200 36 Q C 2.342 178.340 176.000 -0.003 0.000 0.974 36 Q CA 0.385 56.187 55.803 -0.002 0.000 0.840 36 Q CB -0.452 28.281 28.738 -0.008 0.000 0.898 36 Q HN 0.258 nan 8.270 nan 0.000 0.430 37 L N 0.712 121.933 121.223 -0.003 0.000 2.079 37 L HA -0.158 4.182 4.340 0.001 0.000 0.210 37 L C 2.273 179.145 176.870 0.004 0.000 1.081 37 L CA 1.924 56.763 54.840 -0.002 0.000 0.752 37 L CB -1.398 40.660 42.059 -0.002 0.000 0.896 37 L HN 0.146 nan 8.230 nan 0.000 0.433 38 A N -0.659 122.166 122.820 0.008 0.000 1.873 38 A HA -0.189 4.132 4.320 0.001 0.000 0.215 38 A C 2.375 179.967 177.584 0.013 0.000 1.186 38 A CA 1.318 53.363 52.037 0.012 0.000 0.616 38 A CB -0.417 18.591 19.000 0.014 0.000 0.823 38 A HN 0.386 nan 8.150 nan 0.000 0.442 39 R N -0.786 119.720 120.500 0.011 0.000 2.159 39 R HA -0.108 4.233 4.340 0.001 0.000 0.237 39 R C 2.340 178.646 176.300 0.011 0.000 1.131 39 R CA 1.312 57.419 56.100 0.012 0.000 0.982 39 R CB -0.330 29.976 30.300 0.009 0.000 0.868 39 R HN 0.508 nan 8.270 nan 0.000 0.453 40 R N 1.140 121.643 120.500 0.005 0.000 2.152 40 R HA -0.066 4.274 4.340 0.001 0.000 0.232 40 R C 1.613 177.918 176.300 0.008 0.000 1.117 40 R CA 1.208 57.309 56.100 0.003 0.000 0.981 40 R CB 0.094 30.391 30.300 -0.004 0.000 0.870 40 R HN 0.148 nan 8.270 nan 0.000 0.451 41 R N -0.121 120.387 120.500 0.013 0.000 2.310 41 R HA 0.087 4.428 4.340 0.001 0.000 0.202 41 R C -0.166 176.149 176.300 0.025 0.000 0.933 41 R CA -0.290 55.821 56.100 0.018 0.000 1.054 41 R CB 0.204 30.517 30.300 0.021 0.000 0.985 41 R HN 0.004 nan 8.270 nan 0.000 0.489 42 L N 0.728 121.966 121.223 0.026 0.000 2.485 42 L HA 0.190 4.531 4.340 0.001 0.000 0.275 42 L C 0.824 177.718 176.870 0.040 0.000 1.207 42 L CA 1.003 55.865 54.840 0.036 0.000 0.855 42 L CB 0.502 42.582 42.059 0.035 0.000 1.114 42 L HN 0.404 nan 8.230 nan 0.000 0.485 43 G N 2.946 111.783 108.800 0.062 0.000 3.313 43 G HA2 -0.072 3.889 3.960 0.001 0.000 0.659 43 G HA3 -0.072 3.889 3.960 0.001 0.000 0.659 43 G C -1.091 173.864 174.900 0.091 0.000 1.286 43 G CA -0.640 44.508 45.100 0.079 0.000 1.077 43 G HN 0.780 nan 8.290 nan 0.000 0.551 44 Y N 2.311 122.620 120.300 0.014 0.000 2.425 44 Y HA 0.473 5.023 4.550 0.001 0.000 0.331 44 Y C 1.281 177.189 175.900 0.014 0.000 1.157 44 Y CA 0.624 58.732 58.100 0.014 0.000 1.372 44 Y CB 1.563 40.030 38.460 0.012 0.000 1.253 44 Y HN 2.196 nan 8.280 nan 0.000 0.536 45 G N 3.879 112.366 108.800 -0.522 0.000 2.229 45 G HA2 -0.208 3.752 3.960 0.001 0.000 0.189 45 G HA3 -0.208 3.752 3.960 0.001 0.000 0.189 45 G C 0.006 174.778 174.900 -0.214 0.000 1.000 45 G CA -0.236 44.545 45.100 -0.532 0.000 0.663 45 G HN 0.917 nan 8.290 nan 0.000 0.493 46 R N 1.492 121.921 120.500 -0.118 0.000 2.649 46 R HA 0.668 5.009 4.340 0.001 0.000 0.270 46 R C 1.316 177.608 176.300 -0.013 0.000 1.105 46 R CA 0.100 56.174 56.100 -0.043 0.000 1.193 46 R CB 0.026 30.318 30.300 -0.014 0.000 1.120 46 R HN 0.483 nan 8.270 nan 0.000 0.561 47 G N -1.203 107.603 108.800 0.010 0.000 2.662 47 G HA2 0.386 4.346 3.960 0.001 0.000 0.212 47 G HA3 0.386 4.346 3.960 0.001 0.000 0.212 47 G C 0.016 174.943 174.900 0.046 0.000 1.141 47 G CA 0.584 45.703 45.100 0.032 0.000 0.797 47 G HN 0.980 nan 8.290 nan 0.000 0.531 54 R N 2.721 123.248 120.500 0.045 0.000 2.531 54 R HA 0.296 4.636 4.340 0.001 0.000 0.316 54 R C -0.675 175.641 176.300 0.028 0.000 0.955 54 R CA 0.122 56.244 56.100 0.036 0.000 1.120 54 R CB 0.213 30.536 30.300 0.038 0.000 1.361 54 R HN 0.409 nan 8.270 nan 0.000 0.534 55 D N 1.684 122.099 120.400 0.025 0.000 2.735 55 D HA -0.174 4.466 4.640 0.001 0.000 0.235 55 D C -0.545 175.761 176.300 0.010 0.000 1.175 55 D CA 1.346 55.353 54.000 0.012 0.000 0.683 55 D CB -0.951 39.853 40.800 0.007 0.000 1.008 55 D HN 0.573 nan 8.370 nan 0.000 0.416 56 A N 0.572 123.400 122.820 0.014 0.000 2.505 56 A HA 0.338 4.659 4.320 0.001 0.000 0.271 56 A C 0.808 178.393 177.584 0.001 0.000 1.112 56 A CA -0.050 51.994 52.037 0.012 0.000 0.781 56 A CB 0.575 19.587 19.000 0.019 0.000 1.059 56 A HN 0.523 nan 8.150 nan 0.000 0.508 57 V N 3.576 123.490 119.914 0.001 0.000 2.432 57 V HA 0.669 4.789 4.120 0.001 0.000 0.275 57 V C 0.008 176.099 176.094 -0.005 0.000 1.043 57 V CA 0.153 62.451 62.300 -0.005 0.000 0.925 57 V CB 1.124 32.944 31.823 -0.004 0.000 0.985 57 V HN 0.763 nan 8.190 nan 0.000 0.466 58 T N 6.187 120.734 114.554 -0.011 0.000 2.815 58 T HA 0.427 4.777 4.350 0.001 0.000 0.289 58 T C -0.308 174.384 174.700 -0.015 0.000 1.000 58 T CA -0.351 61.743 62.100 -0.011 0.000 0.958 58 T CB 1.219 70.078 68.868 -0.014 0.000 0.944 58 T HN 0.676 nan 8.240 nan 0.000 0.442 59 V N 5.202 125.108 119.914 -0.013 0.000 2.479 59 V HA 0.057 4.177 4.120 0.001 0.000 0.281 59 V C 0.857 176.940 176.094 -0.019 0.000 1.031 59 V CA -0.131 62.159 62.300 -0.017 0.000 1.038 59 V CB 0.489 32.301 31.823 -0.019 0.000 0.981 59 V HN 0.722 nan 8.190 nan 0.000 0.478 60 L N 4.350 125.561 121.223 -0.021 0.000 2.249 60 L HA 0.192 4.532 4.340 0.001 0.000 0.207 60 L C 1.087 177.943 176.870 -0.024 0.000 1.090 60 L CA 1.166 55.993 54.840 -0.022 0.000 0.802 60 L CB -0.120 41.925 42.059 -0.023 0.000 0.947 60 L HN 0.925 nan 8.230 nan 0.000 0.453 61 S N -3.643 112.043 115.700 -0.024 0.000 2.596 61 S HA 0.624 5.094 4.470 0.001 0.000 0.270 61 S C 0.543 175.127 174.600 -0.028 0.000 1.155 61 S CA -0.181 58.003 58.200 -0.027 0.000 0.827 61 S CB 1.502 64.688 63.200 -0.023 0.000 1.130 61 S HN 0.419 nan 8.310 nan 0.000 0.467 62 G N 0.153 108.934 108.800 -0.032 0.000 2.199 62 G HA2 -0.190 3.770 3.960 0.001 0.000 0.254 62 G HA3 -0.190 3.770 3.960 0.001 0.000 0.254 62 G C -0.148 174.730 174.900 -0.035 0.000 0.982 62 G CA 0.369 45.452 45.100 -0.029 0.000 0.632 62 G HN 1.073 nan 8.290 nan 0.000 0.529 63 I N -0.102 120.440 120.570 -0.047 0.000 2.545 63 I HA 0.644 4.814 4.170 0.001 0.000 0.292 63 I C 0.056 176.122 176.117 -0.085 0.000 1.040 63 I CA -1.056 60.208 61.300 -0.060 0.000 1.068 63 I CB 2.286 40.252 38.000 -0.057 0.000 1.251 63 I HN 0.166 nan 8.210 nan 0.000 0.424 64 R N 4.746 125.180 120.500 -0.110 0.000 2.515 64 R HA 0.408 4.748 4.340 0.001 0.000 0.291 64 R C -0.655 175.549 176.300 -0.160 0.000 1.046 64 R CA -0.446 55.533 56.100 -0.201 0.000 0.914 64 R CB 0.625 30.766 30.300 -0.264 0.000 1.191 64 R HN 0.852 nan 8.270 nan 0.000 0.435 65 H N 2.795 121.845 119.070 -0.034 0.000 2.820 65 H HA -0.201 4.355 4.556 0.000 0.000 0.295 65 H C 0.812 176.094 175.328 -0.077 0.000 1.187 65 H CA 0.797 56.829 56.048 -0.027 0.000 1.144 65 H CB -0.881 28.881 29.762 0.001 0.000 1.354 65 H HN 1.158 nan 8.280 nan 0.000 0.395 66 G N -0.342 108.421 108.800 -0.061 0.000 2.136 66 G HA2 -0.296 3.664 3.960 0.001 0.000 0.242 66 G HA3 -0.296 3.664 3.960 0.001 0.000 0.242 66 G C 0.057 174.681 174.900 -0.460 0.000 0.989 66 G CA 0.436 45.333 45.100 -0.338 0.000 0.682 66 G HN 0.678 nan 8.290 nan 0.000 0.522 67 S N 0.324 115.921 115.700 -0.172 0.000 2.594 67 S HA 0.686 5.156 4.470 0.001 0.000 0.296 67 S C 0.456 175.025 174.600 -0.052 0.000 1.124 67 S CA 0.399 58.547 58.200 -0.086 0.000 1.011 67 S CB 1.085 64.290 63.200 0.009 0.000 1.016 67 S HN 1.230 nan 8.310 nan 0.000 0.485 68 T N 2.977 117.517 114.554 -0.024 0.000 2.940 68 T HA 0.253 4.604 4.350 0.001 0.000 0.309 68 T C 1.150 175.846 174.700 -0.007 0.000 1.056 68 T CA -0.333 61.761 62.100 -0.011 0.000 1.137 68 T CB 0.259 69.137 68.868 0.017 0.000 0.976 68 T HN 0.571 nan 8.240 nan 0.000 0.547 69 L N 2.075 123.288 121.223 -0.017 0.000 2.585 69 L HA 0.323 4.663 4.340 0.001 0.000 0.226 69 L C 2.264 179.129 176.870 -0.008 0.000 1.113 69 L CA 0.543 55.373 54.840 -0.018 0.000 0.876 69 L CB -0.469 41.571 42.059 -0.032 0.000 1.072 69 L HN 1.191 nan 8.230 nan 0.000 0.468 70 G N -0.397 108.401 108.800 -0.004 0.000 2.317 70 G HA2 -0.252 3.708 3.960 0.001 0.000 0.227 70 G HA3 -0.252 3.708 3.960 0.001 0.000 0.227 70 G C 0.693 175.587 174.900 -0.010 0.000 1.042 70 G CA -0.134 44.963 45.100 -0.004 0.000 0.623 70 G HN 0.492 nan 8.290 nan 0.000 0.509 71 G N 0.805 109.598 108.800 -0.013 0.000 2.563 71 G HA2 0.606 4.566 3.960 0.001 0.000 0.283 71 G HA3 0.606 4.566 3.960 0.001 0.000 0.283 71 G C -2.302 172.590 174.900 -0.013 0.000 1.309 71 G CA -0.520 44.571 45.100 -0.014 0.000 1.022 71 G HN 0.309 nan 8.290 nan 0.000 0.501 72 P HA 0.187 nan 4.420 nan 0.000 0.268 72 P C -0.513 176.782 177.300 -0.008 0.000 1.204 72 P CA 0.207 63.302 63.100 -0.008 0.000 0.768 72 P CB 0.659 32.354 31.700 -0.010 0.000 0.842 73 I N 2.366 122.935 120.570 -0.001 0.000 2.312 73 I HA 0.478 4.648 4.170 0.001 0.000 0.290 73 I C 0.287 176.404 176.117 -0.000 0.000 1.008 73 I CA -0.447 60.851 61.300 -0.004 0.000 1.226 73 I CB 1.198 39.198 38.000 0.000 0.000 1.371 73 I HN 0.287 nan 8.210 nan 0.000 0.468 74 A N 8.137 130.952 122.820 -0.008 0.000 2.318 74 A HA 0.861 5.181 4.320 0.001 0.000 0.324 74 A C -0.646 176.929 177.584 -0.014 0.000 1.170 74 A CA -0.453 51.579 52.037 -0.009 0.000 0.810 74 A CB 0.755 19.746 19.000 -0.015 0.000 1.198 74 A HN 0.676 nan 8.150 nan 0.000 0.484 75 I N 1.710 122.272 120.570 -0.013 0.000 2.466 75 I HA 0.342 4.512 4.170 0.001 0.000 0.289 75 I C -0.174 175.928 176.117 -0.024 0.000 1.026 75 I CA -0.303 60.987 61.300 -0.017 0.000 1.078 75 I CB 2.111 40.103 38.000 -0.013 0.000 1.249 75 I HN 0.868 nan 8.210 nan 0.000 0.429 76 E N 7.952 128.135 120.200 -0.029 0.000 2.166 76 E HA 0.557 4.907 4.350 0.001 0.000 0.275 76 E C -1.386 175.191 176.600 -0.038 0.000 0.941 76 E CA -0.739 55.636 56.400 -0.041 0.000 0.784 76 E CB 2.428 32.099 29.700 -0.048 0.000 1.115 76 E HN 0.658 nan 8.360 nan 0.000 0.399 77 I N 2.902 123.444 120.570 -0.046 0.000 2.418 77 I HA 0.580 4.750 4.170 0.001 0.000 0.287 77 I C 0.040 176.127 176.117 -0.050 0.000 1.008 77 I CA -0.575 60.702 61.300 -0.039 0.000 1.104 77 I CB 1.150 39.132 38.000 -0.029 0.000 1.264 77 I HN 0.681 nan 8.210 nan 0.000 0.438 78 G N 4.962 113.742 108.800 -0.034 0.000 2.544 78 G HA2 0.145 4.105 3.960 0.001 0.000 0.242 78 G HA3 0.145 4.105 3.960 0.001 0.000 0.242 78 G C -0.696 174.198 174.900 -0.009 0.000 1.247 78 G CA -0.537 44.545 45.100 -0.031 0.000 0.840 78 G HN 0.861 nan 8.290 nan 0.000 0.578 79 N N 0.545 119.249 118.700 0.006 0.000 2.446 79 N HA 0.238 4.978 4.740 0.001 0.000 0.265 79 N C 0.987 176.587 175.510 0.151 0.000 0.975 79 N CA -0.443 52.641 53.050 0.056 0.000 0.928 79 N CB 1.652 40.160 38.487 0.036 0.000 1.160 79 N HN 0.405 nan 8.380 nan 0.000 0.495 80 T N 1.346 115.984 114.554 0.139 0.000 2.821 80 T HA -0.151 4.199 4.350 0.001 0.000 0.267 80 T C 0.625 175.448 174.700 0.205 0.000 1.046 80 T CA 1.276 63.464 62.100 0.147 0.000 1.139 80 T CB -0.042 68.891 68.868 0.110 0.000 0.871 80 T HN 0.660 nan 8.240 nan 0.000 0.454 81 E N 0.957 121.311 120.200 0.256 0.000 2.698 81 E HA 0.117 4.467 4.350 0.001 0.000 0.242 81 E C 1.115 177.979 176.600 0.441 0.000 1.243 81 E CA -0.578 55.992 56.400 0.283 0.000 1.483 81 E CB -0.497 29.346 29.700 0.238 0.000 1.495 81 E HN 0.648 nan 8.360 nan 0.000 0.440 82 W N 1.945 123.375 121.300 0.216 0.000 2.576 82 W HA 0.139 4.800 4.660 0.001 0.000 0.275 82 W C -1.496 175.144 176.519 0.202 0.000 1.241 82 W CA 0.031 57.525 57.345 0.248 0.000 1.328 82 W CB -0.724 28.819 29.460 0.138 0.000 1.092 82 W HN 0.237 nan 8.180 nan 0.000 0.586 83 P HA -0.197 nan 4.420 nan 0.000 0.217 83 P C 1.274 178.385 177.300 -0.315 0.000 1.148 83 P CA 2.365 65.275 63.100 -0.316 0.000 0.828 83 P CB -0.335 31.295 31.700 -0.116 0.000 0.783 84 K N -2.281 118.001 120.400 -0.197 0.000 2.280 84 K HA -0.132 4.188 4.320 0.001 0.000 0.202 84 K C 1.150 177.417 176.600 -0.554 0.000 1.047 84 K CA 1.267 57.321 56.287 -0.389 0.000 0.942 84 K CB -0.303 31.915 32.500 -0.471 0.000 0.739 84 K HN 0.315 nan 8.250 nan 0.000 0.457 85 W N 0.240 121.351 121.300 -0.314 0.000 2.870 85 W HA 0.192 4.853 4.660 0.001 0.000 0.358 85 W C 1.182 177.366 176.519 -0.558 0.000 1.043 85 W CA -0.599 56.593 57.345 -0.255 0.000 1.692 85 W CB 0.363 29.845 29.460 0.036 0.000 1.100 85 W HN 0.012 nan 8.180 nan 0.000 0.557 86 E N 0.194 119.823 120.200 -0.951 0.000 2.253 86 E HA -0.219 4.131 4.350 0.001 0.000 0.202 86 E C 1.363 177.739 176.600 -0.374 0.000 1.014 86 E CA 1.857 57.555 56.400 -1.171 0.000 0.823 86 E CB 0.206 29.373 29.700 -0.888 0.000 0.736 86 E HN 0.200 nan 8.360 nan 0.000 0.478 87 T N -0.852 113.567 114.554 -0.224 0.000 3.053 87 T HA -0.014 4.336 4.350 0.001 0.000 0.236 87 T C 1.947 176.649 174.700 0.004 0.000 0.996 87 T CA 0.516 62.563 62.100 -0.088 0.000 1.185 87 T CB -0.077 68.728 68.868 -0.104 0.000 0.892 87 T HN -0.048 nan 8.240 nan 0.000 0.432 88 V N 2.047 121.971 119.914 0.017 0.000 2.370 88 V HA -0.116 4.004 4.120 0.001 0.000 0.252 88 V C 1.732 177.950 176.094 0.207 0.000 1.068 88 V CA 1.372 63.746 62.300 0.122 0.000 1.061 88 V CB -0.483 31.446 31.823 0.177 0.000 0.656 88 V HN 0.468 nan 8.190 nan 0.000 0.455 89 M N -0.523 119.251 119.600 0.291 0.000 2.778 89 M HA 0.423 4.903 4.480 0.001 0.000 0.359 89 M C 0.447 176.985 176.300 0.395 0.000 1.216 89 M CA -0.557 54.941 55.300 0.330 0.000 0.935 89 M CB -0.153 32.697 32.600 0.417 0.000 1.330 89 M HN 0.271 nan 8.290 nan 0.000 0.516 90 A N 0.368 123.352 122.820 0.274 0.000 2.498 90 A HA 0.532 4.852 4.320 0.001 0.000 0.239 90 A C 1.384 179.089 177.584 0.201 0.000 1.068 90 A CA 0.663 52.869 52.037 0.282 0.000 0.766 90 A CB 0.416 19.507 19.000 0.152 0.000 1.003 90 A HN 0.595 nan 8.150 nan 0.000 0.497 91 A N 1.627 124.561 122.820 0.189 0.000 1.970 91 A HA 0.103 4.423 4.320 0.001 0.000 0.216 91 A C 0.750 178.385 177.584 0.085 0.000 1.170 91 A CA 1.036 53.136 52.037 0.106 0.000 0.645 91 A CB -0.174 18.873 19.000 0.078 0.000 0.816 91 A HN 0.790 nan 8.150 nan 0.000 0.447 92 D N -0.237 120.218 120.400 0.092 0.000 2.277 92 D HA 0.472 5.112 4.640 0.001 0.000 0.250 92 D C -2.528 173.807 176.300 0.059 0.000 1.032 92 D CA -1.526 52.514 54.000 0.067 0.000 0.947 92 D CB 0.337 41.175 40.800 0.062 0.000 1.159 92 D HN -0.028 nan 8.370 nan 0.000 0.460 93 P HA 0.078 nan 4.420 nan 0.000 0.267 93 P C -0.771 176.551 177.300 0.036 0.000 1.200 93 P CA -0.051 63.073 63.100 0.040 0.000 0.772 93 P CB 0.649 32.369 31.700 0.033 0.000 0.855 94 V N 2.183 122.116 119.914 0.031 0.000 2.789 94 V HA 0.175 4.296 4.120 0.001 0.000 0.311 94 V C -0.262 175.841 176.094 0.015 0.000 1.073 94 V CA -0.768 61.545 62.300 0.022 0.000 0.921 94 V CB 2.043 33.878 31.823 0.020 0.000 1.009 94 V HN 0.549 nan 8.190 nan 0.000 0.426 95 D N 6.043 126.448 120.400 0.009 0.000 2.520 95 D HA 0.038 4.678 4.640 0.001 0.000 0.243 95 D C -1.638 174.665 176.300 0.005 0.000 1.160 95 D CA -1.066 52.938 54.000 0.006 0.000 0.877 95 D CB 1.725 42.526 40.800 0.001 0.000 1.150 95 D HN 0.213 nan 8.370 nan 0.000 0.494 96 P HA -0.045 nan 4.420 nan 0.000 0.225 96 P C 0.588 177.889 177.300 0.002 0.000 1.148 96 P CA 1.107 64.211 63.100 0.008 0.000 0.779 96 P CB 0.257 31.964 31.700 0.012 0.000 0.780 97 A N 0.076 122.895 122.820 -0.001 0.000 1.911 97 A HA -0.106 4.214 4.320 0.001 0.000 0.212 97 A C 2.256 179.833 177.584 -0.011 0.000 1.189 97 A CA 0.958 52.992 52.037 -0.005 0.000 0.639 97 A CB -0.910 18.087 19.000 -0.004 0.000 0.839 97 A HN 0.160 nan 8.150 nan 0.000 0.449 98 E N 0.060 120.253 120.200 -0.012 0.000 2.285 98 E HA -0.049 4.302 4.350 0.001 0.000 0.194 98 E C 1.765 178.350 176.600 -0.026 0.000 0.997 98 E CA 0.349 56.737 56.400 -0.021 0.000 0.845 98 E CB -0.124 29.563 29.700 -0.021 0.000 0.782 98 E HN 0.585 nan 8.360 nan 0.000 0.491 99 L N 0.583 121.796 121.223 -0.018 0.000 2.056 99 L HA -0.112 4.229 4.340 0.001 0.000 0.207 99 L C 2.628 179.486 176.870 -0.021 0.000 1.078 99 L CA 1.119 55.947 54.840 -0.018 0.000 0.749 99 L CB -0.436 41.620 42.059 -0.004 0.000 0.901 99 L HN 0.199 nan 8.230 nan 0.000 0.433 100 A N -0.697 122.114 122.820 -0.015 0.000 1.978 100 A HA -0.234 4.087 4.320 0.001 0.000 0.220 100 A C 1.550 179.119 177.584 -0.024 0.000 1.170 100 A CA 1.783 53.811 52.037 -0.015 0.000 0.636 100 A CB -0.432 18.562 19.000 -0.010 0.000 0.810 100 A HN 0.383 nan 8.150 nan 0.000 0.448 101 D N -0.445 119.938 120.400 -0.030 0.000 2.323 101 D HA 0.161 4.801 4.640 0.001 0.000 0.239 101 D C -0.404 175.865 176.300 -0.051 0.000 1.129 101 D CA 0.370 54.347 54.000 -0.037 0.000 0.865 101 D CB 0.180 40.959 40.800 -0.035 0.000 0.913 101 D HN 0.134 nan 8.370 nan 0.000 0.517 102 V N 1.159 121.039 119.914 -0.056 0.000 2.350 102 V HA 0.333 4.453 4.120 0.001 0.000 0.285 102 V C 1.254 177.298 176.094 -0.083 0.000 1.014 102 V CA -0.620 61.631 62.300 -0.080 0.000 0.831 102 V CB 1.327 33.095 31.823 -0.092 0.000 1.000 102 V HN 0.018 nan 8.190 nan 0.000 0.433 103 A N 5.058 127.821 122.820 -0.094 0.000 1.865 103 A HA -0.186 4.134 4.320 0.001 0.000 0.217 103 A C 2.194 179.717 177.584 -0.101 0.000 1.191 103 A CA 2.097 54.083 52.037 -0.086 0.000 0.623 103 A CB -0.441 18.504 19.000 -0.092 0.000 0.826 103 A HN 0.807 nan 8.150 nan 0.000 0.444 104 R N -0.117 120.287 120.500 -0.160 0.000 2.117 104 R HA -0.172 4.169 4.340 0.001 0.000 0.243 104 R C 1.813 178.050 176.300 -0.105 0.000 1.143 104 R CA 1.683 57.654 56.100 -0.215 0.000 0.968 104 R CB -0.446 29.598 30.300 -0.426 0.000 0.863 104 R HN 0.704 nan 8.270 nan 0.000 0.444 105 N N 0.301 118.957 118.700 -0.073 0.000 2.575 105 N HA -0.030 4.710 4.740 0.001 0.000 0.192 105 N C -0.390 175.118 175.510 -0.004 0.000 1.200 105 N CA 0.026 53.069 53.050 -0.012 0.000 0.897 105 N CB 0.128 38.606 38.487 -0.015 0.000 0.990 105 N HN 0.216 nan 8.380 nan 0.000 0.449 106 A N 1.967 124.777 122.820 -0.017 0.000 2.507 106 A HA 0.202 4.522 4.320 0.001 0.000 0.235 106 A C -1.991 175.597 177.584 0.006 0.000 1.070 106 A CA -0.771 51.261 52.037 -0.009 0.000 0.768 106 A CB -0.016 18.974 19.000 -0.018 0.000 1.011 106 A HN 0.224 nan 8.150 nan 0.000 0.502 107 P HA 0.436 nan 4.420 nan 0.000 0.276 107 P C -1.059 176.251 177.300 0.017 0.000 1.252 107 P CA -0.317 62.793 63.100 0.017 0.000 0.802 107 P CB 0.704 32.418 31.700 0.023 0.000 1.035 108 L N 1.493 122.728 121.223 0.019 0.000 2.318 108 L HA 0.343 4.684 4.340 0.001 0.000 0.277 108 L C 0.833 177.723 176.870 0.034 0.000 1.008 108 L CA 0.003 54.855 54.840 0.019 0.000 0.846 108 L CB 1.366 43.432 42.059 0.011 0.000 1.220 108 L HN 0.526 nan 8.230 nan 0.000 0.423 109 T N -1.740 112.837 114.554 0.039 0.000 3.087 109 T HA 0.241 4.591 4.350 0.001 0.000 0.283 109 T C 0.621 175.358 174.700 0.062 0.000 0.956 109 T CA -0.444 61.690 62.100 0.057 0.000 0.894 109 T CB 0.099 68.998 68.868 0.052 0.000 1.160 109 T HN 0.304 nan 8.240 nan 0.000 0.532 110 R N 3.331 123.861 120.500 0.049 0.000 2.369 110 R HA 0.394 4.734 4.340 0.001 0.000 0.310 110 R C -2.731 173.604 176.300 0.059 0.000 1.141 110 R CA -1.973 54.156 56.100 0.047 0.000 1.116 110 R CB 0.592 30.910 30.300 0.030 0.000 1.135 110 R HN 0.297 nan 8.270 nan 0.000 0.529 111 P HA -0.035 nan 4.420 nan 0.000 0.265 111 P C -0.711 176.638 177.300 0.083 0.000 1.193 111 P CA 0.043 63.212 63.100 0.115 0.000 0.765 111 P CB 0.699 32.523 31.700 0.208 0.000 0.823 112 R N 4.393 124.943 120.500 0.084 0.000 2.370 112 R HA 0.236 4.576 4.340 0.001 0.000 0.309 112 R C -2.027 174.367 176.300 0.157 0.000 1.059 112 R CA -1.622 54.538 56.100 0.099 0.000 0.981 112 R CB -0.701 29.633 30.300 0.056 0.000 0.972 112 R HN 0.384 nan 8.270 nan 0.000 0.437 113 P HA -0.106 nan 4.420 nan 0.000 0.263 113 P C 0.709 178.087 177.300 0.130 0.000 1.175 113 P CA 1.164 64.317 63.100 0.089 0.000 0.761 113 P CB 0.622 32.350 31.700 0.047 0.000 0.794 114 G N 0.591 109.438 108.800 0.078 0.000 2.194 114 G HA2 -0.171 3.789 3.960 0.001 0.000 0.236 114 G HA3 -0.171 3.789 3.960 0.001 0.000 0.236 114 G C 0.201 175.020 174.900 -0.135 0.000 0.987 114 G CA -0.339 44.751 45.100 -0.016 0.000 0.635 114 G HN 0.643 nan 8.290 nan 0.000 0.520 115 H N -1.073 118.034 119.070 0.060 0.000 2.812 115 H HA 0.621 5.178 4.556 0.001 0.000 0.355 115 H C 1.380 176.757 175.328 0.082 0.000 1.207 115 H CA -0.103 55.981 56.048 0.062 0.000 1.217 115 H CB 1.705 31.500 29.762 0.056 0.000 1.874 115 H HN 0.225 nan 8.280 nan 0.000 0.581 116 A N 0.589 123.541 122.820 0.219 0.000 2.178 116 A HA -0.157 4.164 4.320 0.001 0.000 0.218 116 A C 1.399 179.090 177.584 0.179 0.000 1.157 116 A CA 1.405 53.540 52.037 0.163 0.000 0.689 116 A CB -0.333 18.747 19.000 0.135 0.000 0.787 116 A HN 0.602 nan 8.150 nan 0.000 0.465 117 D N -1.088 119.435 120.400 0.205 0.000 2.092 117 D HA -0.205 4.436 4.640 0.001 0.000 0.193 117 D C 1.663 178.085 176.300 0.204 0.000 0.994 117 D CA 1.913 56.015 54.000 0.171 0.000 0.828 117 D CB -0.551 40.339 40.800 0.150 0.000 0.963 117 D HN 0.657 nan 8.370 nan 0.000 0.450 118 Y N 1.441 121.803 120.300 0.104 0.000 2.153 118 Y HA -0.027 4.523 4.550 0.001 0.000 0.289 118 Y C 2.289 178.248 175.900 0.099 0.000 1.127 118 Y CA 1.686 59.841 58.100 0.092 0.000 1.131 118 Y CB -0.609 37.895 38.460 0.073 0.000 0.995 118 Y HN -0.055 nan 8.280 nan 0.000 0.505 119 A N 0.570 123.375 122.820 -0.024 0.000 1.892 119 A HA -0.175 4.145 4.320 0.001 0.000 0.218 119 A C 2.487 180.043 177.584 -0.046 0.000 1.188 119 A CA 2.141 54.104 52.037 -0.123 0.000 0.631 119 A CB -1.814 17.209 19.000 0.038 0.000 0.822 119 A HN 0.643 nan 8.150 nan 0.000 0.447 120 G N -0.992 107.866 108.800 0.097 0.000 2.418 120 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 120 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 120 G C 1.647 176.724 174.900 0.295 0.000 1.158 120 G CA 1.251 46.499 45.100 0.247 0.000 0.771 120 G HN 0.469 nan 8.290 nan 0.000 0.545 121 M N 0.035 119.755 119.600 0.199 0.000 2.086 121 M HA 0.053 4.533 4.480 0.001 0.000 0.261 121 M C 2.529 178.863 176.300 0.058 0.000 1.067 121 M CA 1.133 56.568 55.300 0.226 0.000 1.116 121 M CB -0.354 32.345 32.600 0.165 0.000 1.348 121 M HN 0.106 nan 8.290 nan 0.000 0.407 122 L N -0.131 121.025 121.223 -0.111 0.000 2.046 122 L HA -0.236 4.105 4.340 0.001 0.000 0.208 122 L C 2.530 179.314 176.870 -0.143 0.000 1.077 122 L CA 1.549 56.290 54.840 -0.166 0.000 0.747 122 L CB -1.014 40.855 42.059 -0.316 0.000 0.896 122 L HN 0.396 nan 8.230 nan 0.000 0.432 123 K N 0.160 120.483 120.400 -0.129 0.000 2.026 123 K HA -0.212 4.109 4.320 0.001 0.000 0.208 123 K C 1.815 178.178 176.600 -0.395 0.000 1.048 123 K CA 1.695 57.839 56.287 -0.239 0.000 0.929 123 K CB -0.172 32.197 32.500 -0.219 0.000 0.713 123 K HN 0.197 nan 8.250 nan 0.000 0.439 124 Y N 0.093 120.253 120.300 -0.233 0.000 2.466 124 Y HA 0.210 4.760 4.550 0.001 0.000 0.272 124 Y C 1.108 176.631 175.900 -0.628 0.000 1.169 124 Y CA 0.389 58.184 58.100 -0.508 0.000 1.285 124 Y CB 0.616 38.561 38.460 -0.858 0.000 1.078 124 Y HN 0.360 nan 8.280 nan 0.000 0.523 125 G N 0.727 109.373 108.800 -0.258 0.000 2.341 125 G HA2 -0.344 3.617 3.960 0.001 0.000 0.292 125 G HA3 -0.344 3.617 3.960 0.001 0.000 0.292 125 G C -0.053 174.765 174.900 -0.135 0.000 1.021 125 G CA -0.066 44.931 45.100 -0.173 0.000 0.905 125 G HN 0.362 nan 8.290 nan 0.000 0.508 126 F N -0.383 119.614 119.950 0.078 0.000 2.429 126 F HA 0.289 4.816 4.527 0.001 0.000 0.348 126 F C 1.347 177.173 175.800 0.042 0.000 1.109 126 F CA -0.661 57.373 58.000 0.057 0.000 1.232 126 F CB 0.831 39.863 39.000 0.054 0.000 1.157 126 F HN -0.041 nan 8.300 nan 0.000 0.564 127 D N 0.478 121.033 120.400 0.258 0.000 2.349 127 D HA -0.009 4.632 4.640 0.001 0.000 0.215 127 D C -0.237 176.139 176.300 0.127 0.000 1.016 127 D CA 0.824 54.913 54.000 0.149 0.000 0.870 127 D CB -0.009 40.859 40.800 0.113 0.000 0.917 127 D HN 0.437 nan 8.370 nan 0.000 0.524 128 D N -1.361 119.119 120.400 0.134 0.000 2.738 128 D HA 0.469 5.109 4.640 0.001 0.000 0.237 128 D C 0.161 176.461 176.300 0.000 0.000 1.123 128 D CA -0.771 53.257 54.000 0.047 0.000 0.856 128 D CB 1.746 42.547 40.800 0.002 0.000 1.552 128 D HN -0.165 nan 8.370 nan 0.000 0.480 129 A N 3.043 125.863 122.820 0.001 0.000 2.208 129 A HA 0.041 4.361 4.320 0.001 0.000 0.209 129 A C 1.880 179.403 177.584 -0.101 0.000 1.161 129 A CA 0.639 52.665 52.037 -0.018 0.000 0.782 129 A CB -0.267 18.751 19.000 0.029 0.000 0.816 129 A HN 0.500 nan 8.150 nan 0.000 0.477 130 R N 1.381 121.810 120.500 -0.119 0.000 2.083 130 R HA -0.095 4.245 4.340 0.001 0.000 0.237 130 R C -0.873 175.290 176.300 -0.229 0.000 1.137 130 R CA 2.582 58.610 56.100 -0.120 0.000 0.951 130 R CB -1.386 28.875 30.300 -0.065 0.000 0.851 130 R HN 0.430 nan 8.270 nan 0.000 0.434 131 P HA -0.109 nan 4.420 nan 0.000 0.221 131 P C 1.512 178.542 177.300 -0.451 0.000 1.150 131 P CA 1.434 64.195 63.100 -0.566 0.000 0.800 131 P CB -0.281 30.734 31.700 -1.141 0.000 0.787 132 V N -0.382 119.311 119.914 -0.368 0.000 2.244 132 V HA -0.209 3.911 4.120 0.001 0.000 0.244 132 V C 2.436 178.477 176.094 -0.090 0.000 1.042 132 V CA 1.538 63.759 62.300 -0.132 0.000 1.006 132 V CB -1.762 30.084 31.823 0.039 0.000 0.641 132 V HN -0.014 nan 8.190 nan 0.000 0.446 133 L N -0.189 120.986 121.223 -0.080 0.000 2.051 133 L HA -0.223 4.117 4.340 0.001 0.000 0.214 133 L C 2.887 179.698 176.870 -0.098 0.000 1.076 133 L CA 2.534 57.336 54.840 -0.062 0.000 0.758 133 L CB -0.526 41.492 42.059 -0.069 0.000 0.890 133 L HN 0.446 nan 8.230 nan 0.000 0.433 134 E N -0.402 119.715 120.200 -0.139 0.000 2.107 134 E HA -0.172 4.179 4.350 0.001 0.000 0.191 134 E C 2.285 178.783 176.600 -0.171 0.000 0.982 134 E CA 0.686 56.977 56.400 -0.182 0.000 0.809 134 E CB -0.122 29.473 29.700 -0.176 0.000 0.756 134 E HN 0.404 nan 8.360 nan 0.000 0.459 135 R N 0.173 120.592 120.500 -0.134 0.000 2.100 135 R HA 0.128 4.468 4.340 0.001 0.000 0.220 135 R C 1.910 178.171 176.300 -0.066 0.000 1.091 135 R CA 0.922 56.961 56.100 -0.102 0.000 0.986 135 R CB -0.155 30.089 30.300 -0.094 0.000 0.888 135 R HN 0.062 nan 8.270 nan 0.000 0.444 136 A N 0.695 123.489 122.820 -0.043 0.000 2.168 136 A HA -0.020 4.301 4.320 0.001 0.000 0.215 136 A C 1.175 178.766 177.584 0.013 0.000 1.152 136 A CA 0.662 52.703 52.037 0.007 0.000 0.716 136 A CB -0.241 18.788 19.000 0.049 0.000 0.794 136 A HN 0.353 nan 8.150 nan 0.000 0.465 137 S N -0.960 114.724 115.700 -0.027 0.000 2.603 137 S HA 0.486 4.956 4.470 0.001 0.000 0.268 137 S C 1.039 175.625 174.600 -0.024 0.000 1.317 137 S CA 0.020 58.212 58.200 -0.013 0.000 1.012 137 S CB 1.332 64.483 63.200 -0.083 0.000 0.926 137 S HN 0.888 nan 8.310 nan 0.000 0.539 138 A N 1.990 124.809 122.820 -0.001 0.000 2.239 138 A HA 0.072 4.393 4.320 0.001 0.000 0.209 138 A C 1.969 179.532 177.584 -0.034 0.000 1.171 138 A CA 1.007 53.038 52.037 -0.009 0.000 0.768 138 A CB -0.767 18.237 19.000 0.007 0.000 0.790 138 A HN 0.909 nan 8.150 nan 0.000 0.478 139 R N 1.102 121.560 120.500 -0.069 0.000 2.159 139 R HA -0.149 4.191 4.340 0.001 0.000 0.237 139 R C 1.749 178.007 176.300 -0.071 0.000 1.131 139 R CA 1.868 57.915 56.100 -0.088 0.000 0.982 139 R CB -0.538 29.665 30.300 -0.162 0.000 0.868 139 R HN 0.552 nan 8.270 nan 0.000 0.453 140 E N 0.142 120.302 120.200 -0.066 0.000 2.267 140 E HA -0.161 4.189 4.350 0.001 0.000 0.197 140 E C 0.937 177.520 176.600 -0.029 0.000 0.998 140 E CA 1.721 58.092 56.400 -0.049 0.000 0.830 140 E CB -0.093 29.585 29.700 -0.037 0.000 0.751 140 E HN 0.614 nan 8.360 nan 0.000 0.491 141 T N -2.580 111.959 114.554 -0.025 0.000 3.072 141 T HA 0.154 4.504 4.350 0.001 0.000 0.266 141 T C 1.852 176.537 174.700 -0.025 0.000 1.127 141 T CA 0.819 62.907 62.100 -0.019 0.000 1.107 141 T CB -0.013 68.846 68.868 -0.016 0.000 0.910 141 T HN 0.184 nan 8.240 nan 0.000 0.513 142 A N 1.640 124.443 122.820 -0.029 0.000 1.898 142 A HA 0.380 4.700 4.320 0.001 0.000 0.216 142 A C 2.806 180.373 177.584 -0.028 0.000 1.181 142 A CA 1.558 53.578 52.037 -0.028 0.000 0.620 142 A CB -1.347 17.634 19.000 -0.032 0.000 0.819 142 A HN 0.722 nan 8.150 nan 0.000 0.442 143 A N -0.210 122.593 122.820 -0.028 0.000 1.873 143 A HA -0.138 4.182 4.320 0.001 0.000 0.215 143 A C 2.187 179.759 177.584 -0.019 0.000 1.186 143 A CA 1.664 53.688 52.037 -0.021 0.000 0.616 143 A CB -0.492 18.498 19.000 -0.017 0.000 0.823 143 A HN 0.499 nan 8.150 nan 0.000 0.442 144 R N -0.762 119.727 120.500 -0.018 0.000 2.115 144 R HA -0.165 4.176 4.340 0.001 0.000 0.239 144 R C 2.009 178.264 176.300 -0.074 0.000 1.133 144 R CA 1.951 58.025 56.100 -0.043 0.000 0.935 144 R CB -0.832 29.445 30.300 -0.038 0.000 0.853 144 R HN 0.346 nan 8.270 nan 0.000 0.433 145 V N 0.645 120.526 119.914 -0.055 0.000 2.469 145 V HA -0.266 3.854 4.120 0.001 0.000 0.251 145 V C 2.299 178.363 176.094 -0.050 0.000 1.064 145 V CA 1.879 64.145 62.300 -0.056 0.000 1.066 145 V CB -0.717 31.084 31.823 -0.037 0.000 0.667 145 V HN 0.517 nan 8.190 nan 0.000 0.461 146 A N -0.085 122.712 122.820 -0.038 0.000 1.908 146 A HA -0.150 4.170 4.320 0.001 0.000 0.218 146 A C 2.406 179.968 177.584 -0.037 0.000 1.181 146 A CA 2.223 54.243 52.037 -0.029 0.000 0.627 146 A CB -0.687 18.300 19.000 -0.021 0.000 0.818 146 A HN 0.577 nan 8.150 nan 0.000 0.445 147 A N -0.685 122.105 122.820 -0.050 0.000 1.897 147 A HA 0.241 4.562 4.320 0.001 0.000 0.215 147 A C 2.482 179.998 177.584 -0.113 0.000 1.181 147 A CA 1.663 53.667 52.037 -0.056 0.000 0.620 147 A CB -1.526 17.451 19.000 -0.037 0.000 0.821 147 A HN 0.897 nan 8.150 nan 0.000 0.443 148 G N -0.257 108.444 108.800 -0.164 0.000 2.663 148 G HA2 -0.385 3.575 3.960 0.001 0.000 0.222 148 G HA3 -0.385 3.575 3.960 0.001 0.000 0.222 148 G C 1.563 176.415 174.900 -0.080 0.000 1.146 148 G CA 2.017 47.024 45.100 -0.154 0.000 0.764 148 G HN 0.446 nan 8.290 nan 0.000 0.608 149 T N 0.450 114.976 114.554 -0.047 0.000 2.833 149 T HA -0.063 4.287 4.350 0.001 0.000 0.269 149 T C 2.532 177.235 174.700 0.005 0.000 1.054 149 T CA 1.176 63.267 62.100 -0.015 0.000 1.135 149 T CB -0.170 68.692 68.868 -0.010 0.000 0.869 149 T HN 0.139 nan 8.240 nan 0.000 0.466 150 V N 1.693 121.606 119.914 -0.002 0.000 2.358 150 V HA -0.124 3.997 4.120 0.001 0.000 0.246 150 V C 2.913 179.049 176.094 0.070 0.000 1.047 150 V CA 1.566 63.884 62.300 0.030 0.000 1.035 150 V CB -1.279 30.553 31.823 0.015 0.000 0.658 150 V HN 0.510 nan 8.190 nan 0.000 0.452 151 A N 1.696 124.528 122.820 0.020 0.000 1.883 151 A HA -0.252 4.069 4.320 0.001 0.000 0.217 151 A C 2.401 180.063 177.584 0.130 0.000 1.186 151 A CA 2.202 54.276 52.037 0.062 0.000 0.624 151 A CB -0.585 18.377 19.000 -0.064 0.000 0.822 151 A HN 0.673 nan 8.150 nan 0.000 0.444 152 R N -0.394 120.136 120.500 0.050 0.000 2.096 152 R HA 0.013 4.354 4.340 0.001 0.000 0.235 152 R C 2.195 178.528 176.300 0.055 0.000 1.127 152 R CA 1.489 57.615 56.100 0.043 0.000 0.968 152 R CB -0.784 29.522 30.300 0.009 0.000 0.861 152 R HN 0.335 nan 8.270 nan 0.000 0.440 153 A N 1.786 124.649 122.820 0.073 0.000 1.858 153 A HA -0.190 4.131 4.320 0.001 0.000 0.216 153 A C 2.078 179.704 177.584 0.070 0.000 1.190 153 A CA 1.373 53.453 52.037 0.072 0.000 0.617 153 A CB -0.832 18.223 19.000 0.090 0.000 0.827 153 A HN 0.482 nan 8.150 nan 0.000 0.443 154 F N 0.128 120.086 119.950 0.012 0.000 2.091 154 F HA -0.209 4.319 4.527 0.000 0.000 0.299 154 F C 1.821 177.629 175.800 0.013 0.000 1.103 154 F CA 1.887 59.897 58.000 0.017 0.000 1.228 154 F CB -0.301 38.711 39.000 0.021 0.000 0.984 154 F HN 0.166 nan 8.300 nan 0.000 0.477 155 L N 0.660 121.839 121.223 -0.073 0.000 2.072 155 L HA -0.079 4.261 4.340 0.001 0.000 0.205 155 L C 2.633 179.378 176.870 -0.209 0.000 1.079 155 L CA 1.616 56.370 54.840 -0.144 0.000 0.752 155 L CB -1.282 40.820 42.059 0.072 0.000 0.906 155 L HN 0.188 nan 8.230 nan 0.000 0.436 156 R N -0.813 119.613 120.500 -0.123 0.000 2.070 156 R HA -0.183 4.157 4.340 0.001 0.000 0.233 156 R C 2.196 178.404 176.300 -0.153 0.000 1.137 156 R CA 1.693 57.731 56.100 -0.104 0.000 0.945 156 R CB -0.077 30.192 30.300 -0.052 0.000 0.845 156 R HN 0.441 nan 8.270 nan 0.000 0.430 157 Q N -0.970 118.726 119.800 -0.174 0.000 2.230 157 Q HA -0.033 4.307 4.340 0.001 0.000 0.202 157 Q C 1.789 177.640 176.000 -0.249 0.000 0.963 157 Q CA 1.386 57.092 55.803 -0.161 0.000 0.866 157 Q CB 0.202 28.887 28.738 -0.089 0.000 0.931 157 Q HN 0.414 nan 8.270 nan 0.000 0.452 158 A N -0.340 122.206 122.820 -0.458 0.000 1.997 158 A HA 0.122 4.443 4.320 0.001 0.000 0.212 158 A C 1.587 178.951 177.584 -0.367 0.000 1.178 158 A CA 0.517 52.253 52.037 -0.502 0.000 0.698 158 A CB 0.294 18.708 19.000 -0.976 0.000 0.842 158 A HN 0.267 nan 8.150 nan 0.000 0.458 159 L N -1.961 119.072 121.223 -0.317 0.000 2.966 159 L HA 0.305 4.645 4.340 0.001 0.000 0.262 159 L C 1.415 178.210 176.870 -0.124 0.000 1.165 159 L CA 0.479 55.200 54.840 -0.198 0.000 0.978 159 L CB 0.660 42.638 42.059 -0.135 0.000 1.337 159 L HN 0.495 nan 8.230 nan 0.000 0.563 160 G N 1.116 109.841 108.800 -0.125 0.000 2.168 160 G HA2 -0.252 3.708 3.960 0.001 0.000 0.257 160 G HA3 -0.252 3.708 3.960 0.001 0.000 0.257 160 G C 0.206 175.073 174.900 -0.056 0.000 0.997 160 G CA 0.337 45.389 45.100 -0.080 0.000 0.708 160 G HN 0.124 nan 8.290 nan 0.000 0.520 161 V N 0.499 120.377 119.914 -0.061 0.000 2.607 161 V HA 0.572 4.692 4.120 0.001 0.000 0.289 161 V C 0.235 176.316 176.094 -0.022 0.000 1.053 161 V CA -0.384 61.899 62.300 -0.027 0.000 0.996 161 V CB 1.741 33.558 31.823 -0.008 0.000 0.995 161 V HN 0.312 nan 8.190 nan 0.000 0.476 162 E N 2.536 122.729 120.200 -0.011 0.000 2.266 162 E HA 0.608 4.958 4.350 0.001 0.000 0.268 162 E C -1.402 175.197 176.600 -0.002 0.000 0.879 162 E CA -0.513 55.880 56.400 -0.011 0.000 0.762 162 E CB 2.536 32.226 29.700 -0.017 0.000 1.199 162 E HN 0.350 nan 8.360 nan 0.000 0.422 163 V N 3.822 123.735 119.914 -0.001 0.000 2.604 163 V HA 0.576 4.696 4.120 0.001 0.000 0.305 163 V C -0.026 176.069 176.094 0.001 0.000 1.043 163 V CA -0.650 61.653 62.300 0.004 0.000 0.888 163 V CB 1.532 33.357 31.823 0.004 0.000 0.995 163 V HN 0.533 nan 8.190 nan 0.000 0.429 164 L N 2.567 123.794 121.223 0.007 0.000 2.389 164 L HA 1.092 5.432 4.340 0.001 0.000 0.249 164 L C -0.404 176.490 176.870 0.040 0.000 1.083 164 L CA -0.648 54.197 54.840 0.009 0.000 0.876 164 L CB 2.250 44.300 42.059 -0.016 0.000 1.489 164 L HN 0.669 nan 8.230 nan 0.000 0.412 165 S N -1.569 114.168 115.700 0.062 0.000 2.625 165 S HA 0.828 5.298 4.470 0.001 0.000 0.271 165 S C -1.342 173.355 174.600 0.162 0.000 1.161 165 S CA -0.525 57.736 58.200 0.100 0.000 0.820 165 S CB 1.619 64.841 63.200 0.037 0.000 1.137 165 S HN 1.301 nan 8.310 nan 0.000 0.470 166 H N -2.086 116.991 119.070 0.011 0.000 3.085 166 H HA 0.666 5.222 4.556 0.001 0.000 0.356 166 H C -1.588 173.775 175.328 0.058 0.000 1.178 166 H CA -1.273 54.791 56.048 0.025 0.000 1.214 166 H CB 0.617 30.384 29.762 0.008 0.000 1.881 166 H HN 0.528 nan 8.280 nan 0.000 0.538 167 V N 4.118 124.029 119.914 -0.005 0.000 2.508 167 V HA 0.012 4.133 4.120 0.001 0.000 0.281 167 V C 1.442 177.525 176.094 -0.019 0.000 1.041 167 V CA 0.376 62.651 62.300 -0.042 0.000 1.016 167 V CB 0.154 31.988 31.823 0.018 0.000 0.984 167 V HN 0.864 nan 8.190 nan 0.000 0.478 168 I N 2.710 123.252 120.570 -0.047 0.000 3.265 168 I HA 0.281 4.451 4.170 0.001 0.000 0.282 168 I C 0.846 177.014 176.117 0.085 0.000 1.207 168 I CA 0.770 62.111 61.300 0.068 0.000 1.449 168 I CB 0.429 38.463 38.000 0.056 0.000 1.121 168 I HN 0.639 nan 8.210 nan 0.000 0.442 169 S N -0.164 115.560 115.700 0.039 0.000 2.547 169 S HA 0.700 5.170 4.470 0.001 0.000 0.270 169 S C -1.060 173.552 174.600 0.019 0.000 1.150 169 S CA -0.776 57.447 58.200 0.038 0.000 0.850 169 S CB 1.333 64.551 63.200 0.030 0.000 1.118 169 S HN 0.164 nan 8.310 nan 0.000 0.461 170 I N 2.047 122.630 120.570 0.021 0.000 2.499 170 I HA 0.618 4.789 4.170 0.001 0.000 0.288 170 I C 0.968 177.089 176.117 0.008 0.000 1.048 170 I CA 0.303 61.609 61.300 0.010 0.000 1.062 170 I CB 1.452 39.460 38.000 0.014 0.000 1.238 170 I HN 1.314 nan 8.210 nan 0.000 0.426 171 G N 4.890 113.688 108.800 -0.002 0.000 2.561 171 G HA2 -0.300 3.660 3.960 0.001 0.000 0.289 171 G HA3 -0.300 3.660 3.960 0.001 0.000 0.289 171 G C 0.539 175.439 174.900 0.000 0.000 1.169 171 G CA 0.406 45.504 45.100 -0.003 0.000 0.980 171 G HN 1.020 nan 8.290 nan 0.000 0.550 172 A N 0.125 122.948 122.820 0.005 0.000 2.500 172 A HA 0.689 5.009 4.320 0.001 0.000 0.267 172 A C 1.239 178.831 177.584 0.014 0.000 1.290 172 A CA 1.403 53.443 52.037 0.006 0.000 0.928 172 A CB -0.546 18.456 19.000 0.004 0.000 1.066 172 A HN 2.177 nan 8.150 nan 0.000 0.516 173 S N 0.154 115.866 115.700 0.020 0.000 2.573 173 S HA 0.468 4.939 4.470 0.001 0.000 0.277 173 S C 0.563 175.182 174.600 0.032 0.000 1.346 173 S CA -0.039 58.179 58.200 0.030 0.000 1.034 173 S CB 0.797 64.021 63.200 0.041 0.000 0.879 173 S HN 1.157 nan 8.310 nan 0.000 0.528 174 A N 2.960 125.802 122.820 0.037 0.000 2.492 174 A HA 0.497 4.817 4.320 0.001 0.000 0.254 174 A C -2.152 175.468 177.584 0.059 0.000 1.091 174 A CA -1.361 50.700 52.037 0.039 0.000 0.768 174 A CB -0.895 18.129 19.000 0.039 0.000 1.028 174 A HN 0.690 nan 8.150 nan 0.000 0.498 175 P HA 0.039 nan 4.420 nan 0.000 0.266 175 P C -0.390 176.974 177.300 0.107 0.000 1.195 175 P CA 0.306 63.449 63.100 0.071 0.000 0.768 175 P CB 0.171 31.892 31.700 0.035 0.000 0.838 176 Y N 2.614 122.948 120.300 0.056 0.000 2.379 176 Y HA 0.101 4.651 4.550 0.001 0.000 0.337 176 Y C 0.466 176.427 175.900 0.101 0.000 1.238 176 Y CA 0.020 58.171 58.100 0.084 0.000 1.405 176 Y CB 0.683 39.225 38.460 0.137 0.000 1.310 176 Y HN 0.311 nan 8.280 nan 0.000 0.569 177 E N 3.704 123.126 120.200 -1.298 0.000 2.145 177 E HA 0.468 4.818 4.350 0.001 0.000 0.270 177 E C -0.366 175.720 176.600 -0.856 0.000 0.906 177 E CA -0.191 55.623 56.400 -0.977 0.000 0.761 177 E CB 1.095 30.531 29.700 -0.441 0.000 1.116 177 E HN 0.962 nan 8.360 nan 0.000 0.408 178 G N 4.441 113.073 108.800 -0.280 0.000 3.436 178 G HA2 -0.106 3.855 3.960 0.001 0.000 0.685 178 G HA3 -0.106 3.855 3.960 0.001 0.000 0.685 178 G C -2.894 172.223 174.900 0.362 0.000 1.039 178 G CA -1.040 44.107 45.100 0.078 0.000 0.879 178 G HN 0.353 nan 8.290 nan 0.000 0.478 179 P HA 0.484 nan 4.420 nan 0.000 0.279 179 P C -2.246 174.913 177.300 -0.235 0.000 1.252 179 P CA -1.740 61.375 63.100 0.025 0.000 0.811 179 P CB 0.849 32.578 31.700 0.049 0.000 1.035 180 P HA 0.342 nan 4.420 nan 0.000 0.274 180 P C -2.710 174.341 177.300 -0.415 0.000 1.237 180 P CA -1.542 60.922 63.100 -1.061 0.000 0.793 180 P CB -0.584 30.273 31.700 -1.405 0.000 0.977 181 P HA 0.255 nan 4.420 nan 0.000 0.285 181 P C 0.941 178.165 177.300 -0.127 0.000 1.280 181 P CA -0.680 62.334 63.100 -0.143 0.000 0.862 181 P CB 0.681 32.338 31.700 -0.072 0.000 1.153 182 R N 1.204 121.656 120.500 -0.079 0.000 2.310 182 R HA -0.371 3.969 4.340 0.001 0.000 0.188 182 R C 1.539 177.810 176.300 -0.047 0.000 1.034 182 R CA 2.621 58.691 56.100 -0.050 0.000 0.330 182 R CB -2.779 27.500 30.300 -0.035 0.000 0.678 182 R HN 0.467 nan 8.270 nan 0.000 0.243 183 A N 2.319 125.115 122.820 -0.039 0.000 1.978 183 A HA -0.152 4.168 4.320 0.001 0.000 0.220 183 A C 1.951 179.525 177.584 -0.017 0.000 1.170 183 A CA 1.687 53.711 52.037 -0.021 0.000 0.636 183 A CB -0.426 18.568 19.000 -0.010 0.000 0.810 183 A HN 0.706 nan 8.150 nan 0.000 0.448 184 E N -0.070 120.109 120.200 -0.035 0.000 2.445 184 E HA -0.051 4.299 4.350 0.001 0.000 0.189 184 E C 0.368 176.951 176.600 -0.029 0.000 1.069 184 E CA 0.460 56.852 56.400 -0.012 0.000 0.871 184 E CB -0.199 29.503 29.700 0.004 0.000 0.991 184 E HN 0.488 nan 8.360 nan 0.000 0.481 185 D N 1.287 121.663 120.400 -0.040 0.000 2.144 185 D HA -0.129 4.512 4.640 0.001 0.000 0.199 185 D C 1.646 177.947 176.300 0.001 0.000 0.984 185 D CA 0.665 54.649 54.000 -0.025 0.000 0.834 185 D CB 0.208 40.994 40.800 -0.023 0.000 0.955 185 D HN 0.104 nan 8.370 nan 0.000 0.465 186 L N 0.822 122.047 121.223 0.004 0.000 2.012 186 L HA -0.092 4.249 4.340 0.001 0.000 0.210 186 L C -0.526 176.355 176.870 0.020 0.000 1.073 186 L CA 1.642 56.489 54.840 0.011 0.000 0.748 186 L CB -2.455 39.610 42.059 0.009 0.000 0.891 186 L HN 0.140 nan 8.230 nan 0.000 0.431 187 P HA -0.086 nan 4.420 nan 0.000 0.217 187 P C 1.627 178.957 177.300 0.049 0.000 1.150 187 P CA 1.829 64.951 63.100 0.037 0.000 0.832 187 P CB -0.011 31.720 31.700 0.052 0.000 0.787 188 A N -0.677 122.177 122.820 0.056 0.000 1.872 188 A HA -0.069 4.251 4.320 0.001 0.000 0.214 188 A C 1.479 179.097 177.584 0.056 0.000 1.187 188 A CA 0.760 52.843 52.037 0.077 0.000 0.614 188 A CB -1.214 17.821 19.000 0.058 0.000 0.826 188 A HN 0.135 nan 8.150 nan 0.000 0.442 189 I N -1.426 119.168 120.570 0.038 0.000 3.276 189 I HA 0.147 4.317 4.170 0.001 0.000 0.306 189 I C 1.270 177.407 176.117 0.034 0.000 1.060 189 I CA 0.625 61.946 61.300 0.035 0.000 1.133 189 I CB 0.688 38.702 38.000 0.023 0.000 1.473 189 I HN 0.661 nan 8.210 nan 0.000 0.649 190 D N 1.759 122.178 120.400 0.032 0.000 4.092 190 D HA -0.437 4.204 4.640 0.001 0.000 0.241 190 D C 1.363 177.682 176.300 0.031 0.000 0.686 190 D CA 3.126 57.144 54.000 0.030 0.000 0.904 190 D CB -0.829 39.984 40.800 0.023 0.000 0.399 190 D HN 0.891 nan 8.370 nan 0.000 0.335 191 A N -0.843 121.991 122.820 0.024 0.000 2.028 191 A HA -0.382 3.939 4.320 0.001 0.000 0.296 191 A C 1.528 179.126 177.584 0.024 0.000 3.464 191 A CA 3.683 55.732 52.037 0.020 0.000 1.008 191 A CB -1.761 17.251 19.000 0.020 0.000 0.658 191 A HN 1.039 nan 8.150 nan 0.000 0.482 192 S N 0.936 116.656 115.700 0.033 0.000 2.515 192 S HA 0.308 4.778 4.470 0.001 0.000 0.285 192 S C -1.180 173.453 174.600 0.055 0.000 1.265 192 S CA -0.531 57.692 58.200 0.038 0.000 1.079 192 S CB 0.532 63.760 63.200 0.048 0.000 0.877 192 S HN 0.263 nan 8.310 nan 0.000 0.493 193 P HA -0.124 nan 4.420 nan 0.000 0.218 193 P C 0.711 178.112 177.300 0.168 0.000 1.146 193 P CA 1.084 64.248 63.100 0.107 0.000 0.820 193 P CB -0.011 31.709 31.700 0.033 0.000 0.778 194 V N -5.920 114.066 119.914 0.120 0.000 3.070 194 V HA 0.356 4.476 4.120 0.001 0.000 0.345 194 V C 0.401 176.541 176.094 0.076 0.000 1.403 194 V CA -0.622 61.741 62.300 0.106 0.000 1.155 194 V CB -0.778 31.108 31.823 0.105 0.000 1.140 194 V HN -0.028 nan 8.190 nan 0.000 0.505 195 R N 0.124 120.668 120.500 0.073 0.000 3.502 195 R HA -0.186 4.155 4.340 0.001 0.000 0.266 195 R C 0.520 176.880 176.300 0.101 0.000 1.077 195 R CA 0.895 57.041 56.100 0.076 0.000 0.718 195 R CB -1.970 28.368 30.300 0.063 0.000 1.120 195 R HN 0.975 nan 8.270 nan 0.000 0.457 196 A N 0.182 123.056 122.820 0.090 0.000 2.331 196 A HA 0.296 4.616 4.320 0.001 0.000 0.283 196 A C 0.662 178.311 177.584 0.109 0.000 1.142 196 A CA -0.440 51.651 52.037 0.091 0.000 0.812 196 A CB 0.416 19.439 19.000 0.039 0.000 1.074 196 A HN 0.456 nan 8.150 nan 0.000 0.497 197 Y N 1.478 121.730 120.300 -0.081 0.000 2.365 197 Y HA 0.012 4.562 4.550 0.001 0.000 0.293 197 Y C 0.585 176.297 175.900 -0.313 0.000 1.119 197 Y CA 0.810 58.777 58.100 -0.221 0.000 1.203 197 Y CB 0.289 38.513 38.460 -0.393 0.000 1.026 197 Y HN 0.736 nan 8.280 nan 0.000 0.549 198 D N 0.848 120.936 120.400 -0.519 0.000 2.233 198 D HA 0.077 4.717 4.640 0.001 0.000 0.240 198 D C 0.954 177.098 176.300 -0.260 0.000 1.074 198 D CA -0.380 53.257 54.000 -0.604 0.000 0.838 198 D CB 1.157 41.486 40.800 -0.785 0.000 1.124 198 D HN -0.028 nan 8.370 nan 0.000 0.475 199 K N 3.537 123.812 120.400 -0.209 0.000 2.034 199 K HA -0.292 4.028 4.320 0.001 0.000 0.214 199 K C 1.510 178.075 176.600 -0.059 0.000 1.051 199 K CA 1.775 57.997 56.287 -0.109 0.000 0.931 199 K CB -0.466 31.980 32.500 -0.090 0.000 0.715 199 K HN 0.541 nan 8.250 nan 0.000 0.446 200 A N 0.876 123.671 122.820 -0.042 0.000 1.902 200 A HA -0.072 4.249 4.320 0.001 0.000 0.217 200 A C 2.416 180.010 177.584 0.016 0.000 1.181 200 A CA 2.261 54.297 52.037 -0.002 0.000 0.623 200 A CB -0.759 18.253 19.000 0.020 0.000 0.818 200 A HN 0.556 nan 8.150 nan 0.000 0.443 201 A N -0.488 122.347 122.820 0.024 0.000 1.898 201 A HA -0.144 4.177 4.320 0.001 0.000 0.216 201 A C 1.990 179.595 177.584 0.035 0.000 1.181 201 A CA 1.750 53.821 52.037 0.057 0.000 0.620 201 A CB -0.608 18.451 19.000 0.098 0.000 0.819 201 A HN 0.665 nan 8.150 nan 0.000 0.442 202 E N -0.019 120.184 120.200 0.006 0.000 2.065 202 E HA -0.246 4.104 4.350 0.001 0.000 0.201 202 E C 2.114 178.728 176.600 0.024 0.000 1.016 202 E CA 1.588 57.997 56.400 0.015 0.000 0.818 202 E CB -0.305 29.390 29.700 -0.008 0.000 0.749 202 E HN 0.540 nan 8.360 nan 0.000 0.453 203 A N 0.793 123.619 122.820 0.011 0.000 1.933 203 A HA -0.225 4.095 4.320 0.001 0.000 0.218 203 A C 2.011 179.611 177.584 0.028 0.000 1.175 203 A CA 1.884 53.928 52.037 0.013 0.000 0.628 203 A CB -0.610 18.392 19.000 0.003 0.000 0.814 203 A HN 0.441 nan 8.150 nan 0.000 0.444 204 D N -0.578 119.841 120.400 0.032 0.000 2.117 204 D HA -0.113 4.527 4.640 0.001 0.000 0.198 204 D C 1.989 178.316 176.300 0.045 0.000 0.982 204 D CA 1.451 55.472 54.000 0.036 0.000 0.828 204 D CB -0.279 40.545 40.800 0.039 0.000 0.967 204 D HN 0.449 nan 8.370 nan 0.000 0.464 205 M N -0.214 119.417 119.600 0.052 0.000 2.080 205 M HA -0.133 4.347 4.480 0.001 0.000 0.260 205 M C 2.414 178.765 176.300 0.084 0.000 1.068 205 M CA 1.215 56.552 55.300 0.060 0.000 1.109 205 M CB -0.248 32.389 32.600 0.062 0.000 1.342 205 M HN 0.061 nan 8.290 nan 0.000 0.405 206 I N 0.079 120.712 120.570 0.105 0.000 2.264 206 I HA -0.295 3.876 4.170 0.001 0.000 0.248 206 I C 2.681 178.877 176.117 0.131 0.000 1.111 206 I CA 1.227 62.628 61.300 0.168 0.000 1.382 206 I CB -0.617 37.444 38.000 0.102 0.000 1.060 206 I HN 0.290 nan 8.210 nan 0.000 0.418 207 A N 0.162 123.028 122.820 0.075 0.000 1.908 207 A HA -0.247 4.074 4.320 0.001 0.000 0.218 207 A C 2.284 179.903 177.584 0.058 0.000 1.181 207 A CA 1.488 53.559 52.037 0.057 0.000 0.627 207 A CB -0.492 18.530 19.000 0.036 0.000 0.818 207 A HN 0.417 nan 8.150 nan 0.000 0.445 208 Q N -0.559 119.273 119.800 0.052 0.000 2.167 208 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 208 Q C 2.143 178.164 176.000 0.035 0.000 0.970 208 Q CA 1.183 57.007 55.803 0.036 0.000 0.855 208 Q CB -0.288 28.467 28.738 0.027 0.000 0.911 208 Q HN 0.780 nan 8.270 nan 0.000 0.438 209 I N 0.472 121.076 120.570 0.056 0.000 2.277 209 I HA -0.202 3.968 4.170 0.001 0.000 0.243 209 I C 2.093 178.234 176.117 0.040 0.000 1.094 209 I CA 0.521 61.830 61.300 0.015 0.000 1.393 209 I CB -0.153 37.834 38.000 -0.022 0.000 1.078 209 I HN 0.083 nan 8.210 nan 0.000 0.417 210 E N 1.356 121.630 120.200 0.124 0.000 2.119 210 E HA -0.315 4.035 4.350 0.001 0.000 0.221 210 E C 2.187 178.820 176.600 0.055 0.000 1.062 210 E CA 2.193 58.661 56.400 0.113 0.000 0.894 210 E CB -0.635 29.122 29.700 0.096 0.000 0.785 210 E HN 0.503 nan 8.360 nan 0.000 0.472 211 A N 0.311 123.155 122.820 0.040 0.000 1.933 211 A HA -0.042 4.279 4.320 0.001 0.000 0.218 211 A C 2.333 179.924 177.584 0.012 0.000 1.175 211 A CA 2.376 54.427 52.037 0.023 0.000 0.628 211 A CB -0.610 18.402 19.000 0.019 0.000 0.814 211 A HN 0.301 nan 8.150 nan 0.000 0.444 212 A N -0.470 122.353 122.820 0.006 0.000 1.897 212 A HA -0.081 4.239 4.320 0.001 0.000 0.215 212 A C 2.100 179.674 177.584 -0.016 0.000 1.181 212 A CA 1.681 53.712 52.037 -0.009 0.000 0.620 212 A CB -0.422 18.567 19.000 -0.019 0.000 0.821 212 A HN 0.486 nan 8.150 nan 0.000 0.443 213 K N -0.106 120.286 120.400 -0.014 0.000 2.015 213 K HA -0.266 4.054 4.320 0.001 0.000 0.216 213 K C 2.230 178.829 176.600 -0.001 0.000 1.052 213 K CA 2.140 58.420 56.287 -0.012 0.000 0.937 213 K CB -0.241 32.263 32.500 0.007 0.000 0.719 213 K HN 0.477 nan 8.250 nan 0.000 0.446 214 K N 0.603 121.010 120.400 0.012 0.000 2.107 214 K HA -0.212 4.108 4.320 0.001 0.000 0.211 214 K C 0.935 177.536 176.600 0.000 0.000 1.049 214 K CA 2.365 58.658 56.287 0.009 0.000 0.927 214 K CB -0.061 32.448 32.500 0.015 0.000 0.714 214 K HN 0.170 nan 8.250 nan 0.000 0.452 215 D N -0.887 119.511 120.400 -0.004 0.000 2.340 215 D HA 0.087 4.727 4.640 0.001 0.000 0.220 215 D C 0.707 176.997 176.300 -0.017 0.000 1.039 215 D CA 0.914 54.909 54.000 -0.008 0.000 0.866 215 D CB 0.335 41.130 40.800 -0.007 0.000 0.913 215 D HN 0.500 nan 8.370 nan 0.000 0.523 216 G N 1.287 110.074 108.800 -0.023 0.000 2.273 216 G HA2 -0.258 3.703 3.960 0.001 0.000 0.280 216 G HA3 -0.258 3.703 3.960 0.001 0.000 0.280 216 G C -0.104 174.767 174.900 -0.048 0.000 1.047 216 G CA 0.374 45.449 45.100 -0.040 0.000 0.869 216 G HN 0.309 nan 8.290 nan 0.000 0.502 217 D N -0.727 119.650 120.400 -0.038 0.000 2.592 217 D HA 0.795 5.435 4.640 0.001 0.000 0.259 217 D C 0.766 177.044 176.300 -0.038 0.000 1.144 217 D CA 0.614 54.593 54.000 -0.034 0.000 1.080 217 D CB 1.707 42.494 40.800 -0.022 0.000 1.225 217 D HN 0.397 nan 8.370 nan 0.000 0.619 218 T N -1.369 113.168 114.554 -0.029 0.000 2.907 218 T HA 0.727 5.077 4.350 0.001 0.000 0.292 218 T C -0.258 174.429 174.700 -0.023 0.000 1.043 218 T CA -0.818 61.266 62.100 -0.028 0.000 1.003 218 T CB 1.135 69.994 68.868 -0.015 0.000 1.084 218 T HN 0.243 nan 8.240 nan 0.000 0.483 219 L N 0.747 121.954 121.223 -0.027 0.000 2.323 219 L HA 0.824 5.164 4.340 0.001 0.000 0.265 219 L C 0.779 177.635 176.870 -0.022 0.000 1.012 219 L CA -1.090 53.736 54.840 -0.023 0.000 0.820 219 L CB 2.192 44.236 42.059 -0.026 0.000 1.334 219 L HN 1.023 nan 8.230 nan 0.000 0.427 220 G N -0.671 108.117 108.800 -0.020 0.000 2.990 220 G HA2 0.855 4.816 3.960 0.001 0.000 0.208 220 G HA3 0.855 4.816 3.960 0.001 0.000 0.208 220 G C -0.625 174.263 174.900 -0.019 0.000 1.334 220 G CA -0.196 44.891 45.100 -0.021 0.000 1.024 220 G HN 0.914 nan 8.290 nan 0.000 0.574 221 G N -2.758 106.030 108.800 -0.020 0.000 2.325 221 G HA2 0.505 4.465 3.960 0.001 0.000 0.295 221 G HA3 0.505 4.465 3.960 0.001 0.000 0.295 221 G C -2.117 172.771 174.900 -0.020 0.000 1.274 221 G CA -0.000 45.090 45.100 -0.016 0.000 0.857 221 G HN 1.171 nan 8.290 nan 0.000 0.499 222 V N 0.487 120.391 119.914 -0.018 0.000 2.588 222 V HA 0.746 4.867 4.120 0.001 0.000 0.304 222 V C 0.205 176.277 176.094 -0.037 0.000 1.042 222 V CA -0.465 61.821 62.300 -0.024 0.000 0.877 222 V CB 1.234 33.045 31.823 -0.020 0.000 0.996 222 V HN 1.437 nan 8.190 nan 0.000 0.425 223 V N 1.417 121.303 119.914 -0.047 0.000 2.960 223 V HA 0.819 4.939 4.120 0.001 0.000 0.315 223 V C -0.698 175.337 176.094 -0.098 0.000 1.087 223 V CA -0.732 61.519 62.300 -0.082 0.000 0.982 223 V CB 2.137 33.929 31.823 -0.051 0.000 1.039 223 V HN 0.954 nan 8.190 nan 0.000 0.437 224 E N 1.436 121.528 120.200 -0.181 0.000 2.244 224 E HA 0.717 5.068 4.350 0.001 0.000 0.260 224 E C -0.625 175.957 176.600 -0.030 0.000 0.884 224 E CA -0.724 55.603 56.400 -0.123 0.000 0.777 224 E CB 1.853 31.446 29.700 -0.178 0.000 1.197 224 E HN 1.274 nan 8.360 nan 0.000 0.416 225 A N 3.287 126.119 122.820 0.019 0.000 2.304 225 A HA 0.634 4.955 4.320 0.001 0.000 0.301 225 A C -0.790 176.837 177.584 0.070 0.000 1.132 225 A CA -0.504 51.561 52.037 0.046 0.000 0.819 225 A CB 1.267 20.281 19.000 0.024 0.000 1.094 225 A HN 0.396 nan 8.150 nan 0.000 0.492 226 V N 0.956 120.913 119.914 0.072 0.000 2.638 226 V HA 0.683 4.803 4.120 0.001 0.000 0.306 226 V C 0.076 176.192 176.094 0.037 0.000 1.052 226 V CA -0.245 62.093 62.300 0.064 0.000 0.885 226 V CB 1.679 33.540 31.823 0.064 0.000 0.999 226 V HN 1.279 nan 8.190 nan 0.000 0.424 227 A N 5.948 128.790 122.820 0.037 0.000 2.318 227 A HA 0.918 5.239 4.320 0.001 0.000 0.317 227 A C -1.012 176.589 177.584 0.029 0.000 1.159 227 A CA -0.453 51.603 52.037 0.030 0.000 0.799 227 A CB 0.825 19.849 19.000 0.039 0.000 1.194 227 A HN 0.777 nan 8.150 nan 0.000 0.479 228 L N 1.601 122.835 121.223 0.017 0.000 2.334 228 L HA 0.709 5.049 4.340 0.001 0.000 0.273 228 L C 1.237 178.117 176.870 0.016 0.000 1.013 228 L CA 0.008 54.857 54.840 0.014 0.000 0.816 228 L CB 1.842 43.900 42.059 -0.001 0.000 1.278 228 L HN 1.219 nan 8.230 nan 0.000 0.431 229 G N 1.565 110.378 108.800 0.022 0.000 2.143 229 G HA2 -0.215 3.745 3.960 0.001 0.000 0.249 229 G HA3 -0.215 3.745 3.960 0.001 0.000 0.249 229 G C -0.214 174.708 174.900 0.036 0.000 0.981 229 G CA -0.575 44.537 45.100 0.020 0.000 0.665 229 G HN 0.283 nan 8.290 nan 0.000 0.528 230 L N 2.103 123.359 121.223 0.054 0.000 2.453 230 L HA 0.415 4.755 4.340 0.001 0.000 0.272 230 L C -0.751 176.185 176.870 0.109 0.000 1.182 230 L CA -1.870 53.020 54.840 0.083 0.000 0.858 230 L CB 0.195 42.305 42.059 0.085 0.000 1.120 230 L HN 0.130 nan 8.230 nan 0.000 0.474 231 P HA 0.193 nan 4.420 nan 0.000 0.278 231 P C -0.702 176.736 177.300 0.230 0.000 1.266 231 P CA -0.494 62.737 63.100 0.219 0.000 0.807 231 P CB 0.954 32.860 31.700 0.343 0.000 1.094 232 V N 0.024 120.097 119.914 0.266 0.000 2.732 232 V HA 0.458 4.578 4.120 0.001 0.000 0.297 232 V C 1.528 177.774 176.094 0.254 0.000 1.060 232 V CA 1.300 63.733 62.300 0.221 0.000 1.038 232 V CB -0.003 31.938 31.823 0.195 0.000 1.003 232 V HN 1.070 nan 8.190 nan 0.000 0.481 233 G N 3.487 112.374 108.800 0.145 0.000 2.163 233 G HA2 -0.162 3.798 3.960 0.001 0.000 0.213 233 G HA3 -0.162 3.798 3.960 0.001 0.000 0.213 233 G C -0.363 174.504 174.900 -0.055 0.000 0.991 233 G CA -0.378 44.764 45.100 0.071 0.000 0.653 233 G HN 0.477 nan 8.290 nan 0.000 0.518 234 L N 1.254 122.469 121.223 -0.014 0.000 2.397 234 L HA 0.653 4.994 4.340 0.001 0.000 0.271 234 L C 1.340 178.196 176.870 -0.023 0.000 1.148 234 L CA 1.476 56.283 54.840 -0.055 0.000 0.825 234 L CB 0.674 42.752 42.059 0.032 0.000 1.117 234 L HN 1.692 nan 8.230 nan 0.000 0.456 235 G N 2.126 110.895 108.800 -0.052 0.000 2.796 235 G HA2 0.082 4.042 3.960 0.001 0.000 0.571 235 G HA3 0.082 4.042 3.960 0.001 0.000 0.571 235 G C -0.622 174.245 174.900 -0.055 0.000 1.370 235 G CA -0.196 44.891 45.100 -0.021 0.000 0.856 235 G HN 0.932 nan 8.290 nan 0.000 0.538 236 S N -2.054 113.626 115.700 -0.034 0.000 2.615 236 S HA 0.697 5.168 4.470 0.001 0.000 0.269 236 S C 0.343 174.915 174.600 -0.047 0.000 1.161 236 S CA 0.431 58.555 58.200 -0.126 0.000 0.817 236 S CB 0.945 63.947 63.200 -0.331 0.000 1.131 236 S HN 1.819 nan 8.310 nan 0.000 0.467 237 F N 0.290 120.260 119.950 0.032 0.000 2.727 237 F HA 0.265 4.792 4.527 0.000 0.000 0.302 237 F C 1.952 177.780 175.800 0.046 0.000 1.097 237 F CA 0.468 58.488 58.000 0.033 0.000 1.330 237 F CB -1.121 37.887 39.000 0.013 0.000 1.084 237 F HN 0.530 nan 8.300 nan 0.000 0.578 238 T N -3.006 111.308 114.554 -0.401 0.000 2.962 238 T HA 0.129 4.479 4.350 0.001 0.000 0.270 238 T C 0.695 175.408 174.700 0.022 0.000 1.088 238 T CA 0.700 62.687 62.100 -0.189 0.000 1.127 238 T CB -0.309 68.396 68.868 -0.272 0.000 0.883 238 T HN 0.193 nan 8.240 nan 0.000 0.493 239 S N -1.074 114.645 115.700 0.031 0.000 2.579 239 S HA 0.609 5.079 4.470 0.001 0.000 0.272 239 S C 1.252 175.802 174.600 -0.083 0.000 1.141 239 S CA -0.502 57.648 58.200 -0.083 0.000 0.843 239 S CB 1.622 64.612 63.200 -0.350 0.000 1.122 239 S HN 0.252 nan 8.310 nan 0.000 0.468 240 G N 1.644 110.396 108.800 -0.080 0.000 2.459 240 G HA2 -0.253 3.707 3.960 0.001 0.000 0.217 240 G HA3 -0.253 3.707 3.960 0.001 0.000 0.217 240 G C 0.919 175.771 174.900 -0.081 0.000 1.183 240 G CA 1.641 46.711 45.100 -0.050 0.000 0.776 240 G HN 0.852 nan 8.290 nan 0.000 0.552 241 D N -0.209 120.091 120.400 -0.167 0.000 2.351 241 D HA -0.105 4.535 4.640 0.001 0.000 0.216 241 D C 1.636 177.852 176.300 -0.140 0.000 0.968 241 D CA 0.788 54.690 54.000 -0.164 0.000 0.899 241 D CB -0.689 40.003 40.800 -0.180 0.000 0.907 241 D HN 0.398 nan 8.370 nan 0.000 0.514 242 H N 0.299 119.346 119.070 -0.038 0.000 2.548 242 H HA 0.194 4.751 4.556 0.001 0.000 0.268 242 H C 0.379 175.688 175.328 -0.033 0.000 0.975 242 H CA 0.120 56.136 56.048 -0.053 0.000 1.195 242 H CB -0.110 29.592 29.762 -0.100 0.000 1.397 242 H HN 0.185 nan 8.280 nan 0.000 0.572 243 R N 0.928 121.478 120.500 0.083 0.000 2.570 243 R HA 0.028 4.369 4.340 0.001 0.000 0.277 243 R C 1.290 177.629 176.300 0.066 0.000 1.039 243 R CA -0.192 55.952 56.100 0.073 0.000 1.065 243 R CB 1.047 31.384 30.300 0.061 0.000 0.964 243 R HN 0.164 nan 8.270 nan 0.000 0.428 244 L N 2.264 123.527 121.223 0.066 0.000 2.131 244 L HA -0.213 4.127 4.340 0.001 0.000 0.210 244 L C 1.107 178.013 176.870 0.061 0.000 1.092 244 L CA 1.491 56.370 54.840 0.064 0.000 0.759 244 L CB -0.254 41.843 42.059 0.063 0.000 0.903 244 L HN 0.691 nan 8.230 nan 0.000 0.435 245 D N -1.123 119.311 120.400 0.056 0.000 2.133 245 D HA -0.240 4.401 4.640 0.001 0.000 0.195 245 D C 2.291 178.618 176.300 0.046 0.000 0.997 245 D CA 1.677 55.706 54.000 0.048 0.000 0.840 245 D CB -0.011 40.813 40.800 0.040 0.000 0.947 245 D HN 0.138 nan 8.370 nan 0.000 0.452 246 S N -0.443 115.282 115.700 0.041 0.000 2.357 246 S HA -0.164 4.306 4.470 0.001 0.000 0.221 246 S C 1.895 176.521 174.600 0.043 0.000 1.031 246 S CA 0.943 59.163 58.200 0.032 0.000 0.982 246 S CB -0.125 63.084 63.200 0.015 0.000 0.853 246 S HN 0.202 nan 8.310 nan 0.000 0.458 247 Q N 0.391 120.225 119.800 0.055 0.000 2.050 247 Q HA -0.037 4.303 4.340 0.001 0.000 0.202 247 Q C 2.323 178.376 176.000 0.089 0.000 0.980 247 Q CA 1.645 57.493 55.803 0.075 0.000 0.840 247 Q CB -0.380 28.412 28.738 0.091 0.000 0.898 247 Q HN 0.505 nan 8.270 nan 0.000 0.424 248 L N 0.258 121.529 121.223 0.079 0.000 2.093 248 L HA -0.160 4.181 4.340 0.001 0.000 0.208 248 L C 2.508 179.419 176.870 0.069 0.000 1.085 248 L CA 0.903 55.788 54.840 0.076 0.000 0.755 248 L CB -0.573 41.525 42.059 0.064 0.000 0.904 248 L HN 0.204 nan 8.230 nan 0.000 0.435 249 A N 0.155 123.012 122.820 0.062 0.000 1.873 249 A HA -0.153 4.167 4.320 0.001 0.000 0.215 249 A C 2.585 180.206 177.584 0.061 0.000 1.186 249 A CA 1.634 53.706 52.037 0.059 0.000 0.616 249 A CB -0.781 18.252 19.000 0.054 0.000 0.823 249 A HN 0.369 nan 8.150 nan 0.000 0.442 250 A N -0.098 122.759 122.820 0.061 0.000 1.892 250 A HA 0.049 4.369 4.320 0.001 0.000 0.218 250 A C 2.493 180.129 177.584 0.087 0.000 1.188 250 A CA 2.503 54.579 52.037 0.064 0.000 0.631 250 A CB -1.006 18.027 19.000 0.055 0.000 0.822 250 A HN 1.100 nan 8.150 nan 0.000 0.447 251 A N -1.072 121.816 122.820 0.113 0.000 1.930 251 A HA 0.139 4.460 4.320 0.001 0.000 0.215 251 A C 2.191 179.828 177.584 0.088 0.000 1.176 251 A CA 1.515 53.637 52.037 0.142 0.000 0.632 251 A CB -0.670 18.436 19.000 0.177 0.000 0.819 251 A HN 0.379 nan 8.150 nan 0.000 0.445 252 V N -0.817 119.135 119.914 0.065 0.000 2.453 252 V HA -0.180 3.940 4.120 0.001 0.000 0.247 252 V C 2.481 178.599 176.094 0.041 0.000 1.048 252 V CA 2.148 64.475 62.300 0.044 0.000 1.049 252 V CB -0.470 31.376 31.823 0.039 0.000 0.672 252 V HN 0.643 nan 8.190 nan 0.000 0.457 253 M N 0.901 120.529 119.600 0.047 0.000 2.506 253 M HA 0.188 4.668 4.480 0.001 0.000 0.260 253 M C 1.727 178.050 176.300 0.038 0.000 1.104 253 M CA 1.256 56.580 55.300 0.040 0.000 1.112 253 M CB -0.251 32.376 32.600 0.044 0.000 1.401 253 M HN 0.231 nan 8.290 nan 0.000 0.473 254 G N 0.252 109.082 108.800 0.050 0.000 2.679 254 G HA2 0.107 4.067 3.960 0.001 0.000 0.212 254 G HA3 0.107 4.067 3.960 0.001 0.000 0.212 254 G C 0.541 175.467 174.900 0.045 0.000 1.137 254 G CA -0.095 45.036 45.100 0.052 0.000 0.787 254 G HN 0.427 nan 8.290 nan 0.000 0.534 255 I N 0.623 121.215 120.570 0.036 0.000 2.634 255 I HA 0.092 4.262 4.170 0.001 0.000 0.284 255 I C 0.202 176.325 176.117 0.010 0.000 1.124 255 I CA -0.587 60.727 61.300 0.022 0.000 1.417 255 I CB 1.047 39.055 38.000 0.013 0.000 1.396 255 I HN -0.002 nan 8.210 nan 0.000 0.571 256 Q N 4.739 124.542 119.800 0.005 0.000 2.274 256 Q HA 0.266 4.607 4.340 0.001 0.000 0.280 256 Q C 0.722 176.709 176.000 -0.022 0.000 1.047 256 Q CA 1.057 56.856 55.803 -0.007 0.000 0.907 256 Q CB 0.520 29.258 28.738 -0.000 0.000 1.171 256 Q HN 0.807 nan 8.270 nan 0.000 0.381 257 A N 2.367 125.162 122.820 -0.041 0.000 3.384 257 A HA -0.161 4.160 4.320 0.001 0.000 0.260 257 A C 0.025 177.590 177.584 -0.033 0.000 1.168 257 A CA 0.237 52.242 52.037 -0.054 0.000 1.253 257 A CB -1.790 17.174 19.000 -0.060 0.000 1.122 257 A HN 0.522 nan 8.150 nan 0.000 0.934 258 I N 0.700 121.259 120.570 -0.018 0.000 2.436 258 I HA 0.229 4.399 4.170 0.001 0.000 0.289 258 I C 1.101 177.214 176.117 -0.007 0.000 1.083 258 I CA 0.363 61.658 61.300 -0.009 0.000 1.372 258 I CB 0.927 38.930 38.000 0.004 0.000 1.408 258 I HN 0.129 nan 8.210 nan 0.000 0.516 259 K N 4.198 124.589 120.400 -0.014 0.000 2.374 259 K HA 0.362 4.682 4.320 0.001 0.000 0.202 259 K C 0.530 177.124 176.600 -0.011 0.000 1.040 259 K CA 0.031 56.309 56.287 -0.014 0.000 1.085 259 K CB 1.407 33.890 32.500 -0.029 0.000 0.873 259 K HN 0.757 nan 8.250 nan 0.000 0.539 260 G N 0.159 108.956 108.800 -0.004 0.000 2.759 260 G HA2 0.462 4.422 3.960 0.001 0.000 0.297 260 G HA3 0.462 4.422 3.960 0.001 0.000 0.297 260 G C -1.844 173.084 174.900 0.047 0.000 1.434 260 G CA -0.423 44.684 45.100 0.012 0.000 0.980 260 G HN -0.080 nan 8.290 nan 0.000 0.531 261 V N 1.005 120.982 119.914 0.105 0.000 2.841 261 V HA 0.926 5.047 4.120 0.001 0.000 0.310 261 V C -1.059 175.140 176.094 0.175 0.000 1.090 261 V CA -0.749 61.616 62.300 0.108 0.000 0.930 261 V CB 1.953 33.824 31.823 0.079 0.000 1.014 261 V HN 1.055 nan 8.190 nan 0.000 0.425 262 E N 6.391 126.681 120.200 0.150 0.000 2.317 262 E HA 0.579 4.929 4.350 0.001 0.000 0.270 262 E C -1.516 175.140 176.600 0.093 0.000 0.885 262 E CA -1.065 55.429 56.400 0.156 0.000 0.760 262 E CB 2.443 32.291 29.700 0.246 0.000 1.227 262 E HN 0.485 nan 8.360 nan 0.000 0.434 263 I N 2.204 122.814 120.570 0.066 0.000 2.353 263 I HA 0.301 4.472 4.170 0.001 0.000 0.293 263 I C 1.480 177.630 176.117 0.054 0.000 0.992 263 I CA 0.625 61.959 61.300 0.056 0.000 1.268 263 I CB 0.162 38.190 38.000 0.047 0.000 1.387 263 I HN 1.052 nan 8.210 nan 0.000 0.478 264 G N 6.850 115.685 108.800 0.058 0.000 2.661 264 G HA2 -0.334 3.626 3.960 0.001 0.000 0.327 264 G HA3 -0.334 3.626 3.960 0.001 0.000 0.327 264 G C 0.530 175.462 174.900 0.054 0.000 1.320 264 G CA 0.644 45.777 45.100 0.056 0.000 0.997 264 G HN 0.603 nan 8.290 nan 0.000 0.543 265 D N 2.485 122.910 120.400 0.041 0.000 2.363 265 D HA 0.279 4.919 4.640 0.001 0.000 0.226 265 D C 2.063 178.395 176.300 0.053 0.000 1.020 265 D CA 1.894 55.918 54.000 0.040 0.000 0.892 265 D CB -0.669 40.143 40.800 0.019 0.000 0.900 265 D HN 1.078 nan 8.370 nan 0.000 0.531 266 G N 1.595 110.422 108.800 0.044 0.000 2.686 266 G HA2 -0.433 3.528 3.960 0.001 0.000 0.359 266 G HA3 -0.433 3.528 3.960 0.001 0.000 0.359 266 G C 1.146 176.025 174.900 -0.036 0.000 1.222 266 G CA 0.785 45.898 45.100 0.022 0.000 0.956 266 G HN 0.335 nan 8.290 nan 0.000 0.565 267 F N 0.671 120.624 119.950 0.005 0.000 2.307 267 F HA -0.048 4.480 4.527 0.001 0.000 0.301 267 F C 2.954 178.751 175.800 -0.004 0.000 1.076 267 F CA 2.030 60.031 58.000 0.002 0.000 1.383 267 F CB -0.140 38.862 39.000 0.002 0.000 1.055 267 F HN 0.270 nan 8.300 nan 0.000 0.526 268 Q N 0.174 120.064 119.800 0.150 0.000 2.096 268 Q HA -0.087 4.253 4.340 0.001 0.000 0.197 268 Q C 2.225 178.237 176.000 0.020 0.000 0.964 268 Q CA 1.889 57.738 55.803 0.076 0.000 0.838 268 Q CB -0.892 27.881 28.738 0.058 0.000 0.906 268 Q HN 0.262 nan 8.270 nan 0.000 0.444 269 T N 0.732 115.284 114.554 -0.005 0.000 2.714 269 T HA -0.227 4.124 4.350 0.001 0.000 0.268 269 T C 1.498 176.161 174.700 -0.062 0.000 1.036 269 T CA 1.648 63.718 62.100 -0.051 0.000 1.148 269 T CB -0.427 68.405 68.868 -0.060 0.000 0.856 269 T HN 0.425 nan 8.240 nan 0.000 0.462 270 A N 0.743 123.527 122.820 -0.060 0.000 2.206 270 A HA 0.072 4.392 4.320 0.001 0.000 0.211 270 A C 2.131 179.699 177.584 -0.025 0.000 1.158 270 A CA 0.586 52.582 52.037 -0.068 0.000 0.761 270 A CB -0.221 18.703 19.000 -0.125 0.000 0.801 270 A HN 0.445 nan 8.150 nan 0.000 0.473 271 R N -0.978 119.517 120.500 -0.009 0.000 2.397 271 R HA 0.210 4.550 4.340 0.001 0.000 0.241 271 R C 0.324 176.617 176.300 -0.012 0.000 0.914 271 R CA -0.132 55.970 56.100 0.003 0.000 1.071 271 R CB 0.479 30.793 30.300 0.024 0.000 1.116 271 R HN 0.342 nan 8.270 nan 0.000 0.524 272 R N 0.584 121.065 120.500 -0.033 0.000 2.700 272 R HA 0.403 4.744 4.340 0.001 0.000 0.253 272 R C -0.065 176.204 176.300 -0.052 0.000 1.091 272 R CA -0.732 55.342 56.100 -0.044 0.000 1.104 272 R CB 1.079 31.338 30.300 -0.068 0.000 1.202 272 R HN -0.108 nan 8.270 nan 0.000 0.532 273 R N -0.621 119.849 120.500 -0.051 0.000 2.536 273 R HA 0.190 4.531 4.340 0.001 0.000 0.279 273 R C 1.311 177.570 176.300 -0.069 0.000 1.001 273 R CA -0.201 55.874 56.100 -0.042 0.000 1.027 273 R CB 1.038 31.325 30.300 -0.021 0.000 1.096 273 R HN 0.851 nan 8.270 nan 0.000 0.502 274 G N 0.418 109.197 108.800 -0.034 0.000 2.469 274 G HA2 -0.330 3.630 3.960 0.001 0.000 0.220 274 G HA3 -0.330 3.630 3.960 0.001 0.000 0.220 274 G C 1.426 176.322 174.900 -0.007 0.000 1.136 274 G CA 1.269 46.365 45.100 -0.008 0.000 0.759 274 G HN 0.670 nan 8.290 nan 0.000 0.562 275 S N 0.682 116.383 115.700 0.002 0.000 2.419 275 S HA -0.089 4.381 4.470 0.001 0.000 0.235 275 S C 1.912 176.507 174.600 -0.008 0.000 1.019 275 S CA 1.237 59.445 58.200 0.012 0.000 0.982 275 S CB -0.176 63.031 63.200 0.012 0.000 0.789 275 S HN 0.598 nan 8.310 nan 0.000 0.490 276 R N -0.013 120.457 120.500 -0.049 0.000 2.565 276 R HA 0.563 4.903 4.340 0.001 0.000 0.347 276 R C 1.454 177.691 176.300 -0.105 0.000 1.010 276 R CA 0.469 56.540 56.100 -0.049 0.000 1.126 276 R CB 0.243 30.525 30.300 -0.029 0.000 1.331 276 R HN 0.404 nan 8.270 nan 0.000 0.552 277 A N 0.624 123.303 122.820 -0.235 0.000 2.115 277 A HA 0.169 4.490 4.320 0.001 0.000 0.211 277 A C 0.444 177.747 177.584 -0.468 0.000 1.169 277 A CA 0.345 52.135 52.037 -0.412 0.000 0.787 277 A CB 0.047 18.666 19.000 -0.634 0.000 0.858 277 A HN 0.187 nan 8.150 nan 0.000 0.474 278 H N -0.815 118.258 119.070 0.005 0.000 2.896 278 H HA 0.435 4.992 4.556 0.001 0.000 0.318 278 H C -1.457 173.879 175.328 0.014 0.000 1.409 278 H CA -0.973 55.077 56.048 0.005 0.000 1.328 278 H CB 0.636 30.394 29.762 -0.007 0.000 1.940 278 H HN 0.095 nan 8.280 nan 0.000 0.665 279 D N 1.445 121.944 120.400 0.164 0.000 2.461 279 D HA 0.187 4.828 4.640 0.001 0.000 0.240 279 D C -0.180 176.158 176.300 0.063 0.000 1.094 279 D CA -0.337 53.725 54.000 0.103 0.000 0.868 279 D CB 1.228 42.082 40.800 0.089 0.000 1.062 279 D HN 0.390 nan 8.370 nan 0.000 0.530 280 E N 1.415 121.647 120.200 0.054 0.000 2.390 280 E HA 0.257 4.608 4.350 0.001 0.000 0.261 280 E C 0.109 176.571 176.600 -0.229 0.000 1.076 280 E CA -0.027 56.306 56.400 -0.111 0.000 0.905 280 E CB 1.284 30.888 29.700 -0.160 0.000 0.984 280 E HN 0.276 nan 8.360 nan 0.000 0.427 281 M N 2.045 121.410 119.600 -0.391 0.000 2.336 281 M HA 0.361 4.841 4.480 0.001 0.000 0.342 281 M C -1.277 174.646 176.300 -0.629 0.000 1.128 281 M CA -0.380 54.736 55.300 -0.306 0.000 1.016 281 M CB 0.896 33.407 32.600 -0.148 0.000 1.665 281 M HN 0.433 nan 8.290 nan 0.000 0.445 282 Y N 1.370 121.676 120.300 0.010 0.000 2.570 282 Y HA 0.604 5.154 4.550 0.001 0.000 0.345 282 Y C -2.375 173.529 175.900 0.006 0.000 1.014 282 Y CA -2.502 55.603 58.100 0.008 0.000 1.063 282 Y CB 0.903 39.368 38.460 0.009 0.000 1.272 282 Y HN 0.453 nan 8.280 nan 0.000 0.477 283 P HA 0.376 nan 4.420 nan 0.000 0.274 283 P C -0.437 176.913 177.300 0.084 0.000 1.231 283 P CA -0.257 62.894 63.100 0.084 0.000 0.790 283 P CB 0.976 32.713 31.700 0.061 0.000 0.951 284 G N 0.920 109.752 108.800 0.054 0.000 2.660 284 G HA2 0.449 4.409 3.960 0.001 0.000 0.294 284 G HA3 0.449 4.409 3.960 0.001 0.000 0.294 284 G C -2.191 172.725 174.900 0.027 0.000 1.369 284 G CA -1.331 43.795 45.100 0.044 0.000 0.912 284 G HN 0.185 nan 8.290 nan 0.000 0.479 285 P HA -0.029 nan 4.420 nan 0.000 0.221 285 P C -0.191 177.115 177.300 0.010 0.000 1.141 285 P CA 1.506 64.613 63.100 0.012 0.000 0.794 285 P CB 0.161 31.866 31.700 0.008 0.000 0.764 286 D N -2.346 118.061 120.400 0.012 0.000 2.684 286 D HA 0.371 5.011 4.640 0.001 0.000 0.233 286 D C -0.284 176.021 176.300 0.008 0.000 1.374 286 D CA -0.173 53.831 54.000 0.007 0.000 0.906 286 D CB 0.194 40.995 40.800 0.002 0.000 1.526 286 D HN 0.194 nan 8.370 nan 0.000 0.518 287 G N -0.058 108.748 108.800 0.011 0.000 2.592 287 G HA2 0.318 4.278 3.960 0.001 0.000 0.685 287 G HA3 0.318 4.278 3.960 0.001 0.000 0.685 287 G C -0.287 174.629 174.900 0.026 0.000 1.278 287 G CA -0.500 44.608 45.100 0.013 0.000 0.822 287 G HN 1.227 nan 8.290 nan 0.000 0.652 288 V N 0.205 120.135 119.914 0.026 0.000 2.901 288 V HA 0.669 4.790 4.120 0.001 0.000 0.307 288 V C 0.912 177.041 176.094 0.058 0.000 1.084 288 V CA 0.804 63.128 62.300 0.040 0.000 1.184 288 V CB 1.170 33.006 31.823 0.021 0.000 0.941 288 V HN 2.247 nan 8.190 nan 0.000 0.493 289 V N 3.535 123.506 119.914 0.094 0.000 2.962 289 V HA 0.821 4.941 4.120 0.001 0.000 0.313 289 V C -0.362 175.841 176.094 0.182 0.000 1.099 289 V CA -1.105 61.261 62.300 0.110 0.000 0.971 289 V CB 1.938 33.815 31.823 0.090 0.000 1.028 289 V HN 1.131 nan 8.190 nan 0.000 0.430 290 R N 1.576 122.171 120.500 0.158 0.000 2.867 290 R HA 0.697 5.038 4.340 0.001 0.000 0.268 290 R C 0.314 176.709 176.300 0.157 0.000 1.014 290 R CA -0.080 56.142 56.100 0.204 0.000 0.946 290 R CB 2.212 32.587 30.300 0.125 0.000 1.208 290 R HN 0.965 nan 8.270 nan 0.000 0.477 291 S N -1.828 113.974 115.700 0.170 0.000 2.666 291 S HA 0.057 4.527 4.470 0.001 0.000 0.239 291 S C 0.424 175.068 174.600 0.074 0.000 1.031 291 S CA -0.133 58.113 58.200 0.077 0.000 1.015 291 S CB 0.402 63.606 63.200 0.006 0.000 0.981 291 S HN 0.688 nan 8.310 nan 0.000 0.547 292 T N -0.137 114.474 114.554 0.095 0.000 2.907 292 T HA 0.648 4.998 4.350 0.001 0.000 0.290 292 T C -0.656 174.086 174.700 0.069 0.000 1.066 292 T CA -0.707 61.435 62.100 0.071 0.000 1.012 292 T CB 1.653 70.561 68.868 0.066 0.000 1.184 292 T HN 0.038 nan 8.240 nan 0.000 0.522 293 N N -0.859 117.875 118.700 0.057 0.000 2.628 293 N HA 0.191 4.932 4.740 0.001 0.000 0.299 293 N C 1.176 176.718 175.510 0.053 0.000 1.834 293 N CA -0.620 52.465 53.050 0.059 0.000 0.871 293 N CB 0.233 38.755 38.487 0.057 0.000 1.377 293 N HN 0.594 nan 8.380 nan 0.000 0.493 294 R N -0.553 119.975 120.500 0.048 0.000 2.170 294 R HA -0.058 4.282 4.340 0.001 0.000 0.242 294 R C 1.346 177.673 176.300 0.045 0.000 1.145 294 R CA 1.501 57.622 56.100 0.035 0.000 0.984 294 R CB -0.186 30.122 30.300 0.012 0.000 0.869 294 R HN 0.249 nan 8.270 nan 0.000 0.455 295 A N 0.768 123.625 122.820 0.062 0.000 2.169 295 A HA 0.232 4.552 4.320 0.001 0.000 0.212 295 A C 1.558 179.178 177.584 0.060 0.000 1.153 295 A CA 0.623 52.701 52.037 0.069 0.000 0.756 295 A CB -0.133 18.916 19.000 0.082 0.000 0.813 295 A HN 0.448 nan 8.150 nan 0.000 0.471 296 G N -1.769 107.066 108.800 0.058 0.000 2.249 296 G HA2 0.131 4.092 3.960 0.001 0.000 0.273 296 G HA3 0.131 4.092 3.960 0.001 0.000 0.273 296 G C 1.426 176.362 174.900 0.060 0.000 1.036 296 G CA 0.919 46.054 45.100 0.059 0.000 0.824 296 G HN 2.075 nan 8.290 nan 0.000 0.504 297 G N -2.783 106.054 108.800 0.061 0.000 2.175 297 G HA2 -0.015 3.946 3.960 0.001 0.000 0.244 297 G HA3 -0.015 3.946 3.960 0.001 0.000 0.244 297 G C 0.036 174.974 174.900 0.063 0.000 0.982 297 G CA 0.523 45.660 45.100 0.062 0.000 0.641 297 G HN 1.339 nan 8.290 nan 0.000 0.527 298 L N 1.044 122.303 121.223 0.061 0.000 2.356 298 L HA 0.703 5.043 4.340 0.001 0.000 0.277 298 L C -0.232 176.672 176.870 0.057 0.000 0.996 298 L CA -1.070 53.807 54.840 0.061 0.000 0.822 298 L CB 1.690 43.785 42.059 0.059 0.000 1.256 298 L HN 0.273 nan 8.230 nan 0.000 0.413 299 E N 1.801 122.034 120.200 0.054 0.000 2.263 299 E HA 0.534 4.884 4.350 0.001 0.000 0.268 299 E C 0.325 176.951 176.600 0.044 0.000 0.884 299 E CA -0.216 56.205 56.400 0.035 0.000 0.766 299 E CB 1.924 31.633 29.700 0.016 0.000 1.196 299 E HN 0.767 nan 8.360 nan 0.000 0.416 300 G N 2.069 110.891 108.800 0.037 0.000 2.168 300 G HA2 -0.304 3.656 3.960 0.001 0.000 0.263 300 G HA3 -0.304 3.656 3.960 0.001 0.000 0.263 300 G C 0.860 175.843 174.900 0.139 0.000 0.977 300 G CA 0.396 45.534 45.100 0.063 0.000 0.659 300 G HN 1.299 nan 8.290 nan 0.000 0.533 301 G N -1.894 106.967 108.800 0.102 0.000 2.141 301 G HA2 -0.098 3.862 3.960 0.001 0.000 0.231 301 G HA3 -0.098 3.862 3.960 0.001 0.000 0.231 301 G C 0.117 175.075 174.900 0.097 0.000 0.984 301 G CA 0.971 46.131 45.100 0.099 0.000 0.660 301 G HN 1.167 nan 8.290 nan 0.000 0.525 302 M N 0.786 120.447 119.600 0.102 0.000 2.690 302 M HA 0.539 5.019 4.480 0.001 0.000 0.302 302 M C 0.569 176.918 176.300 0.081 0.000 1.234 302 M CA -0.525 54.830 55.300 0.092 0.000 0.853 302 M CB 2.052 34.724 32.600 0.120 0.000 1.748 302 M HN 0.258 nan 8.290 nan 0.000 0.469 303 T N -0.719 113.882 114.554 0.079 0.000 2.851 303 T HA 0.232 4.582 4.350 0.001 0.000 0.298 303 T C 0.324 175.078 174.700 0.090 0.000 0.977 303 T CA -0.724 61.426 62.100 0.083 0.000 1.126 303 T CB -0.024 68.899 68.868 0.091 0.000 0.916 303 T HN 0.761 nan 8.240 nan 0.000 0.529 304 N N 1.170 119.918 118.700 0.079 0.000 2.238 304 N HA 0.282 5.022 4.740 0.001 0.000 0.222 304 N C 1.370 176.925 175.510 0.076 0.000 1.133 304 N CA -0.029 53.067 53.050 0.076 0.000 0.854 304 N CB 0.077 38.599 38.487 0.059 0.000 1.041 304 N HN 1.078 nan 8.380 nan 0.000 0.510 305 G N -0.658 108.192 108.800 0.083 0.000 2.299 305 G HA2 -0.290 3.670 3.960 0.001 0.000 0.237 305 G HA3 -0.290 3.670 3.960 0.001 0.000 0.237 305 G C -0.036 174.901 174.900 0.063 0.000 1.027 305 G CA -0.026 45.120 45.100 0.076 0.000 0.619 305 G HN 0.398 nan 8.290 nan 0.000 0.513 306 Q N 1.444 121.281 119.800 0.061 0.000 2.417 306 Q HA 0.417 4.757 4.340 0.001 0.000 0.241 306 Q C -2.162 173.870 176.000 0.054 0.000 1.008 306 Q CA -1.787 54.050 55.803 0.056 0.000 0.901 306 Q CB -0.085 28.688 28.738 0.058 0.000 1.259 306 Q HN 0.255 nan 8.270 nan 0.000 0.489 307 P HA -0.067 nan 4.420 nan 0.000 0.263 307 P C -0.493 176.839 177.300 0.053 0.000 1.175 307 P CA 0.281 63.408 63.100 0.046 0.000 0.761 307 P CB 0.351 32.076 31.700 0.042 0.000 0.794 308 L N 5.099 126.355 121.223 0.054 0.000 2.319 308 L HA 0.272 4.612 4.340 0.001 0.000 0.280 308 L C 0.189 177.095 176.870 0.059 0.000 1.099 308 L CA -0.207 54.668 54.840 0.057 0.000 0.828 308 L CB 0.175 42.268 42.059 0.056 0.000 1.150 308 L HN 0.382 nan 8.230 nan 0.000 0.442 309 R N 4.342 124.880 120.500 0.063 0.000 2.388 309 R HA 0.525 4.865 4.340 0.001 0.000 0.314 309 R C -1.334 175.003 176.300 0.063 0.000 0.959 309 R CA -0.562 55.580 56.100 0.071 0.000 0.851 309 R CB 2.068 32.416 30.300 0.079 0.000 1.168 309 R HN 0.381 nan 8.270 nan 0.000 0.472 310 V N 3.982 123.930 119.914 0.056 0.000 2.487 310 V HA 0.490 4.610 4.120 0.001 0.000 0.298 310 V C -0.071 176.045 176.094 0.038 0.000 1.028 310 V CA -0.853 61.477 62.300 0.049 0.000 0.860 310 V CB 1.925 33.775 31.823 0.045 0.000 0.991 310 V HN 0.656 nan 8.190 nan 0.000 0.427 311 R N 2.963 123.488 120.500 0.042 0.000 2.480 311 R HA 0.815 5.155 4.340 0.001 0.000 0.306 311 R C -0.581 175.736 176.300 0.029 0.000 0.958 311 R CA -0.471 55.644 56.100 0.025 0.000 0.861 311 R CB 2.289 32.610 30.300 0.035 0.000 1.171 311 R HN 0.800 nan 8.270 nan 0.000 0.445 312 A N 1.825 124.651 122.820 0.010 0.000 2.330 312 A HA 0.738 5.059 4.320 0.001 0.000 0.327 312 A C -0.564 177.015 177.584 -0.007 0.000 1.155 312 A CA -0.662 51.380 52.037 0.009 0.000 0.803 312 A CB 1.508 20.512 19.000 0.007 0.000 1.208 312 A HN 0.753 nan 8.150 nan 0.000 0.477 313 A N 2.852 125.665 122.820 -0.013 0.000 2.252 313 A HA 0.608 4.929 4.320 0.001 0.000 0.309 313 A C -0.134 177.434 177.584 -0.027 0.000 1.285 313 A CA -0.245 51.773 52.037 -0.030 0.000 0.900 313 A CB 0.021 18.988 19.000 -0.056 0.000 1.157 313 A HN 1.031 nan 8.150 nan 0.000 0.536 314 M N 4.414 123.998 119.600 -0.026 0.000 2.205 314 M HA 0.385 4.865 4.480 0.001 0.000 0.344 314 M C 0.164 176.446 176.300 -0.030 0.000 1.085 314 M CA -0.601 54.683 55.300 -0.025 0.000 1.001 314 M CB 1.063 33.651 32.600 -0.021 0.000 1.626 314 M HN 0.768 nan 8.290 nan 0.000 0.442 315 K N 5.021 125.400 120.400 -0.036 0.000 2.138 315 K HA 0.580 4.900 4.320 0.001 0.000 0.251 315 K C -2.811 173.770 176.600 -0.032 0.000 1.015 315 K CA -1.487 54.778 56.287 -0.037 0.000 0.917 315 K CB -0.094 32.379 32.500 -0.045 0.000 1.021 315 K HN 0.287 nan 8.250 nan 0.000 0.485 316 P HA 0.053 nan 4.420 nan 0.000 0.271 316 P C -0.000 177.294 177.300 -0.010 0.000 1.226 316 P CA -0.178 62.913 63.100 -0.015 0.000 0.765 316 P CB 0.376 32.071 31.700 -0.010 0.000 0.835 317 I N -0.361 120.212 120.570 0.004 0.000 2.585 317 I HA -0.014 4.157 4.170 0.001 0.000 0.254 317 I C 0.619 176.826 176.117 0.151 0.000 1.129 317 I CA 0.615 61.931 61.300 0.028 0.000 1.455 317 I CB -0.591 37.433 38.000 0.041 0.000 1.111 317 I HN 0.107 nan 8.210 nan 0.000 0.433 318 S N 1.807 117.570 115.700 0.104 0.000 2.505 318 S HA 0.199 4.670 4.470 0.001 0.000 0.276 318 S C 0.295 174.969 174.600 0.123 0.000 1.274 318 S CA -0.334 57.938 58.200 0.120 0.000 1.053 318 S CB 0.577 63.812 63.200 0.058 0.000 0.919 318 S HN 0.222 nan 8.310 nan 0.000 0.490 319 T N 3.190 117.842 114.554 0.163 0.000 2.916 319 T HA 0.137 4.488 4.350 0.001 0.000 0.303 319 T C 0.378 175.109 174.700 0.051 0.000 1.025 319 T CA -0.384 61.794 62.100 0.130 0.000 1.142 319 T CB 0.226 69.177 68.868 0.139 0.000 0.947 319 T HN 0.378 nan 8.240 nan 0.000 0.544 320 V N 7.695 127.623 119.914 0.024 0.000 2.446 320 V HA 0.071 4.191 4.120 0.001 0.000 0.276 320 V C -1.155 174.917 176.094 -0.037 0.000 1.030 320 V CA -1.344 60.938 62.300 -0.029 0.000 1.033 320 V CB 0.583 32.397 31.823 -0.015 0.000 0.993 320 V HN 0.741 nan 8.190 nan 0.000 0.477 321 P HA -0.203 nan 4.420 nan 0.000 0.219 321 P C 1.262 178.567 177.300 0.009 0.000 1.159 321 P CA 1.810 64.836 63.100 -0.123 0.000 0.944 321 P CB 0.114 31.671 31.700 -0.239 0.000 0.792 322 R N -2.634 117.864 120.500 -0.003 0.000 2.508 322 R HA 0.372 4.712 4.340 0.001 0.000 0.300 322 R C 1.561 177.871 176.300 0.017 0.000 0.970 322 R CA 0.228 56.341 56.100 0.021 0.000 1.102 322 R CB 0.161 30.473 30.300 0.020 0.000 1.246 322 R HN 0.080 nan 8.270 nan 0.000 0.539 323 A N 0.315 123.141 122.820 0.010 0.000 2.178 323 A HA 0.204 4.524 4.320 0.001 0.000 0.211 323 A C 0.449 178.041 177.584 0.012 0.000 1.157 323 A CA 0.354 52.396 52.037 0.008 0.000 0.780 323 A CB 0.225 19.225 19.000 0.001 0.000 0.828 323 A HN 0.116 nan 8.150 nan 0.000 0.476 324 L N 0.814 122.049 121.223 0.020 0.000 2.298 324 L HA 0.580 4.920 4.340 0.001 0.000 0.284 324 L C 0.360 177.240 176.870 0.017 0.000 1.013 324 L CA -0.682 54.171 54.840 0.020 0.000 0.824 324 L CB 1.597 43.677 42.059 0.034 0.000 1.221 324 L HN 0.186 nan 8.230 nan 0.000 0.418 325 A N 2.675 125.499 122.820 0.007 0.000 2.425 325 A HA 0.643 4.963 4.320 0.001 0.000 0.249 325 A C 0.137 177.716 177.584 -0.007 0.000 1.084 325 A CA 0.111 52.148 52.037 0.000 0.000 0.781 325 A CB 1.009 20.006 19.000 -0.005 0.000 1.019 325 A HN 0.675 nan 8.150 nan 0.000 0.490 326 T N 0.102 114.650 114.554 -0.010 0.000 2.645 326 T HA 0.541 4.891 4.350 0.001 0.000 0.300 326 T C -1.315 173.371 174.700 -0.024 0.000 1.210 326 T CA -0.276 61.809 62.100 -0.025 0.000 1.034 326 T CB 0.845 69.709 68.868 -0.006 0.000 1.537 326 T HN 0.779 nan 8.240 nan 0.000 0.492 327 V N 2.394 122.288 119.914 -0.033 0.000 2.715 327 V HA 0.507 4.627 4.120 0.001 0.000 0.310 327 V C -0.671 175.431 176.094 0.013 0.000 1.054 327 V CA -0.768 61.522 62.300 -0.017 0.000 0.928 327 V CB 1.807 33.606 31.823 -0.040 0.000 1.007 327 V HN 0.904 nan 8.190 nan 0.000 0.437 328 D N 3.507 123.920 120.400 0.023 0.000 2.380 328 D HA 0.232 4.872 4.640 0.001 0.000 0.230 328 D C 0.979 177.309 176.300 0.050 0.000 1.154 328 D CA -0.212 53.810 54.000 0.036 0.000 0.859 328 D CB 1.317 42.134 40.800 0.028 0.000 1.045 328 D HN 0.460 nan 8.370 nan 0.000 0.495 329 L N 2.910 124.177 121.223 0.074 0.000 2.450 329 L HA -0.095 4.245 4.340 0.001 0.000 0.224 329 L C 2.161 179.071 176.870 0.067 0.000 1.149 329 L CA 0.503 55.395 54.840 0.088 0.000 0.816 329 L CB -0.591 41.544 42.059 0.127 0.000 0.932 329 L HN 0.390 nan 8.230 nan 0.000 0.449 330 A N 1.223 124.075 122.820 0.053 0.000 1.881 330 A HA -0.232 4.089 4.320 0.001 0.000 0.208 330 A C 2.433 180.039 177.584 0.036 0.000 1.264 330 A CA 2.389 54.451 52.037 0.042 0.000 0.629 330 A CB -1.310 17.710 19.000 0.033 0.000 0.906 330 A HN 0.428 nan 8.150 nan 0.000 0.476 331 T N -2.371 112.201 114.554 0.029 0.000 2.572 331 T HA -0.053 4.297 4.350 0.001 0.000 0.258 331 T C 1.909 176.625 174.700 0.027 0.000 1.154 331 T CA 3.541 65.656 62.100 0.025 0.000 1.157 331 T CB -1.317 67.562 68.868 0.019 0.000 0.856 331 T HN 2.408 nan 8.240 nan 0.000 0.443 332 G N 1.241 110.059 108.800 0.030 0.000 2.175 332 G HA2 -0.167 3.793 3.960 0.001 0.000 0.244 332 G HA3 -0.167 3.793 3.960 0.001 0.000 0.244 332 G C -0.239 174.672 174.900 0.018 0.000 0.982 332 G CA 0.346 45.463 45.100 0.027 0.000 0.641 332 G HN 0.798 nan 8.290 nan 0.000 0.527 333 D N 0.864 121.273 120.400 0.016 0.000 2.388 333 D HA 0.517 5.158 4.640 0.001 0.000 0.254 333 D C 0.921 177.225 176.300 0.007 0.000 1.111 333 D CA -0.403 53.603 54.000 0.010 0.000 0.993 333 D CB 0.598 41.404 40.800 0.010 0.000 1.118 333 D HN 0.501 nan 8.370 nan 0.000 0.502 334 E N -0.424 119.779 120.200 0.004 0.000 2.428 334 E HA 0.458 4.809 4.350 0.001 0.000 0.257 334 E C -0.549 176.054 176.600 0.005 0.000 1.197 334 E CA -0.217 56.183 56.400 0.001 0.000 0.974 334 E CB 0.517 30.217 29.700 -0.001 0.000 0.976 334 E HN 0.455 nan 8.360 nan 0.000 0.463 335 A N -0.094 122.729 122.820 0.005 0.000 2.597 335 A HA 0.471 4.792 4.320 0.001 0.000 0.292 335 A C -1.149 176.442 177.584 0.011 0.000 1.057 335 A CA -0.743 51.300 52.037 0.010 0.000 0.674 335 A CB 0.768 19.776 19.000 0.013 0.000 1.278 335 A HN 0.470 nan 8.150 nan 0.000 0.416 336 V N -0.869 119.055 119.914 0.017 0.000 2.713 336 V HA 0.889 5.010 4.120 0.001 0.000 0.307 336 V C 0.592 176.703 176.094 0.029 0.000 1.052 336 V CA -0.292 62.022 62.300 0.022 0.000 0.967 336 V CB 1.193 33.032 31.823 0.026 0.000 1.019 336 V HN 2.205 nan 8.190 nan 0.000 0.459 337 A N 4.512 127.353 122.820 0.036 0.000 2.451 337 A HA 0.615 4.935 4.320 0.001 0.000 0.266 337 A C -0.065 177.554 177.584 0.059 0.000 1.119 337 A CA -0.293 51.770 52.037 0.043 0.000 0.786 337 A CB -0.558 18.473 19.000 0.051 0.000 1.061 337 A HN 0.835 nan 8.150 nan 0.000 0.503 338 I N 4.977 125.571 120.570 0.040 0.000 2.416 338 I HA 0.145 4.316 4.170 0.001 0.000 0.288 338 I C 1.202 177.337 176.117 0.030 0.000 1.051 338 I CA -0.349 60.974 61.300 0.038 0.000 1.375 338 I CB 0.483 38.469 38.000 -0.022 0.000 1.407 338 I HN 0.815 nan 8.210 nan 0.000 0.516 339 H N 5.239 124.305 119.070 -0.007 0.000 2.660 339 H HA 0.172 4.729 4.556 0.001 0.000 0.374 339 H C -0.053 175.265 175.328 -0.017 0.000 1.291 339 H CA -0.480 55.558 56.048 -0.017 0.000 1.437 339 H CB 1.190 30.953 29.762 0.003 0.000 1.509 339 H HN 0.638 nan 8.280 nan 0.000 0.614 340 Q N -0.421 119.364 119.800 -0.025 0.000 2.063 340 Q HA 0.210 4.550 4.340 0.001 0.000 0.234 340 Q C -0.534 175.482 176.000 0.027 0.000 0.748 340 Q CA 0.017 55.775 55.803 -0.075 0.000 0.915 340 Q CB 0.872 29.553 28.738 -0.095 0.000 1.188 340 Q HN 0.759 nan 8.270 nan 0.000 0.456 341 R N -1.438 119.134 120.500 0.120 0.000 2.912 341 R HA 0.701 5.042 4.340 0.001 0.000 0.262 341 R C 0.028 176.467 176.300 0.231 0.000 1.057 341 R CA -0.371 55.816 56.100 0.146 0.000 0.981 341 R CB 1.321 31.681 30.300 0.099 0.000 1.201 341 R HN -0.187 nan 8.270 nan 0.000 0.484 342 S N -0.215 115.574 115.700 0.148 0.000 2.559 342 S HA 0.062 4.532 4.470 0.001 0.000 0.226 342 S C -0.710 173.907 174.600 0.028 0.000 1.030 342 S CA -0.218 58.045 58.200 0.104 0.000 0.956 342 S CB 0.111 63.378 63.200 0.112 0.000 0.900 342 S HN 0.657 nan 8.310 nan 0.000 0.510 343 D N 1.592 122.006 120.400 0.024 0.000 2.658 343 D HA -0.044 4.596 4.640 0.001 0.000 0.230 343 D C 1.127 177.405 176.300 -0.038 0.000 1.118 343 D CA 0.169 54.160 54.000 -0.014 0.000 0.848 343 D CB 0.769 41.564 40.800 -0.007 0.000 1.160 343 D HN 0.053 nan 8.370 nan 0.000 0.497 344 V N 2.574 122.443 119.914 -0.075 0.000 2.453 344 V HA -0.066 4.055 4.120 0.001 0.000 0.247 344 V C 0.390 176.439 176.094 -0.074 0.000 1.048 344 V CA 1.158 63.409 62.300 -0.080 0.000 1.049 344 V CB 0.265 32.025 31.823 -0.105 0.000 0.672 344 V HN 0.791 nan 8.190 nan 0.000 0.457 345 C N -0.166 119.078 119.300 -0.094 0.000 2.642 345 C HA 0.795 5.255 4.460 0.001 0.000 0.344 345 C C 0.752 175.706 174.990 -0.059 0.000 1.110 345 C CA -0.183 58.789 59.018 -0.076 0.000 1.298 345 C CB 0.865 28.546 27.740 -0.099 0.000 1.827 345 C HN 0.609 nan 8.230 nan 0.000 0.467 346 A N 4.213 127.014 122.820 -0.032 0.000 2.535 346 A HA 0.345 4.666 4.320 0.001 0.000 0.273 346 A C 1.196 178.771 177.584 -0.015 0.000 1.267 346 A CA 0.366 52.391 52.037 -0.020 0.000 0.940 346 A CB -0.057 18.938 19.000 -0.007 0.000 1.101 346 A HN 0.903 nan 8.150 nan 0.000 0.521 347 V N 0.978 120.881 119.914 -0.017 0.000 2.343 347 V HA -0.132 3.989 4.120 0.001 0.000 0.247 347 V C -0.272 175.819 176.094 -0.005 0.000 1.051 347 V CA 2.485 64.778 62.300 -0.012 0.000 1.036 347 V CB -1.299 30.517 31.823 -0.011 0.000 0.654 347 V HN 0.374 nan 8.190 nan 0.000 0.451 348 P HA -0.168 nan 4.420 nan 0.000 0.215 348 P C 1.756 179.063 177.300 0.011 0.000 1.157 348 P CA 2.234 65.343 63.100 0.015 0.000 0.868 348 P CB -0.196 31.521 31.700 0.028 0.000 0.788 349 A N 0.228 123.051 122.820 0.007 0.000 1.883 349 A HA -0.168 4.152 4.320 0.001 0.000 0.217 349 A C 2.396 179.979 177.584 -0.001 0.000 1.186 349 A CA 2.458 54.498 52.037 0.004 0.000 0.624 349 A CB -1.684 17.318 19.000 0.002 0.000 0.822 349 A HN 0.200 nan 8.150 nan 0.000 0.444 350 A N -0.446 122.371 122.820 -0.004 0.000 1.917 350 A HA 0.038 4.359 4.320 0.001 0.000 0.219 350 A C 2.491 180.070 177.584 -0.008 0.000 1.182 350 A CA 2.162 54.195 52.037 -0.007 0.000 0.633 350 A CB -1.605 17.390 19.000 -0.009 0.000 0.819 350 A HN 0.907 nan 8.150 nan 0.000 0.448 351 G N -0.479 108.317 108.800 -0.006 0.000 2.556 351 G HA2 -0.282 3.678 3.960 0.001 0.000 0.220 351 G HA3 -0.282 3.678 3.960 0.001 0.000 0.220 351 G C 1.676 176.574 174.900 -0.003 0.000 1.156 351 G CA 1.982 47.079 45.100 -0.006 0.000 0.766 351 G HN 1.131 nan 8.290 nan 0.000 0.583 352 V N -0.111 119.803 119.914 -0.001 0.000 2.871 352 V HA 0.008 4.128 4.120 0.001 0.000 0.256 352 V C 2.641 178.725 176.094 -0.016 0.000 1.082 352 V CA 1.731 64.028 62.300 -0.005 0.000 1.105 352 V CB -0.018 31.805 31.823 -0.000 0.000 0.713 352 V HN 0.160 nan 8.190 nan 0.000 0.473 353 V N -0.037 119.867 119.914 -0.017 0.000 2.453 353 V HA -0.111 4.009 4.120 0.001 0.000 0.247 353 V C 2.627 178.704 176.094 -0.029 0.000 1.048 353 V CA 1.858 64.143 62.300 -0.026 0.000 1.049 353 V CB -0.103 31.709 31.823 -0.019 0.000 0.672 353 V HN 0.457 nan 8.190 nan 0.000 0.457 354 V N 0.286 120.189 119.914 -0.018 0.000 2.407 354 V HA -0.253 3.867 4.120 0.001 0.000 0.248 354 V C 2.425 178.507 176.094 -0.021 0.000 1.055 354 V CA 2.017 64.309 62.300 -0.014 0.000 1.049 354 V CB -0.605 31.214 31.823 -0.005 0.000 0.662 354 V HN 0.643 nan 8.190 nan 0.000 0.455 355 E N -0.511 119.678 120.200 -0.019 0.000 2.110 355 E HA -0.204 4.146 4.350 0.001 0.000 0.193 355 E C 2.259 178.830 176.600 -0.049 0.000 0.988 355 E CA 1.707 58.095 56.400 -0.021 0.000 0.804 355 E CB -0.301 29.391 29.700 -0.013 0.000 0.745 355 E HN 0.507 nan 8.360 nan 0.000 0.458 356 T N 0.700 115.214 114.554 -0.068 0.000 2.777 356 T HA -0.103 4.247 4.350 0.001 0.000 0.266 356 T C 1.720 176.313 174.700 -0.178 0.000 1.040 356 T CA 0.959 62.988 62.100 -0.118 0.000 1.141 356 T CB 0.017 68.818 68.868 -0.112 0.000 0.868 356 T HN 0.064 nan 8.240 nan 0.000 0.444 357 M N 0.646 120.167 119.600 -0.132 0.000 2.200 357 M HA 0.044 4.525 4.480 0.001 0.000 0.265 357 M C 2.416 178.646 176.300 -0.116 0.000 1.066 357 M CA 0.883 56.096 55.300 -0.145 0.000 1.127 357 M CB -1.357 31.216 32.600 -0.046 0.000 1.379 357 M HN 0.123 nan 8.290 nan 0.000 0.420 358 V N 0.695 120.572 119.914 -0.062 0.000 2.307 358 V HA -0.208 3.912 4.120 0.001 0.000 0.245 358 V C 2.737 178.804 176.094 -0.045 0.000 1.045 358 V CA 1.806 64.091 62.300 -0.024 0.000 1.024 358 V CB -1.340 30.483 31.823 -0.000 0.000 0.651 358 V HN 0.468 nan 8.190 nan 0.000 0.449 359 A N -0.320 122.456 122.820 -0.073 0.000 1.908 359 A HA -0.184 4.137 4.320 0.001 0.000 0.218 359 A C 2.222 179.736 177.584 -0.117 0.000 1.181 359 A CA 1.859 53.860 52.037 -0.060 0.000 0.627 359 A CB -0.571 18.393 19.000 -0.061 0.000 0.818 359 A HN 0.499 nan 8.150 nan 0.000 0.445 360 L N -0.714 120.327 121.223 -0.304 0.000 2.046 360 L HA -0.175 4.165 4.340 0.001 0.000 0.208 360 L C 2.510 179.214 176.870 -0.277 0.000 1.077 360 L CA 1.216 55.692 54.840 -0.606 0.000 0.747 360 L CB -0.424 40.730 42.059 -1.508 0.000 0.896 360 L HN 0.258 nan 8.230 nan 0.000 0.432 361 V N -0.815 119.048 119.914 -0.086 0.000 2.453 361 V HA -0.226 3.894 4.120 0.001 0.000 0.247 361 V C 2.292 178.457 176.094 0.118 0.000 1.048 361 V CA 0.984 63.374 62.300 0.151 0.000 1.049 361 V CB -0.250 31.656 31.823 0.137 0.000 0.672 361 V HN 0.246 nan 8.190 nan 0.000 0.457 362 L N 0.474 121.743 121.223 0.077 0.000 2.093 362 L HA -0.033 4.307 4.340 0.001 0.000 0.208 362 L C 2.522 179.487 176.870 0.159 0.000 1.085 362 L CA 2.193 57.099 54.840 0.110 0.000 0.755 362 L CB -1.325 40.792 42.059 0.098 0.000 0.904 362 L HN 0.309 nan 8.230 nan 0.000 0.435 363 A N -1.066 121.840 122.820 0.143 0.000 1.968 363 A HA -0.162 4.158 4.320 0.001 0.000 0.217 363 A C 2.509 180.114 177.584 0.034 0.000 1.169 363 A CA 1.170 53.303 52.037 0.160 0.000 0.638 363 A CB -0.426 18.616 19.000 0.070 0.000 0.812 363 A HN 0.345 nan 8.150 nan 0.000 0.446 364 R N -0.085 120.473 120.500 0.098 0.000 2.073 364 R HA -0.029 4.311 4.340 0.001 0.000 0.229 364 R C 2.248 178.578 176.300 0.050 0.000 1.120 364 R CA 1.389 57.547 56.100 0.096 0.000 0.967 364 R CB -0.456 29.986 30.300 0.238 0.000 0.862 364 R HN 0.386 nan 8.270 nan 0.000 0.436 365 A N 1.170 124.035 122.820 0.075 0.000 1.865 365 A HA -0.137 4.184 4.320 0.001 0.000 0.217 365 A C 2.417 180.008 177.584 0.012 0.000 1.191 365 A CA 1.969 54.023 52.037 0.029 0.000 0.623 365 A CB -0.870 18.159 19.000 0.047 0.000 0.826 365 A HN 0.532 nan 8.150 nan 0.000 0.444 366 A N -0.436 122.466 122.820 0.137 0.000 1.877 366 A HA -0.044 4.276 4.320 0.001 0.000 0.216 366 A C 2.183 179.933 177.584 0.276 0.000 1.186 366 A CA 1.546 53.764 52.037 0.302 0.000 0.620 366 A CB -0.656 18.677 19.000 0.555 0.000 0.822 366 A HN 0.476 nan 8.150 nan 0.000 0.443 367 L N -0.559 120.750 121.223 0.144 0.000 2.131 367 L HA -0.192 4.148 4.340 0.001 0.000 0.210 367 L C 2.576 179.439 176.870 -0.012 0.000 1.092 367 L CA 1.392 56.262 54.840 0.050 0.000 0.759 367 L CB -0.547 41.441 42.059 -0.117 0.000 0.903 367 L HN 0.475 nan 8.230 nan 0.000 0.435 368 E N 0.089 120.252 120.200 -0.063 0.000 2.106 368 E HA -0.262 4.088 4.350 0.001 0.000 0.192 368 E C 2.085 178.571 176.600 -0.191 0.000 0.984 368 E CA 1.073 57.404 56.400 -0.116 0.000 0.806 368 E CB 0.020 29.640 29.700 -0.133 0.000 0.750 368 E HN 0.388 nan 8.360 nan 0.000 0.458 369 K N 0.088 120.299 120.400 -0.315 0.000 2.076 369 K HA -0.049 4.272 4.320 0.001 0.000 0.204 369 K C 1.293 177.561 176.600 -0.554 0.000 1.051 369 K CA 0.944 56.874 56.287 -0.595 0.000 0.949 369 K CB 0.115 31.979 32.500 -1.060 0.000 0.726 369 K HN 0.023 nan 8.250 nan 0.000 0.443 370 F N 0.274 120.197 119.950 -0.046 0.000 2.678 370 F HA 0.258 4.785 4.527 0.001 0.000 0.305 370 F C 1.504 177.311 175.800 0.012 0.000 1.090 370 F CA -0.220 57.772 58.000 -0.013 0.000 1.272 370 F CB 0.370 39.390 39.000 0.034 0.000 1.060 370 F HN 0.192 nan 8.300 nan 0.000 0.576 371 G N 1.384 110.256 108.800 0.119 0.000 2.638 371 G HA2 -0.046 3.914 3.960 0.001 0.000 0.458 371 G HA3 -0.046 3.914 3.960 0.001 0.000 0.458 371 G C 0.726 175.697 174.900 0.119 0.000 1.250 371 G CA 0.337 45.486 45.100 0.080 0.000 0.928 371 G HN 1.205 nan 8.290 nan 0.000 0.584 372 G N -2.596 106.253 108.800 0.081 0.000 2.705 372 G HA2 0.146 4.106 3.960 0.001 0.000 0.686 372 G HA3 0.146 4.106 3.960 0.001 0.000 0.686 372 G C -0.025 174.909 174.900 0.056 0.000 1.285 372 G CA 0.671 45.818 45.100 0.078 0.000 0.800 372 G HN 0.959 nan 8.290 nan 0.000 0.611 373 D N -0.563 119.865 120.400 0.047 0.000 2.417 373 D HA 0.223 4.863 4.640 0.001 0.000 0.207 373 D C 1.422 177.748 176.300 0.043 0.000 1.075 373 D CA 1.281 55.300 54.000 0.032 0.000 0.851 373 D CB 0.712 41.525 40.800 0.021 0.000 0.976 373 D HN 0.925 nan 8.370 nan 0.000 0.505 374 S N -0.218 115.518 115.700 0.060 0.000 2.569 374 S HA 0.277 4.747 4.470 0.001 0.000 0.280 374 S C 0.703 175.361 174.600 0.096 0.000 1.111 374 S CA -0.751 57.490 58.200 0.069 0.000 0.887 374 S CB 2.427 65.657 63.200 0.050 0.000 1.095 374 S HN -0.099 nan 8.310 nan 0.000 0.476 375 L N 2.639 123.930 121.223 0.114 0.000 2.013 375 L HA 0.003 4.343 4.340 0.001 0.000 0.212 375 L C 2.645 179.554 176.870 0.064 0.000 1.073 375 L CA 2.890 57.803 54.840 0.122 0.000 0.753 375 L CB -1.431 40.691 42.059 0.106 0.000 0.890 375 L HN 1.003 nan 8.230 nan 0.000 0.432 376 A N -0.866 121.982 122.820 0.046 0.000 1.917 376 A HA -0.317 4.003 4.320 0.001 0.000 0.219 376 A C 2.347 179.947 177.584 0.028 0.000 1.182 376 A CA 2.057 54.110 52.037 0.026 0.000 0.633 376 A CB -0.820 18.195 19.000 0.024 0.000 0.819 376 A HN 0.692 nan 8.150 nan 0.000 0.448 377 E N -0.918 119.309 120.200 0.044 0.000 2.047 377 E HA -0.155 4.196 4.350 0.001 0.000 0.191 377 E C 1.994 178.632 176.600 0.063 0.000 0.987 377 E CA 1.626 58.055 56.400 0.050 0.000 0.799 377 E CB -0.223 29.509 29.700 0.053 0.000 0.752 377 E HN 0.533 nan 8.360 nan 0.000 0.449 378 T N 1.001 115.608 114.554 0.089 0.000 2.684 378 T HA -0.206 4.144 4.350 0.001 0.000 0.267 378 T C 1.864 176.571 174.700 0.011 0.000 1.036 378 T CA 1.648 63.817 62.100 0.115 0.000 1.148 378 T CB -0.240 68.759 68.868 0.219 0.000 0.863 378 T HN 0.278 nan 8.240 nan 0.000 0.436 379 Q N 0.297 120.087 119.800 -0.017 0.000 2.084 379 Q HA -0.063 4.278 4.340 0.001 0.000 0.202 379 Q C 2.639 178.601 176.000 -0.064 0.000 0.978 379 Q CA 1.271 57.025 55.803 -0.081 0.000 0.844 379 Q CB -0.130 28.569 28.738 -0.065 0.000 0.898 379 Q HN 0.418 nan 8.270 nan 0.000 0.426 380 R N 0.321 120.812 120.500 -0.015 0.000 2.081 380 R HA -0.095 4.246 4.340 0.001 0.000 0.235 380 R C 1.850 178.161 176.300 0.019 0.000 1.131 380 R CA 1.402 57.503 56.100 0.002 0.000 0.960 380 R CB -0.057 30.254 30.300 0.019 0.000 0.856 380 R HN 0.280 nan 8.270 nan 0.000 0.436 381 N N 0.479 119.204 118.700 0.043 0.000 2.244 381 N HA -0.109 4.632 4.740 0.001 0.000 0.183 381 N C 1.732 177.298 175.510 0.094 0.000 1.016 381 N CA 1.089 54.209 53.050 0.116 0.000 0.866 381 N CB -0.099 38.506 38.487 0.197 0.000 0.980 381 N HN 0.249 nan 8.380 nan 0.000 0.430 382 I N 1.059 121.524 120.570 -0.175 0.000 2.202 382 I HA -0.211 3.959 4.170 0.001 0.000 0.242 382 I C 2.339 178.397 176.117 -0.099 0.000 1.091 382 I CA 0.975 61.999 61.300 -0.460 0.000 1.368 382 I CB -0.349 37.230 38.000 -0.701 0.000 1.058 382 I HN 0.054 nan 8.210 nan 0.000 0.410 383 A N 0.876 123.653 122.820 -0.072 0.000 1.883 383 A HA -0.242 4.079 4.320 0.001 0.000 0.217 383 A C 2.543 180.141 177.584 0.023 0.000 1.186 383 A CA 2.166 54.188 52.037 -0.025 0.000 0.624 383 A CB -0.979 18.004 19.000 -0.029 0.000 0.822 383 A HN 0.449 nan 8.150 nan 0.000 0.444 384 A N -1.627 121.229 122.820 0.060 0.000 1.902 384 A HA -0.120 4.200 4.320 0.001 0.000 0.217 384 A C 2.179 179.835 177.584 0.120 0.000 1.181 384 A CA 1.768 53.855 52.037 0.083 0.000 0.623 384 A CB -0.813 18.250 19.000 0.104 0.000 0.818 384 A HN 0.797 nan 8.150 nan 0.000 0.443 385 Y N 0.378 120.732 120.300 0.090 0.000 2.163 385 Y HA -0.200 4.350 4.550 0.001 0.000 0.288 385 Y C 2.567 178.527 175.900 0.100 0.000 1.136 385 Y CA 2.111 60.300 58.100 0.149 0.000 1.147 385 Y CB -0.238 38.433 38.460 0.352 0.000 0.987 385 Y HN 0.317 nan 8.280 nan 0.000 0.509 386 Q N 0.390 120.201 119.800 0.019 0.000 2.096 386 Q HA -0.244 4.096 4.340 0.001 0.000 0.204 386 Q C 2.420 178.353 176.000 -0.111 0.000 0.982 386 Q CA 1.911 57.663 55.803 -0.085 0.000 0.850 386 Q CB -0.506 28.228 28.738 -0.007 0.000 0.901 386 Q HN 0.504 nan 8.270 nan 0.000 0.422 387 R N 0.561 121.024 120.500 -0.061 0.000 2.092 387 R HA -0.102 4.238 4.340 0.001 0.000 0.231 387 R C 2.548 178.807 176.300 -0.068 0.000 1.119 387 R CA 1.469 57.539 56.100 -0.049 0.000 0.970 387 R CB -0.082 30.205 30.300 -0.021 0.000 0.864 387 R HN 0.269 nan 8.270 nan 0.000 0.440 388 S N -0.233 115.413 115.700 -0.090 0.000 2.406 388 S HA -0.092 4.378 4.470 0.001 0.000 0.228 388 S C 2.059 176.562 174.600 -0.161 0.000 1.020 388 S CA 1.032 59.173 58.200 -0.098 0.000 0.965 388 S CB -0.272 62.891 63.200 -0.061 0.000 0.798 388 S HN 0.292 nan 8.310 nan 0.000 0.488 389 V N 0.863 120.607 119.914 -0.284 0.000 2.453 389 V HA 0.198 4.318 4.120 0.001 0.000 0.247 389 V C 2.668 178.687 176.094 -0.125 0.000 1.048 389 V CA 1.496 63.651 62.300 -0.242 0.000 1.049 389 V CB -1.604 30.019 31.823 -0.334 0.000 0.672 389 V HN 0.546 nan 8.190 nan 0.000 0.457 390 A N 0.811 123.568 122.820 -0.105 0.000 1.892 390 A HA -0.205 4.115 4.320 0.001 0.000 0.218 390 A C 1.132 178.688 177.584 -0.046 0.000 1.188 390 A CA 1.762 53.763 52.037 -0.060 0.000 0.631 390 A CB -1.229 17.743 19.000 -0.047 0.000 0.822 390 A HN 0.701 nan 8.150 nan 0.000 0.447 391 D N 1.364 121.735 120.400 -0.048 0.000 2.402 391 D HA 0.337 4.977 4.640 0.001 0.000 0.268 391 D C 0.540 176.820 176.300 -0.033 0.000 1.294 391 D CA 1.198 55.177 54.000 -0.034 0.000 0.945 391 D CB -0.260 40.524 40.800 -0.028 0.000 1.112 391 D HN 0.653 nan 8.370 nan 0.000 0.517 392 R N 0.000 120.486 120.500 -0.023 0.000 2.786 392 R HA 0.000 4.340 4.340 0.001 0.000 0.208 392 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 392 R CB 0.000 30.288 30.300 -0.020 0.000 0.687 392 R HN 0.000 nan 8.270 nan 0.000 0.535