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 2dut_1_D DATA FIRST_RESID 1 DATA SEQUENCE MEQVSASIGN FTVDLFNKLN ETNRDKNIFF SPWSISSALA LTYLAAKGST DATA SEQUENCE AREMAEVLHF XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXIHSGFKE DATA SEQUENCE LLTAFNKPRN NYSLRSANRI YVEKTYALLP TYLQLSKKYY KAEPQKVNFK DATA SEQUENCE TAPEQSRKEI NTWVEKQTES KIKNLLSSDD VKATTRLILV NAIYFKAEWE DATA SEQUENCE VKFQAEKTSI QPFRLXKNKS KPVKMMYMRD TFPVLIMEKM NFKMIELPYV DATA SEQUENCE KRELSMFILL PDDXXXXXTG LEQLERELTY ERLSEWADSK MMTETLVDLH DATA SEQUENCE LPKFSLEDRI DLRDTLRNMG MTTAFTTNAD FRGMTDXXXL AISKVIHQSF DATA SEQUENCE VAVDEKGTEA AAATAVIISF TTSVXXHVLK FKVDHPFHFF IRHNKSKTIL DATA SEQUENCE FFGRFCCPVE 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 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.263 55.300 -0.062 0.000 0.988 1 M CB 0.000 32.568 32.600 -0.054 0.000 1.302 2 E N 1.045 121.237 120.200 -0.014 0.000 2.511 2 E HA 0.402 4.752 4.350 -0.000 0.000 0.196 2 E C 1.656 178.259 176.600 0.005 0.000 1.066 2 E CA 2.197 58.603 56.400 0.010 0.000 0.871 2 E CB -0.949 28.765 29.700 0.022 0.000 0.863 2 E HN 1.535 nan 8.360 nan 0.000 0.520 3 Q N -0.516 119.272 119.800 -0.021 0.000 2.324 3 Q HA 0.305 4.645 4.340 -0.000 0.000 0.207 3 Q C 2.562 178.535 176.000 -0.046 0.000 0.928 3 Q CA 0.987 56.776 55.803 -0.024 0.000 0.890 3 Q CB -0.355 28.364 28.738 -0.032 0.000 1.001 3 Q HN 0.517 nan 8.270 nan 0.000 0.517 4 V N 1.217 121.077 119.914 -0.091 0.000 2.379 4 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 4 V C 2.537 178.587 176.094 -0.072 0.000 1.044 4 V CA 1.975 64.192 62.300 -0.139 0.000 1.036 4 V CB -0.436 31.209 31.823 -0.298 0.000 0.664 4 V HN 0.602 nan 8.190 nan 0.000 0.453 5 S N 0.762 116.435 115.700 -0.045 0.000 2.419 5 S HA -0.191 4.278 4.470 -0.000 0.000 0.235 5 S C 2.134 176.672 174.600 -0.104 0.000 1.019 5 S CA 1.486 59.680 58.200 -0.010 0.000 0.982 5 S CB -0.432 62.795 63.200 0.044 0.000 0.789 5 S HN 0.668 nan 8.310 nan 0.000 0.490 6 A N 1.065 123.828 122.820 -0.096 0.000 1.930 6 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 6 A C 2.244 179.631 177.584 -0.328 0.000 1.176 6 A CA 1.511 53.423 52.037 -0.208 0.000 0.632 6 A CB -0.990 18.004 19.000 -0.011 0.000 0.819 6 A HN 0.486 nan 8.150 nan 0.000 0.445 7 S N 0.369 115.991 115.700 -0.129 0.000 2.365 7 S HA -0.212 4.257 4.470 -0.000 0.000 0.221 7 S C 1.947 176.475 174.600 -0.120 0.000 1.037 7 S CA 1.757 59.935 58.200 -0.037 0.000 1.060 7 S CB -0.667 62.630 63.200 0.162 0.000 0.974 7 S HN 0.463 nan 8.310 nan 0.000 0.427 8 I N 1.817 122.363 120.570 -0.040 0.000 2.091 8 I HA -0.175 3.995 4.170 -0.000 0.000 0.239 8 I C 2.884 178.861 176.117 -0.234 0.000 1.061 8 I CA 1.388 62.708 61.300 0.032 0.000 1.317 8 I CB -1.352 36.742 38.000 0.157 0.000 1.031 8 I HN 0.551 nan 8.210 nan 0.000 0.401 9 G N 0.637 109.069 108.800 -0.614 0.000 2.656 9 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.223 9 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.223 9 G C 1.312 175.678 174.900 -0.889 0.000 1.130 9 G CA 2.027 46.304 45.100 -1.372 0.000 0.758 9 G HN 0.444 nan 8.290 nan 0.000 0.608 10 N N -0.458 117.790 118.700 -0.754 0.000 2.148 10 N HA 0.019 4.759 4.740 -0.000 0.000 0.186 10 N C 1.734 176.907 175.510 -0.562 0.000 1.031 10 N CA 0.848 53.483 53.050 -0.692 0.000 0.848 10 N CB -0.425 37.398 38.487 -1.106 0.000 1.005 10 N HN 0.255 nan 8.380 nan 0.000 0.427 11 F N 2.174 121.758 119.950 -0.611 0.000 2.147 11 F HA -0.264 4.263 4.527 -0.000 0.000 0.301 11 F C 1.864 177.554 175.800 -0.183 0.000 1.084 11 F CA 1.415 59.284 58.000 -0.218 0.000 1.268 11 F CB -0.945 37.981 39.000 -0.124 0.000 1.009 11 F HN -0.014 nan 8.300 nan 0.000 0.486 12 T N 0.303 114.674 114.554 -0.305 0.000 2.595 12 T HA -0.196 4.154 4.350 -0.000 0.000 0.264 12 T C 2.187 176.658 174.700 -0.382 0.000 1.058 12 T CA 2.067 63.956 62.100 -0.352 0.000 1.166 12 T CB -1.066 67.609 68.868 -0.323 0.000 0.863 12 T HN 0.155 nan 8.240 nan 0.000 0.415 13 V N 2.322 122.017 119.914 -0.366 0.000 2.380 13 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 13 V C 2.337 178.375 176.094 -0.092 0.000 1.063 13 V CA 2.006 64.162 62.300 -0.240 0.000 1.055 13 V CB -0.814 30.926 31.823 -0.139 0.000 0.657 13 V HN 0.417 nan 8.190 nan 0.000 0.455 14 D N -0.265 120.047 120.400 -0.147 0.000 2.077 14 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 14 D C 1.945 178.118 176.300 -0.212 0.000 0.986 14 D CA 1.158 55.094 54.000 -0.105 0.000 0.829 14 D CB -0.621 40.180 40.800 0.001 0.000 0.983 14 D HN 0.311 nan 8.370 nan 0.000 0.453 15 L N 0.309 121.253 121.223 -0.465 0.000 2.034 15 L HA -0.214 4.126 4.340 -0.000 0.000 0.217 15 L C 2.061 178.682 176.870 -0.414 0.000 1.077 15 L CA 1.608 56.058 54.840 -0.650 0.000 0.769 15 L CB -0.939 40.366 42.059 -1.256 0.000 0.890 15 L HN 0.018 nan 8.230 nan 0.000 0.435 16 F N 0.971 120.716 119.950 -0.341 0.000 2.011 16 F HA -0.318 4.209 4.527 -0.000 0.000 0.296 16 F C 2.438 178.212 175.800 -0.044 0.000 1.144 16 F CA 2.263 60.245 58.000 -0.031 0.000 1.185 16 F CB -0.972 38.025 39.000 -0.004 0.000 0.961 16 F HN 0.294 nan 8.300 nan 0.000 0.485 17 N N 0.974 119.573 118.700 -0.168 0.000 2.036 17 N HA -0.248 4.491 4.740 -0.000 0.000 0.199 17 N C 1.831 177.182 175.510 -0.265 0.000 1.036 17 N CA 1.868 54.762 53.050 -0.261 0.000 0.870 17 N CB -0.684 37.754 38.487 -0.081 0.000 1.055 17 N HN 0.277 nan 8.380 nan 0.000 0.436 18 K N 1.270 121.550 120.400 -0.200 0.000 1.990 18 K HA -0.133 4.186 4.320 -0.000 0.000 0.225 18 K C 2.345 178.825 176.600 -0.201 0.000 1.053 18 K CA 0.982 57.160 56.287 -0.181 0.000 0.982 18 K CB -1.186 31.207 32.500 -0.178 0.000 0.734 18 K HN 0.249 nan 8.250 nan 0.000 0.448 19 L N 1.268 122.353 121.223 -0.230 0.000 2.123 19 L HA -0.313 4.027 4.340 -0.000 0.000 0.217 19 L C 2.494 179.255 176.870 -0.182 0.000 1.081 19 L CA 1.646 56.374 54.840 -0.187 0.000 0.772 19 L CB -0.674 41.286 42.059 -0.164 0.000 0.890 19 L HN 0.461 nan 8.230 nan 0.000 0.437 20 N N 0.023 118.544 118.700 -0.297 0.000 2.025 20 N HA -0.232 4.508 4.740 -0.000 0.000 0.194 20 N C 1.680 177.086 175.510 -0.174 0.000 1.044 20 N CA 1.666 54.534 53.050 -0.303 0.000 0.851 20 N CB 0.009 38.194 38.487 -0.503 0.000 1.036 20 N HN 0.425 nan 8.380 nan 0.000 0.422 21 E N -0.305 119.799 120.200 -0.160 0.000 2.136 21 E HA -0.239 4.111 4.350 -0.000 0.000 0.208 21 E C 1.960 178.511 176.600 -0.082 0.000 1.035 21 E CA 1.864 58.201 56.400 -0.105 0.000 0.838 21 E CB -0.498 29.145 29.700 -0.096 0.000 0.748 21 E HN 0.491 nan 8.360 nan 0.000 0.459 22 T N 1.550 116.053 114.554 -0.084 0.000 2.701 22 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 22 T C 1.085 175.755 174.700 -0.050 0.000 1.040 22 T CA 0.971 63.034 62.100 -0.062 0.000 1.147 22 T CB -0.099 68.733 68.868 -0.061 0.000 0.865 22 T HN 0.121 nan 8.240 nan 0.000 0.426 23 N N 1.553 120.220 118.700 -0.054 0.000 3.271 23 N HA 0.231 4.971 4.740 -0.000 0.000 0.303 23 N C 1.236 176.719 175.510 -0.044 0.000 1.415 23 N CA -0.110 52.918 53.050 -0.037 0.000 1.159 23 N CB 0.713 39.189 38.487 -0.018 0.000 1.432 23 N HN 0.306 nan 8.380 nan 0.000 0.521 24 R N 1.007 121.480 120.500 -0.044 0.000 2.341 24 R HA -0.126 4.214 4.340 -0.000 0.000 0.213 24 R C 0.809 177.095 176.300 -0.022 0.000 1.082 24 R CA 1.517 57.593 56.100 -0.039 0.000 1.017 24 R CB -1.013 nan 30.300 nan 0.000 0.860 24 R HN 0.543 nan 8.270 nan 0.000 0.473 25 D N -3.531 116.857 120.400 -0.019 0.000 2.650 25 D HA 0.325 4.965 4.640 -0.000 0.000 0.265 25 D C 0.267 176.556 176.300 -0.017 0.000 1.339 25 D CA 0.345 54.336 54.000 -0.015 0.000 0.816 25 D CB 0.337 41.130 40.800 -0.012 0.000 1.091 25 D HN 0.520 nan 8.370 nan 0.000 0.483 26 K N -0.103 120.290 120.400 -0.012 0.000 2.346 26 K HA 0.595 4.915 4.320 -0.000 0.000 0.238 26 K C -0.732 175.869 176.600 0.002 0.000 1.039 26 K CA -0.999 55.287 56.287 -0.003 0.000 0.861 26 K CB 0.352 nan 32.500 nan 0.000 1.278 26 K HN 0.249 nan 8.250 nan 0.000 0.460 27 N N 0.829 119.537 118.700 0.014 0.000 2.437 27 N HA 0.340 5.080 4.740 -0.000 0.000 0.243 27 N C -0.989 174.628 175.510 0.177 0.000 1.041 27 N CA -0.541 52.530 53.050 0.034 0.000 0.940 27 N CB 0.494 38.973 38.487 -0.013 0.000 1.133 27 N HN 0.445 nan 8.380 nan 0.000 0.506 28 I N 2.904 123.620 120.570 0.242 0.000 2.441 28 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 28 I C -0.342 176.073 176.117 0.496 0.000 1.049 28 I CA 0.020 61.562 61.300 0.403 0.000 1.381 28 I CB -0.134 38.203 38.000 0.562 0.000 1.409 28 I HN 0.388 nan 8.210 nan 0.000 0.523 29 F N 8.286 128.437 119.950 0.335 0.000 2.615 29 F HA 0.733 5.260 4.527 -0.000 0.000 0.312 29 F C -1.342 174.676 175.800 0.364 0.000 1.119 29 F CA -1.174 56.967 58.000 0.235 0.000 0.979 29 F CB 1.415 40.599 39.000 0.306 0.000 1.266 29 F HN 0.359 nan 8.300 nan 0.000 0.444 30 F N 1.241 120.766 119.950 -0.709 0.000 2.842 30 F HA 0.498 5.025 4.527 -0.000 0.000 0.319 30 F C -1.513 173.902 175.800 -0.642 0.000 1.159 30 F CA -1.214 56.430 58.000 -0.593 0.000 0.902 30 F CB 0.835 39.598 39.000 -0.396 0.000 1.311 30 F HN 0.328 nan 8.300 nan 0.000 0.453 31 S N 3.103 118.644 115.700 -0.265 0.000 2.567 31 S HA 0.379 4.849 4.470 -0.000 0.000 0.262 31 S C -1.469 173.127 174.600 -0.007 0.000 1.237 31 S CA -1.683 56.277 58.200 -0.401 0.000 1.093 31 S CB 0.264 63.135 63.200 -0.548 0.000 1.095 31 S HN 0.551 nan 8.310 nan 0.000 0.489 32 P HA -0.157 nan 4.420 nan 0.000 0.217 32 P C 1.549 179.012 177.300 0.271 0.000 1.148 32 P CA 1.053 64.307 63.100 0.256 0.000 0.828 32 P CB -0.187 31.633 31.700 0.200 0.000 0.783 33 W N 1.106 122.443 121.300 0.062 0.000 2.402 33 W HA -0.016 4.644 4.660 -0.000 0.000 0.286 33 W C 1.669 178.263 176.519 0.125 0.000 1.221 33 W CA 1.199 58.621 57.345 0.128 0.000 1.257 33 W CB -0.620 28.904 29.460 0.106 0.000 1.120 33 W HN -0.017 nan 8.180 nan 0.000 0.551 34 S N 0.377 115.979 115.700 -0.163 0.000 2.603 34 S HA 0.063 4.533 4.470 -0.000 0.000 0.220 34 S C 1.424 175.946 174.600 -0.131 0.000 0.967 34 S CA 0.476 58.519 58.200 -0.262 0.000 0.920 34 S CB -0.216 62.939 63.200 -0.075 0.000 0.773 34 S HN 0.326 nan 8.310 nan 0.000 0.529 35 I N -0.557 119.976 120.570 -0.062 0.000 3.565 35 I HA 0.061 4.231 4.170 -0.000 0.000 0.287 35 I C 2.268 178.302 176.117 -0.139 0.000 1.193 35 I CA 0.246 61.540 61.300 -0.011 0.000 1.402 35 I CB -0.270 37.794 38.000 0.107 0.000 1.284 35 I HN 0.135 nan 8.210 nan 0.000 0.454 36 S N 1.215 116.844 115.700 -0.118 0.000 2.356 36 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 36 S C 2.220 176.636 174.600 -0.307 0.000 1.032 36 S CA 1.919 59.997 58.200 -0.203 0.000 1.005 36 S CB -0.358 62.889 63.200 0.079 0.000 0.867 36 S HN 0.578 nan 8.310 nan 0.000 0.449 37 S N 2.783 118.150 115.700 -0.555 0.000 2.359 37 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 37 S C 2.074 176.174 174.600 -0.834 0.000 1.039 37 S CA 1.190 58.726 58.200 -1.107 0.000 1.042 37 S CB -0.864 61.535 63.200 -1.335 0.000 0.915 37 S HN 0.555 nan 8.310 nan 0.000 0.439 38 A N 1.410 123.922 122.820 -0.515 0.000 1.968 38 A HA 0.281 4.601 4.320 -0.000 0.000 0.217 38 A C 2.302 179.707 177.584 -0.297 0.000 1.169 38 A CA 1.059 52.886 52.037 -0.350 0.000 0.638 38 A CB -0.683 18.202 19.000 -0.191 0.000 0.812 38 A HN 0.528 nan 8.150 nan 0.000 0.446 39 L N -0.977 120.080 121.223 -0.277 0.000 2.313 39 L HA -0.072 4.268 4.340 -0.000 0.000 0.214 39 L C 2.969 179.735 176.870 -0.174 0.000 1.119 39 L CA 0.611 55.329 54.840 -0.203 0.000 0.809 39 L CB -0.403 41.511 42.059 -0.241 0.000 0.933 39 L HN 0.450 nan 8.230 nan 0.000 0.449 40 A N 0.547 123.195 122.820 -0.287 0.000 1.908 40 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 40 A C 2.202 179.696 177.584 -0.149 0.000 1.181 40 A CA 1.353 53.276 52.037 -0.189 0.000 0.627 40 A CB -0.591 18.040 19.000 -0.615 0.000 0.818 40 A HN 0.316 nan 8.150 nan 0.000 0.445 41 L N -0.309 120.693 121.223 -0.368 0.000 1.951 41 L HA -0.282 4.058 4.340 -0.000 0.000 0.222 41 L C 3.169 180.073 176.870 0.057 0.000 1.078 41 L CA 2.494 57.219 54.840 -0.192 0.000 0.778 41 L CB -1.436 40.511 42.059 -0.186 0.000 0.893 41 L HN 0.691 nan 8.230 nan 0.000 0.436 42 T N -2.572 111.989 114.554 0.012 0.000 2.653 42 T HA -0.365 3.984 4.350 -0.000 0.000 0.268 42 T C 1.830 176.416 174.700 -0.190 0.000 1.035 42 T CA 1.909 63.995 62.100 -0.022 0.000 1.154 42 T CB -0.979 67.944 68.868 0.092 0.000 0.862 42 T HN 0.353 nan 8.240 nan 0.000 0.441 43 Y N 2.231 122.404 120.300 -0.212 0.000 2.139 43 Y HA -0.053 4.497 4.550 -0.000 0.000 0.282 43 Y C 1.875 177.675 175.900 -0.166 0.000 1.179 43 Y CA 1.282 59.262 58.100 -0.201 0.000 1.161 43 Y CB -0.785 37.635 38.460 -0.067 0.000 0.970 43 Y HN 0.350 nan 8.280 nan 0.000 0.511 44 L N 0.158 121.335 121.223 -0.076 0.000 2.798 44 L HA 0.281 4.621 4.340 -0.000 0.000 0.254 44 L C 0.770 177.691 176.870 0.085 0.000 1.176 44 L CA 1.102 55.924 54.840 -0.031 0.000 0.991 44 L CB -0.997 41.199 42.059 0.227 0.000 1.225 44 L HN 0.277 nan 8.230 nan 0.000 0.420 45 A N -0.921 121.809 122.820 -0.150 0.000 2.504 45 A HA 0.704 5.024 4.320 -0.000 0.000 0.233 45 A C 0.477 177.712 177.584 -0.581 0.000 1.079 45 A CA 0.192 52.094 52.037 -0.224 0.000 1.080 45 A CB -0.343 18.477 19.000 -0.300 0.000 1.144 45 A HN 0.410 nan 8.150 nan 0.000 0.491 46 A N 0.771 123.198 122.820 -0.655 0.000 2.316 46 A HA 0.701 5.021 4.320 -0.000 0.000 0.324 46 A C 0.233 177.563 177.584 -0.423 0.000 1.375 46 A CA 0.433 52.053 52.037 -0.694 0.000 0.882 46 A CB -0.011 18.611 19.000 -0.631 0.000 1.152 46 A HN 0.935 nan 8.150 nan 0.000 0.512 47 K N 0.786 121.020 120.400 -0.278 0.000 2.168 47 K HA 0.885 5.205 4.320 -0.000 0.000 0.239 47 K C 1.215 177.751 176.600 -0.106 0.000 0.999 47 K CA 0.231 56.412 56.287 -0.177 0.000 0.900 47 K CB 0.390 32.813 32.500 -0.129 0.000 1.111 47 K HN 2.541 nan 8.250 nan 0.000 0.452 48 G N 0.085 108.839 108.800 -0.075 0.000 2.574 48 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.301 48 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.301 48 G C 1.512 176.395 174.900 -0.027 0.000 1.166 48 G CA 1.991 47.066 45.100 -0.041 0.000 0.971 48 G HN 1.715 nan 8.290 nan 0.000 0.542 49 S N -0.819 114.873 115.700 -0.014 0.000 2.470 49 S HA 0.111 4.581 4.470 -0.000 0.000 0.222 49 S C 2.393 176.997 174.600 0.006 0.000 1.024 49 S CA 1.764 59.964 58.200 -0.001 0.000 0.931 49 S CB -0.360 62.843 63.200 0.004 0.000 0.791 49 S HN 0.810 nan 8.310 nan 0.000 0.513 50 T N 2.019 116.575 114.554 0.004 0.000 2.788 50 T HA 0.019 4.369 4.350 -0.000 0.000 0.268 50 T C 1.971 176.676 174.700 0.008 0.000 1.044 50 T CA 1.313 63.424 62.100 0.018 0.000 1.139 50 T CB -0.484 68.409 68.868 0.041 0.000 0.867 50 T HN 0.497 nan 8.240 nan 0.000 0.454 51 A N 1.699 124.511 122.820 -0.012 0.000 1.840 51 A HA 0.097 4.417 4.320 -0.000 0.000 0.214 51 A C 2.685 180.352 177.584 0.137 0.000 1.198 51 A CA 2.045 54.131 52.037 0.082 0.000 0.608 51 A CB -1.285 17.678 19.000 -0.063 0.000 0.839 51 A HN 0.467 nan 8.150 nan 0.000 0.443 52 R N -1.013 119.523 120.500 0.060 0.000 2.204 52 R HA -0.167 4.173 4.340 -0.000 0.000 0.253 52 R C 2.105 178.410 176.300 0.007 0.000 1.172 52 R CA 3.130 59.253 56.100 0.039 0.000 0.994 52 R CB -2.005 nan 30.300 nan 0.000 0.874 52 R HN 0.889 nan 8.270 nan 0.000 0.462 53 E N -0.159 120.042 120.200 0.002 0.000 2.075 53 E HA 0.176 4.526 4.350 -0.000 0.000 0.190 53 E C 2.196 178.744 176.600 -0.086 0.000 0.969 53 E CA 1.001 57.381 56.400 -0.033 0.000 0.815 53 E CB -0.341 29.355 29.700 -0.006 0.000 0.776 53 E HN 0.672 nan 8.360 nan 0.000 0.457 54 M N 0.272 119.836 119.600 -0.061 0.000 2.106 54 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 54 M C 2.827 178.862 176.300 -0.440 0.000 1.068 54 M CA 1.734 56.925 55.300 -0.182 0.000 1.100 54 M CB -0.341 32.243 32.600 -0.026 0.000 1.351 54 M HN 0.490 nan 8.290 nan 0.000 0.404 55 A N 0.540 123.192 122.820 -0.280 0.000 1.883 55 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 55 A C 2.127 179.473 177.584 -0.397 0.000 1.186 55 A CA 2.696 54.530 52.037 -0.338 0.000 0.624 55 A CB -1.398 17.636 19.000 0.056 0.000 0.822 55 A HN 0.565 nan 8.150 nan 0.000 0.444 56 E N -0.721 119.324 120.200 -0.259 0.000 2.058 56 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 56 E C 2.134 178.480 176.600 -0.423 0.000 0.997 56 E CA 1.763 57.993 56.400 -0.283 0.000 0.801 56 E CB -1.263 28.328 29.700 -0.182 0.000 0.746 56 E HN 0.387 nan 8.360 nan 0.000 0.450 57 V N 0.553 120.248 119.914 -0.365 0.000 2.237 57 V HA -0.199 3.920 4.120 -0.000 0.000 0.245 57 V C 2.722 178.601 176.094 -0.358 0.000 1.046 57 V CA 1.938 64.057 62.300 -0.300 0.000 1.007 57 V CB -0.375 31.324 31.823 -0.207 0.000 0.638 57 V HN 0.594 nan 8.190 nan 0.000 0.445 58 L N -1.100 119.665 121.223 -0.763 0.000 2.551 58 L HA 0.034 4.373 4.340 -0.000 0.000 0.228 58 L C 0.541 177.051 176.870 -0.600 0.000 1.153 58 L CA 0.530 54.731 54.840 -1.064 0.000 0.851 58 L CB -0.729 40.261 42.059 -1.781 0.000 0.959 58 L HN 0.531 nan 8.230 nan 0.000 0.451 59 H N -2.291 116.433 119.070 -0.577 0.000 3.012 59 H HA -0.104 4.452 4.556 -0.000 0.000 0.346 59 H C -0.173 175.133 175.328 -0.036 0.000 1.292 59 H CA 0.177 56.083 56.048 -0.237 0.000 1.211 59 H CB -2.086 27.614 29.762 -0.103 0.000 1.537 59 H HN 0.193 nan 8.280 nan 0.000 0.446 95 H N 1.667 120.722 119.070 -0.024 0.000 2.543 95 H HA -0.105 4.451 4.556 -0.000 0.000 0.286 95 H C 2.187 177.634 175.328 0.198 0.000 1.037 95 H CA 1.557 57.604 56.048 -0.002 0.000 1.250 95 H CB 0.473 30.134 29.762 -0.168 0.000 1.373 95 H HN 0.762 nan 8.280 nan 0.000 0.580 96 S N -1.101 114.811 115.700 0.354 0.000 2.603 96 S HA 0.009 4.479 4.470 -0.000 0.000 0.220 96 S C 2.165 176.825 174.600 0.101 0.000 0.967 96 S CA 0.250 58.592 58.200 0.237 0.000 0.920 96 S CB 0.105 63.335 63.200 0.050 0.000 0.773 96 S HN 0.467 nan 8.310 nan 0.000 0.529 97 G N 0.637 109.461 108.800 0.041 0.000 2.470 97 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.220 97 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.220 97 G C 0.937 175.784 174.900 -0.089 0.000 1.121 97 G CA 0.414 45.451 45.100 -0.105 0.000 0.766 97 G HN 0.593 nan 8.290 nan 0.000 0.553 98 F N 1.146 121.226 119.950 0.216 0.000 2.262 98 F HA 0.159 4.686 4.527 -0.000 0.000 0.292 98 F C 3.091 178.997 175.800 0.177 0.000 1.081 98 F CA 1.102 59.301 58.000 0.332 0.000 1.355 98 F CB 0.017 39.344 39.000 0.545 0.000 1.069 98 F HN 0.207 nan 8.300 nan 0.000 0.506 99 K N 1.002 121.535 120.400 0.222 0.000 2.009 99 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 99 K C 1.897 178.486 176.600 -0.019 0.000 1.049 99 K CA 2.010 58.306 56.287 0.015 0.000 0.929 99 K CB -1.871 30.511 32.500 -0.197 0.000 0.714 99 K HN 0.395 nan 8.250 nan 0.000 0.440 100 E N 0.979 121.152 120.200 -0.045 0.000 2.058 100 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 100 E C 2.184 178.667 176.600 -0.194 0.000 0.997 100 E CA 1.542 57.882 56.400 -0.101 0.000 0.801 100 E CB -0.585 nan 29.700 nan 0.000 0.746 100 E HN 0.566 nan 8.360 nan 0.000 0.450 101 L N -1.032 120.043 121.223 -0.247 0.000 2.131 101 L HA 0.045 4.385 4.340 -0.000 0.000 0.206 101 L C 2.762 179.160 176.870 -0.787 0.000 1.087 101 L CA 0.641 55.068 54.840 -0.689 0.000 0.767 101 L CB -0.126 41.507 42.059 -0.710 0.000 0.917 101 L HN 0.314 nan 8.230 nan 0.000 0.441 102 L N 0.163 121.313 121.223 -0.122 0.000 2.042 102 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 102 L C 2.748 179.642 176.870 0.041 0.000 1.076 102 L CA 2.609 57.531 54.840 0.137 0.000 0.749 102 L CB -0.718 41.536 42.059 0.325 0.000 0.893 102 L HN 0.470 nan 8.230 nan 0.000 0.432 103 T N -3.422 111.115 114.554 -0.027 0.000 2.732 103 T HA -0.065 4.285 4.350 -0.000 0.000 0.261 103 T C 1.969 176.662 174.700 -0.011 0.000 1.040 103 T CA 1.149 63.251 62.100 0.004 0.000 1.145 103 T CB -1.038 67.819 68.868 -0.019 0.000 0.866 103 T HN 0.349 nan 8.240 nan 0.000 0.427 104 A N 2.090 124.834 122.820 -0.127 0.000 1.900 104 A HA -0.155 4.165 4.320 -0.000 0.000 0.225 104 A C 2.089 179.774 177.584 0.167 0.000 1.414 104 A CA 2.476 54.464 52.037 -0.081 0.000 0.702 104 A CB -1.460 17.336 19.000 -0.340 0.000 0.845 104 A HN 0.531 nan 8.150 nan 0.000 0.478 105 F N -0.459 119.518 119.950 0.045 0.000 2.039 105 F HA -0.091 4.436 4.527 -0.000 0.000 0.294 105 F C 2.384 178.310 175.800 0.210 0.000 1.130 105 F CA 1.049 59.175 58.000 0.211 0.000 1.189 105 F CB -1.585 37.487 39.000 0.121 0.000 0.983 105 F HN 0.305 nan 8.300 nan 0.000 0.471 106 N N 0.122 119.063 118.700 0.401 0.000 2.166 106 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 106 N C 1.865 177.463 175.510 0.147 0.000 1.019 106 N CA 1.084 54.290 53.050 0.260 0.000 0.856 106 N CB -0.133 38.502 38.487 0.247 0.000 0.993 106 N HN 0.295 nan 8.380 nan 0.000 0.426 107 K N 1.822 122.294 120.400 0.122 0.000 2.011 107 K HA -0.077 4.243 4.320 -0.000 0.000 0.215 107 K C -0.947 175.681 176.600 0.046 0.000 0.978 107 K CA 1.308 57.637 56.287 0.070 0.000 1.028 107 K CB -1.760 nan 32.500 nan 0.000 0.968 107 K HN 0.064 nan 8.250 nan 0.000 0.511 108 P HA 0.165 nan 4.420 nan 0.000 0.197 108 P C 0.077 177.325 177.300 -0.086 0.000 1.115 108 P CA 1.550 64.640 63.100 -0.016 0.000 0.896 108 P CB 0.191 31.889 31.700 -0.004 0.000 0.737 109 R N -0.978 119.514 120.500 -0.013 0.000 3.301 109 R HA -0.205 4.135 4.340 -0.000 0.000 0.249 109 R C 0.458 176.524 176.300 -0.389 0.000 0.964 109 R CA 1.200 57.297 56.100 -0.005 0.000 0.653 109 R CB -3.249 27.229 30.300 0.297 0.000 1.043 109 R HN 0.730 nan 8.270 nan 0.000 0.454 110 N N 0.849 119.422 118.700 -0.211 0.000 2.231 110 N HA 0.369 5.109 4.740 -0.000 0.000 0.223 110 N C 1.142 176.524 175.510 -0.213 0.000 1.329 110 N CA 0.609 53.524 53.050 -0.225 0.000 0.889 110 N CB 0.085 38.517 38.487 -0.092 0.000 1.125 110 N HN 1.318 nan 8.380 nan 0.000 0.447 111 N N -2.539 116.078 118.700 -0.139 0.000 3.016 111 N HA -0.139 4.601 4.740 -0.000 0.000 0.223 111 N C -0.969 174.567 175.510 0.045 0.000 0.922 111 N CA 1.586 54.624 53.050 -0.020 0.000 0.998 111 N CB -2.066 36.459 38.487 0.063 0.000 1.064 111 N HN 1.242 nan 8.380 nan 0.000 0.566 112 Y N -2.485 117.780 120.300 -0.058 0.000 2.465 112 Y HA 0.613 5.163 4.550 -0.000 0.000 0.323 112 Y C -1.109 174.720 175.900 -0.117 0.000 1.191 112 Y CA -1.017 56.981 58.100 -0.171 0.000 1.082 112 Y CB 0.695 39.086 38.460 -0.115 0.000 1.334 112 Y HN -0.075 nan 8.280 nan 0.000 0.449 113 S N 3.664 119.346 115.700 -0.029 0.000 2.433 113 S HA 0.590 5.060 4.470 -0.000 0.000 0.310 113 S C -0.992 173.726 174.600 0.196 0.000 1.097 113 S CA -0.630 57.593 58.200 0.039 0.000 1.103 113 S CB 0.584 63.776 63.200 -0.012 0.000 0.992 113 S HN 0.810 nan 8.310 nan 0.000 0.469 114 L N 5.105 126.554 121.223 0.377 0.000 2.935 114 L HA 0.505 4.845 4.340 -0.000 0.000 0.243 114 L C 0.685 177.779 176.870 0.372 0.000 1.313 114 L CA -0.279 54.834 54.840 0.456 0.000 0.969 114 L CB -0.086 42.275 42.059 0.503 0.000 1.320 114 L HN 0.705 nan 8.230 nan 0.000 0.511 115 R N 0.749 121.449 120.500 0.334 0.000 2.489 115 R HA 0.593 4.933 4.340 -0.000 0.000 0.287 115 R C -0.075 176.380 176.300 0.257 0.000 1.053 115 R CA 0.613 56.885 56.100 0.287 0.000 1.036 115 R CB 0.841 nan 30.300 nan 0.000 0.966 115 R HN 0.464 nan 8.270 nan 0.000 0.432 116 S N -0.280 115.527 115.700 0.179 0.000 2.632 116 S HA 0.837 5.307 4.470 -0.000 0.000 0.289 116 S C -1.339 173.255 174.600 -0.011 0.000 1.115 116 S CA 0.030 58.297 58.200 0.111 0.000 0.889 116 S CB 1.992 65.302 63.200 0.183 0.000 1.116 116 S HN 1.760 nan 8.310 nan 0.000 0.486 117 A N 3.001 125.778 122.820 -0.073 0.000 2.651 117 A HA 0.573 4.893 4.320 -0.000 0.000 0.290 117 A C -1.026 176.594 177.584 0.060 0.000 1.185 117 A CA -0.723 51.194 52.037 -0.201 0.000 0.746 117 A CB 0.097 18.793 19.000 -0.506 0.000 1.213 117 A HN 0.811 nan 8.150 nan 0.000 0.429 118 N N 0.877 119.698 118.700 0.202 0.000 2.354 118 N HA 0.804 5.544 4.740 -0.000 0.000 0.287 118 N C -0.023 175.615 175.510 0.213 0.000 1.016 118 N CA -0.478 52.655 53.050 0.139 0.000 0.871 118 N CB 1.955 40.414 38.487 -0.047 0.000 1.299 118 N HN 0.870 nan 8.380 nan 0.000 0.482 119 R N 1.315 121.822 120.500 0.011 0.000 2.752 119 R HA 0.640 4.980 4.340 -0.000 0.000 0.271 119 R C -1.825 174.272 176.300 -0.338 0.000 1.026 119 R CA -0.551 55.391 56.100 -0.263 0.000 0.901 119 R CB 0.784 30.567 30.300 -0.861 0.000 1.243 119 R HN 0.564 nan 8.270 nan 0.000 0.463 120 I N 2.051 122.447 120.570 -0.291 0.000 2.410 120 I HA 0.522 4.692 4.170 -0.000 0.000 0.286 120 I C -1.320 174.768 176.117 -0.049 0.000 1.009 120 I CA -1.025 60.181 61.300 -0.156 0.000 1.111 120 I CB 1.823 39.809 38.000 -0.023 0.000 1.262 120 I HN 0.614 nan 8.210 nan 0.000 0.443 121 Y N 6.140 126.420 120.300 -0.033 0.000 2.342 121 Y HA 0.538 5.088 4.550 -0.000 0.000 0.338 121 Y C 0.124 175.998 175.900 -0.044 0.000 0.965 121 Y CA -1.097 56.962 58.100 -0.069 0.000 1.159 121 Y CB 1.440 39.900 38.460 0.000 0.000 1.157 121 Y HN 0.119 nan 8.280 nan 0.000 0.486 122 V N 0.505 120.426 119.914 0.011 0.000 3.103 122 V HA 0.820 4.940 4.120 -0.000 0.000 0.318 122 V C 0.264 176.239 176.094 -0.198 0.000 1.114 122 V CA -1.408 60.894 62.300 0.002 0.000 1.020 122 V CB 1.178 33.023 31.823 0.038 0.000 1.085 122 V HN 0.713 nan 8.190 nan 0.000 0.446 123 E N 0.073 120.278 120.200 0.008 0.000 2.373 123 E HA 0.469 4.819 4.350 -0.000 0.000 0.263 123 E C 1.267 177.790 176.600 -0.129 0.000 1.073 123 E CA 0.050 56.359 56.400 -0.152 0.000 0.894 123 E CB 0.263 29.945 29.700 -0.029 0.000 1.008 123 E HN 1.028 nan 8.360 nan 0.000 0.420 124 K N 0.390 120.685 120.400 -0.175 0.000 2.218 124 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 124 K C 2.375 178.910 176.600 -0.109 0.000 1.046 124 K CA 2.455 58.663 56.287 -0.132 0.000 0.933 124 K CB -1.173 nan 32.500 nan 0.000 0.728 124 K HN 0.802 nan 8.250 nan 0.000 0.454 125 T N -0.821 113.636 114.554 -0.162 0.000 2.701 125 T HA -0.077 4.273 4.350 -0.000 0.000 0.263 125 T C 0.878 175.477 174.700 -0.168 0.000 1.040 125 T CA 0.728 62.701 62.100 -0.213 0.000 1.147 125 T CB -0.528 68.123 68.868 -0.362 0.000 0.865 125 T HN 0.480 nan 8.240 nan 0.000 0.426 126 Y N 1.734 122.006 120.300 -0.045 0.000 2.709 126 Y HA 0.391 4.941 4.550 -0.000 0.000 0.348 126 Y C 0.828 176.702 175.900 -0.043 0.000 1.267 126 Y CA -0.402 57.672 58.100 -0.043 0.000 1.486 126 Y CB 0.027 38.458 38.460 -0.048 0.000 1.356 126 Y HN 0.373 nan 8.280 nan 0.000 0.639 127 A N 1.848 124.768 122.820 0.166 0.000 2.271 127 A HA 0.725 5.045 4.320 -0.000 0.000 0.317 127 A C -0.692 176.913 177.584 0.034 0.000 1.245 127 A CA -0.587 51.492 52.037 0.070 0.000 0.857 127 A CB -0.263 18.769 19.000 0.053 0.000 1.175 127 A HN 0.967 nan 8.150 nan 0.000 0.512 128 L N 1.820 123.057 121.223 0.023 0.000 2.265 128 L HA 0.750 5.090 4.340 -0.000 0.000 0.288 128 L C 0.439 177.328 176.870 0.033 0.000 1.058 128 L CA -0.184 54.664 54.840 0.014 0.000 0.809 128 L CB 0.094 42.170 42.059 0.028 0.000 1.179 128 L HN 1.563 nan 8.230 nan 0.000 0.429 129 L N 3.596 124.839 121.223 0.034 0.000 2.356 129 L HA 0.522 4.861 4.340 -0.000 0.000 0.282 129 L C -0.182 176.738 176.870 0.084 0.000 1.132 129 L CA -1.091 53.778 54.840 0.048 0.000 0.923 129 L CB -0.728 41.352 42.059 0.035 0.000 1.278 129 L HN 0.775 nan 8.230 nan 0.000 0.436 130 P HA -0.361 nan 4.420 nan 0.000 0.235 130 P C 1.860 179.205 177.300 0.075 0.000 1.116 130 P CA 2.781 65.922 63.100 0.069 0.000 0.991 130 P CB -0.047 31.677 31.700 0.041 0.000 0.764 131 T N -2.554 112.038 114.554 0.064 0.000 2.649 131 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 131 T C 1.509 176.241 174.700 0.054 0.000 1.036 131 T CA 1.976 64.105 62.100 0.048 0.000 1.157 131 T CB -1.329 67.563 68.868 0.040 0.000 0.861 131 T HN 0.209 nan 8.240 nan 0.000 0.445 132 Y N 2.096 122.393 120.300 -0.005 0.000 2.128 132 Y HA -0.125 4.425 4.550 -0.000 0.000 0.284 132 Y C 2.124 178.034 175.900 0.017 0.000 1.154 132 Y CA 1.186 59.284 58.100 -0.004 0.000 1.149 132 Y CB -0.520 37.933 38.460 -0.012 0.000 0.976 132 Y HN 0.136 nan 8.280 nan 0.000 0.505 133 L N -0.304 120.995 121.223 0.127 0.000 2.046 133 L HA -0.284 4.056 4.340 -0.000 0.000 0.208 133 L C 2.954 179.812 176.870 -0.019 0.000 1.077 133 L CA 1.630 56.508 54.840 0.063 0.000 0.747 133 L CB -1.605 40.513 42.059 0.099 0.000 0.896 133 L HN 0.420 nan 8.230 nan 0.000 0.432 134 Q N 0.745 120.539 119.800 -0.011 0.000 2.084 134 Q HA -0.162 4.177 4.340 -0.000 0.000 0.202 134 Q C 2.148 178.128 176.000 -0.034 0.000 0.978 134 Q CA 1.989 57.783 55.803 -0.015 0.000 0.844 134 Q CB -0.960 27.776 28.738 -0.003 0.000 0.898 134 Q HN 0.596 nan 8.270 nan 0.000 0.426 135 L N 0.033 121.206 121.223 -0.083 0.000 2.095 135 L HA -0.074 4.266 4.340 -0.000 0.000 0.204 135 L C 2.871 179.666 176.870 -0.124 0.000 1.080 135 L CA 1.288 56.075 54.840 -0.088 0.000 0.759 135 L CB -0.248 41.694 42.059 -0.196 0.000 0.914 135 L HN 0.327 nan 8.230 nan 0.000 0.439 136 S N 0.116 115.654 115.700 -0.270 0.000 2.356 136 S HA -0.233 4.237 4.470 -0.000 0.000 0.223 136 S C 2.486 177.097 174.600 0.019 0.000 1.032 136 S CA 1.857 59.986 58.200 -0.117 0.000 1.005 136 S CB -0.414 62.636 63.200 -0.250 0.000 0.867 136 S HN 0.483 nan 8.310 nan 0.000 0.449 137 K N 1.371 121.766 120.400 -0.008 0.000 2.063 137 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 137 K C 2.249 178.846 176.600 -0.005 0.000 1.048 137 K CA 2.126 58.425 56.287 0.020 0.000 0.928 137 K CB -1.733 30.775 32.500 0.013 0.000 0.713 137 K HN 0.561 nan 8.250 nan 0.000 0.442 138 K N 0.082 120.469 120.400 -0.022 0.000 1.991 138 K HA -0.120 4.200 4.320 -0.000 0.000 0.212 138 K C 2.328 178.812 176.600 -0.193 0.000 1.049 138 K CA 1.925 58.158 56.287 -0.091 0.000 0.932 138 K CB -1.057 31.402 32.500 -0.068 0.000 0.717 138 K HN 0.684 nan 8.250 nan 0.000 0.441 139 Y N -1.349 118.697 120.300 -0.424 0.000 2.301 139 Y HA 0.147 4.697 4.550 -0.000 0.000 0.295 139 Y C 1.739 177.278 175.900 -0.601 0.000 1.119 139 Y CA 0.446 58.152 58.100 -0.658 0.000 1.162 139 Y CB -0.106 37.612 38.460 -1.237 0.000 1.046 139 Y HN 0.319 nan 8.280 nan 0.000 0.538 140 Y N 0.172 120.539 120.300 0.112 0.000 2.625 140 Y HA 0.358 4.908 4.550 -0.000 0.000 0.285 140 Y C 1.374 177.316 175.900 0.070 0.000 1.168 140 Y CA -0.601 57.539 58.100 0.066 0.000 1.250 140 Y CB -0.991 37.467 38.460 -0.003 0.000 1.130 140 Y HN 0.047 nan 8.280 nan 0.000 0.526 141 K N 0.319 120.805 120.400 0.142 0.000 3.585 141 K HA 0.048 4.368 4.320 -0.000 0.000 0.272 141 K C 0.089 176.793 176.600 0.173 0.000 0.828 141 K CA 1.114 57.478 56.287 0.129 0.000 0.631 141 K CB -2.145 30.428 32.500 0.123 0.000 1.636 141 K HN 0.796 nan 8.250 nan 0.000 0.448 142 A N 0.154 123.078 122.820 0.173 0.000 2.517 142 A HA 0.691 5.011 4.320 -0.000 0.000 0.297 142 A C -0.872 176.784 177.584 0.121 0.000 1.050 142 A CA -0.440 51.701 52.037 0.173 0.000 0.694 142 A CB 1.167 20.285 19.000 0.197 0.000 1.277 142 A HN 0.656 nan 8.150 nan 0.000 0.400 143 E N 2.107 122.364 120.200 0.095 0.000 2.210 143 E HA 0.553 4.903 4.350 -0.000 0.000 0.266 143 E C -2.883 173.753 176.600 0.061 0.000 0.883 143 E CA -1.945 54.504 56.400 0.081 0.000 0.761 143 E CB 1.838 31.578 29.700 0.066 0.000 1.156 143 E HN 0.345 nan 8.360 nan 0.000 0.412 144 P HA -0.006 nan 4.420 nan 0.000 0.271 144 P C -1.019 176.316 177.300 0.058 0.000 1.220 144 P CA -0.139 63.015 63.100 0.089 0.000 0.768 144 P CB 0.531 32.315 31.700 0.140 0.000 0.848 145 Q N 1.656 121.507 119.800 0.085 0.000 2.290 145 Q HA 0.235 4.574 4.340 -0.000 0.000 0.259 145 Q C -0.324 175.635 176.000 -0.068 0.000 0.941 145 Q CA -0.571 55.227 55.803 -0.009 0.000 0.912 145 Q CB 1.007 29.690 28.738 -0.091 0.000 1.244 145 Q HN 0.094 nan 8.270 nan 0.000 0.441 146 K N 1.451 121.787 120.400 -0.107 0.000 2.312 146 K HA 0.418 4.737 4.320 -0.000 0.000 0.287 146 K C 0.310 176.757 176.600 -0.255 0.000 1.062 146 K CA -0.418 55.782 56.287 -0.145 0.000 0.934 146 K CB 0.445 32.891 32.500 -0.090 0.000 1.027 146 K HN 0.564 nan 8.250 nan 0.000 0.478 147 V N -0.730 118.944 119.914 -0.401 0.000 3.113 147 V HA 0.535 4.655 4.120 -0.000 0.000 0.316 147 V C 0.114 175.926 176.094 -0.471 0.000 1.125 147 V CA -1.214 60.796 62.300 -0.483 0.000 1.026 147 V CB 2.129 33.547 31.823 -0.675 0.000 1.080 147 V HN 0.850 nan 8.190 nan 0.000 0.444 148 N N 0.577 119.089 118.700 -0.313 0.000 2.767 148 N HA 0.347 5.087 4.740 -0.000 0.000 0.238 148 N C 0.010 175.508 175.510 -0.020 0.000 1.083 148 N CA -0.330 52.620 53.050 -0.167 0.000 0.964 148 N CB 0.298 38.732 38.487 -0.088 0.000 1.252 148 N HN 0.798 nan 8.380 nan 0.000 0.512 149 F N 2.043 121.974 119.950 -0.031 0.000 2.416 149 F HA -0.044 4.483 4.527 -0.000 0.000 0.296 149 F C 2.721 178.507 175.800 -0.022 0.000 1.099 149 F CA 0.273 58.264 58.000 -0.015 0.000 1.427 149 F CB 0.178 39.183 39.000 0.008 0.000 1.079 149 F HN 0.465 nan 8.300 nan 0.000 0.536 150 K N -0.234 120.254 120.400 0.147 0.000 2.089 150 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 150 K C 1.678 178.302 176.600 0.039 0.000 1.048 150 K CA 2.274 58.595 56.287 0.057 0.000 0.926 150 K CB -1.412 nan 32.500 nan 0.000 0.714 150 K HN 0.257 nan 8.250 nan 0.000 0.448 151 T N -3.085 111.492 114.554 0.037 0.000 3.328 151 T HA 0.555 4.905 4.350 -0.000 0.000 0.305 151 T C -0.093 174.624 174.700 0.029 0.000 0.939 151 T CA 0.624 62.738 62.100 0.024 0.000 0.950 151 T CB 0.014 68.885 68.868 0.005 0.000 1.182 151 T HN 0.674 nan 8.240 nan 0.000 0.545 152 A N 2.095 124.946 122.820 0.052 0.000 3.045 152 A HA 0.527 4.847 4.320 -0.000 0.000 0.244 152 A C -1.637 176.007 177.584 0.100 0.000 0.917 152 A CA -0.708 51.361 52.037 0.053 0.000 1.075 152 A CB 0.618 19.634 19.000 0.028 0.000 1.202 152 A HN 0.307 nan 8.150 nan 0.000 0.486 153 P HA -0.157 nan 4.420 nan 0.000 0.213 153 P C 1.440 178.788 177.300 0.079 0.000 1.170 153 P CA 2.454 65.615 63.100 0.103 0.000 0.893 153 P CB 0.065 31.783 31.700 0.031 0.000 0.784 154 E N 0.623 120.851 120.200 0.048 0.000 2.267 154 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 154 E C 2.076 178.708 176.600 0.053 0.000 0.998 154 E CA 1.794 58.219 56.400 0.042 0.000 0.830 154 E CB -1.281 28.436 29.700 0.029 0.000 0.751 154 E HN 0.579 nan 8.360 nan 0.000 0.491 155 Q N -0.410 119.424 119.800 0.057 0.000 2.084 155 Q HA -0.074 4.266 4.340 -0.000 0.000 0.194 155 Q C 2.532 178.569 176.000 0.062 0.000 0.969 155 Q CA 1.218 57.051 55.803 0.049 0.000 0.829 155 Q CB -0.057 28.700 28.738 0.031 0.000 0.904 155 Q HN 0.440 nan 8.270 nan 0.000 0.464 156 S N 1.266 117.018 115.700 0.087 0.000 2.378 156 S HA -0.338 4.132 4.470 -0.000 0.000 0.229 156 S C 1.796 176.477 174.600 0.135 0.000 1.052 156 S CA 1.862 60.122 58.200 0.100 0.000 1.084 156 S CB -0.616 62.750 63.200 0.277 0.000 0.950 156 S HN 0.461 nan 8.310 nan 0.000 0.440 157 R N 1.618 122.219 120.500 0.168 0.000 2.122 157 R HA -0.244 4.096 4.340 -0.000 0.000 0.236 157 R C 2.503 178.881 176.300 0.129 0.000 1.129 157 R CA 2.535 58.725 56.100 0.150 0.000 0.925 157 R CB -0.779 29.579 30.300 0.097 0.000 0.850 157 R HN 0.399 nan 8.270 nan 0.000 0.431 158 K N -0.179 120.278 120.400 0.095 0.000 2.089 158 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 158 K C 2.367 179.026 176.600 0.099 0.000 1.048 158 K CA 2.665 59.004 56.287 0.086 0.000 0.926 158 K CB -1.883 30.654 32.500 0.062 0.000 0.714 158 K HN 0.755 nan 8.250 nan 0.000 0.448 159 E N 0.984 121.229 120.200 0.075 0.000 2.058 159 E HA -0.132 4.217 4.350 -0.000 0.000 0.194 159 E C 2.128 178.809 176.600 0.136 0.000 0.997 159 E CA 1.620 58.053 56.400 0.055 0.000 0.801 159 E CB -0.651 nan 29.700 nan 0.000 0.746 159 E HN 0.720 nan 8.360 nan 0.000 0.450 160 I N 1.062 121.742 120.570 0.184 0.000 2.090 160 I HA -0.260 3.909 4.170 -0.000 0.000 0.236 160 I C 2.475 178.813 176.117 0.369 0.000 1.064 160 I CA 1.776 63.323 61.300 0.411 0.000 1.324 160 I CB -0.619 37.663 38.000 0.471 0.000 1.044 160 I HN 0.316 nan 8.210 nan 0.000 0.399 161 N N 0.038 118.888 118.700 0.250 0.000 2.417 161 N HA -0.162 4.578 4.740 -0.000 0.000 0.187 161 N C 1.501 177.120 175.510 0.182 0.000 1.027 161 N CA 1.503 54.670 53.050 0.195 0.000 0.891 161 N CB -0.119 38.451 38.487 0.139 0.000 0.956 161 N HN 0.451 nan 8.380 nan 0.000 0.442 162 T N -0.571 114.104 114.554 0.203 0.000 2.901 162 T HA -0.087 4.263 4.350 -0.000 0.000 0.252 162 T C 1.245 176.079 174.700 0.224 0.000 1.035 162 T CA 0.239 62.442 62.100 0.173 0.000 1.142 162 T CB -0.276 68.679 68.868 0.145 0.000 0.869 162 T HN 0.389 nan 8.240 nan 0.000 0.442 163 W N 2.461 123.829 121.300 0.114 0.000 2.321 163 W HA -0.207 4.453 4.660 -0.000 0.000 0.306 163 W C 1.934 178.515 176.519 0.105 0.000 1.217 163 W CA 0.899 58.320 57.345 0.126 0.000 1.257 163 W CB -0.784 28.803 29.460 0.211 0.000 1.145 163 W HN -0.023 nan 8.180 nan 0.000 0.509 164 V N 0.456 120.502 119.914 0.220 0.000 2.233 164 V HA -0.369 3.751 4.120 -0.000 0.000 0.247 164 V C 2.198 178.259 176.094 -0.056 0.000 1.050 164 V CA 2.478 64.789 62.300 0.018 0.000 1.010 164 V CB -1.363 30.541 31.823 0.134 0.000 0.637 164 V HN 0.233 nan 8.190 nan 0.000 0.444 165 E N 0.348 120.561 120.200 0.023 0.000 2.097 165 E HA -0.303 4.047 4.350 -0.000 0.000 0.196 165 E C 2.419 178.987 176.600 -0.053 0.000 1.000 165 E CA 2.273 58.674 56.400 0.002 0.000 0.804 165 E CB -0.196 29.525 29.700 0.035 0.000 0.740 165 E HN 0.657 nan 8.360 nan 0.000 0.454 166 K N 0.429 120.789 120.400 -0.066 0.000 2.057 166 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 166 K C 1.931 178.429 176.600 -0.170 0.000 1.050 166 K CA 1.454 57.687 56.287 -0.091 0.000 0.935 166 K CB -0.642 31.830 32.500 -0.047 0.000 0.715 166 K HN 0.093 nan 8.250 nan 0.000 0.439 167 Q N 0.167 119.777 119.800 -0.316 0.000 2.436 167 Q HA -0.052 4.287 4.340 -0.000 0.000 0.209 167 Q C 1.667 177.555 176.000 -0.187 0.000 0.965 167 Q CA 1.745 57.337 55.803 -0.351 0.000 0.910 167 Q CB 0.242 28.534 28.738 -0.743 0.000 0.980 167 Q HN 0.837 nan 8.270 nan 0.000 0.491 168 T N -3.092 111.373 114.554 -0.148 0.000 3.092 168 T HA 0.137 4.487 4.350 -0.000 0.000 0.258 168 T C 0.119 174.644 174.700 -0.291 0.000 1.031 168 T CA -0.188 61.864 62.100 -0.080 0.000 0.925 168 T CB 0.449 69.327 68.868 0.016 0.000 1.036 168 T HN -0.010 nan 8.240 nan 0.000 0.544 169 E N 0.474 120.511 120.200 -0.271 0.000 2.759 169 E HA -0.171 4.179 4.350 -0.000 0.000 0.280 169 E C 0.429 176.871 176.600 -0.264 0.000 1.009 169 E CA 0.833 57.025 56.400 -0.346 0.000 0.849 169 E CB -2.443 26.828 29.700 -0.714 0.000 1.415 169 E HN 0.727 nan 8.360 nan 0.000 0.412 170 S N -3.990 111.618 115.700 -0.153 0.000 3.490 170 S HA -0.326 4.144 4.470 -0.000 0.000 0.301 170 S C 1.310 175.875 174.600 -0.058 0.000 1.233 170 S CA 2.108 60.260 58.200 -0.081 0.000 0.914 170 S CB -1.744 61.415 63.200 -0.068 0.000 1.047 170 S HN 0.768 nan 8.310 nan 0.000 0.602 171 K N -0.032 120.337 120.400 -0.051 0.000 2.356 171 K HA 0.476 4.796 4.320 -0.000 0.000 0.195 171 K C 0.425 177.111 176.600 0.143 0.000 1.037 171 K CA 0.982 57.288 56.287 0.032 0.000 1.014 171 K CB 0.129 32.683 32.500 0.090 0.000 0.815 171 K HN 0.553 nan 8.250 nan 0.000 0.507 172 I N 2.222 122.886 120.570 0.158 0.000 2.330 172 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 172 I C 1.110 177.291 176.117 0.106 0.000 1.025 172 I CA -0.741 60.665 61.300 0.177 0.000 1.197 172 I CB 0.333 38.439 38.000 0.176 0.000 1.358 172 I HN 0.362 nan 8.210 nan 0.000 0.467 173 K N 6.718 127.176 120.400 0.096 0.000 2.613 173 K HA 0.094 4.414 4.320 -0.000 0.000 0.186 173 K C 0.616 177.267 176.600 0.085 0.000 1.126 173 K CA 0.416 56.749 56.287 0.076 0.000 1.230 173 K CB -0.473 32.065 32.500 0.064 0.000 1.713 173 K HN 0.669 nan 8.250 nan 0.000 0.491 174 N N 1.737 120.485 118.700 0.080 0.000 2.605 174 N HA 0.059 4.799 4.740 -0.000 0.000 0.282 174 N C 0.813 176.377 175.510 0.091 0.000 1.206 174 N CA -0.065 53.035 53.050 0.083 0.000 1.074 174 N CB 0.690 39.219 38.487 0.069 0.000 1.434 174 N HN 0.430 nan 8.380 nan 0.000 0.506 175 L N 1.882 123.168 121.223 0.104 0.000 2.042 175 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 175 L C 0.436 177.364 176.870 0.097 0.000 1.076 175 L CA 1.685 56.588 54.840 0.106 0.000 0.749 175 L CB 0.057 42.187 42.059 0.118 0.000 0.893 175 L HN 0.405 nan 8.230 nan 0.000 0.432 176 L N -0.489 120.793 121.223 0.099 0.000 2.317 176 L HA 0.373 4.713 4.340 -0.000 0.000 0.281 176 L C 0.121 177.029 176.870 0.063 0.000 1.024 176 L CA -0.513 54.375 54.840 0.081 0.000 0.810 176 L CB 1.567 43.682 42.059 0.093 0.000 1.240 176 L HN -0.099 nan 8.230 nan 0.000 0.427 177 S N 0.247 115.975 115.700 0.046 0.000 2.617 177 S HA 0.108 4.578 4.470 -0.000 0.000 0.283 177 S C 0.989 175.602 174.600 0.022 0.000 1.189 177 S CA -0.532 57.689 58.200 0.036 0.000 1.036 177 S CB 1.812 65.031 63.200 0.032 0.000 1.014 177 S HN 0.718 nan 8.310 nan 0.000 0.522 178 S N 1.190 116.902 115.700 0.020 0.000 2.428 178 S HA -0.193 4.277 4.470 -0.000 0.000 0.240 178 S C 1.034 175.632 174.600 -0.004 0.000 1.036 178 S CA 1.786 59.992 58.200 0.010 0.000 1.009 178 S CB -0.531 62.676 63.200 0.012 0.000 0.803 178 S HN 0.724 nan 8.310 nan 0.000 0.486 179 D N 0.067 120.465 120.400 -0.003 0.000 2.348 179 D HA 0.023 4.663 4.640 -0.000 0.000 0.211 179 D C 0.856 177.141 176.300 -0.024 0.000 0.998 179 D CA 0.297 54.289 54.000 -0.012 0.000 0.873 179 D CB -0.223 40.574 40.800 -0.005 0.000 0.925 179 D HN 0.505 nan 8.370 nan 0.000 0.524 180 D N 0.666 121.054 120.400 -0.020 0.000 2.354 180 D HA 0.034 4.674 4.640 -0.000 0.000 0.209 180 D C 0.320 176.570 176.300 -0.082 0.000 1.015 180 D CA 0.347 54.328 54.000 -0.031 0.000 0.867 180 D CB 1.668 42.468 40.800 0.001 0.000 0.933 180 D HN 0.035 nan 8.370 nan 0.000 0.520 181 V N 1.351 121.209 119.914 -0.094 0.000 2.483 181 V HA 0.337 4.457 4.120 -0.000 0.000 0.297 181 V C -0.016 175.986 176.094 -0.153 0.000 1.027 181 V CA -0.680 61.508 62.300 -0.187 0.000 0.855 181 V CB 2.479 34.229 31.823 -0.121 0.000 0.995 181 V HN -0.174 nan 8.190 nan 0.000 0.424 182 K N 2.059 122.333 120.400 -0.211 0.000 2.399 182 K HA 0.756 5.076 4.320 -0.000 0.000 0.260 182 K C 0.851 177.388 176.600 -0.105 0.000 1.049 182 K CA -0.361 55.856 56.287 -0.117 0.000 0.890 182 K CB 2.242 34.692 32.500 -0.083 0.000 1.430 182 K HN 0.515 nan 8.250 nan 0.000 0.459 183 A N 0.055 122.854 122.820 -0.034 0.000 2.119 183 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 183 A C 1.408 178.996 177.584 0.005 0.000 1.152 183 A CA 1.420 53.462 52.037 0.009 0.000 0.708 183 A CB -0.552 18.455 19.000 0.012 0.000 0.805 183 A HN 0.689 nan 8.150 nan 0.000 0.460 184 T N 0.138 114.677 114.554 -0.025 0.000 3.067 184 T HA 0.029 4.379 4.350 -0.000 0.000 0.261 184 T C 0.851 175.538 174.700 -0.021 0.000 1.110 184 T CA 0.830 62.921 62.100 -0.015 0.000 1.113 184 T CB -0.322 68.532 68.868 -0.023 0.000 0.917 184 T HN 0.400 nan 8.240 nan 0.000 0.499 185 T N 1.919 116.416 114.554 -0.095 0.000 2.940 185 T HA 0.480 4.830 4.350 -0.000 0.000 0.309 185 T C 1.320 176.055 174.700 0.058 0.000 1.056 185 T CA 0.232 62.223 62.100 -0.182 0.000 1.137 185 T CB 1.149 69.621 68.868 -0.660 0.000 0.976 185 T HN 0.470 nan 8.240 nan 0.000 0.547 186 R N 1.600 122.178 120.500 0.130 0.000 2.580 186 R HA 0.614 4.954 4.340 -0.000 0.000 0.169 186 R C 0.044 176.552 176.300 0.347 0.000 1.399 186 R CA 0.032 56.321 56.100 0.315 0.000 1.206 186 R CB -0.436 29.963 30.300 0.165 0.000 1.215 186 R HN 0.528 nan 8.270 nan 0.000 0.486 187 L N 1.839 123.136 121.223 0.124 0.000 2.319 187 L HA 0.685 5.025 4.340 -0.000 0.000 0.281 187 L C -1.093 175.840 176.870 0.105 0.000 1.005 187 L CA -0.840 54.055 54.840 0.093 0.000 0.828 187 L CB 1.653 43.628 42.059 -0.140 0.000 1.227 187 L HN 0.412 nan 8.230 nan 0.000 0.415 188 I N 6.122 126.830 120.570 0.230 0.000 2.355 188 I HA 0.278 4.448 4.170 -0.000 0.000 0.288 188 I C -0.936 175.217 176.117 0.060 0.000 0.999 188 I CA -0.753 60.638 61.300 0.151 0.000 1.163 188 I CB 1.753 39.895 38.000 0.237 0.000 1.316 188 I HN 0.499 nan 8.210 nan 0.000 0.454 189 L N 9.722 130.953 121.223 0.012 0.000 2.262 189 L HA 0.478 4.818 4.340 -0.000 0.000 0.288 189 L C -0.300 176.557 176.870 -0.021 0.000 1.035 189 L CA -0.301 54.517 54.840 -0.038 0.000 0.820 189 L CB 1.253 43.299 42.059 -0.022 0.000 1.204 189 L HN 0.407 nan 8.230 nan 0.000 0.424 190 V N 3.801 123.681 119.914 -0.056 0.000 2.532 190 V HA 0.731 4.851 4.120 -0.000 0.000 0.295 190 V C -0.712 175.394 176.094 0.020 0.000 1.041 190 V CA -0.260 62.046 62.300 0.011 0.000 0.926 190 V CB 1.641 33.495 31.823 0.051 0.000 0.992 190 V HN 1.012 nan 8.190 nan 0.000 0.457 191 N N 3.557 122.265 118.700 0.013 0.000 2.571 191 N HA 0.753 5.493 4.740 -0.000 0.000 0.286 191 N C -0.705 174.696 175.510 -0.181 0.000 1.138 191 N CA -0.469 52.559 53.050 -0.036 0.000 0.859 191 N CB 2.024 40.504 38.487 -0.012 0.000 1.414 191 N HN 1.064 nan 8.380 nan 0.000 0.529 192 A N 2.290 125.011 122.820 -0.166 0.000 2.468 192 A HA 0.946 5.266 4.320 -0.000 0.000 0.270 192 A C -0.838 176.629 177.584 -0.194 0.000 1.217 192 A CA -0.920 50.967 52.037 -0.250 0.000 0.908 192 A CB 1.386 20.320 19.000 -0.109 0.000 1.423 192 A HN 0.756 nan 8.150 nan 0.000 0.459 193 I N -1.069 119.407 120.570 -0.155 0.000 2.743 193 I HA 0.294 4.463 4.170 -0.000 0.000 0.284 193 I C -1.669 174.453 176.117 0.008 0.000 1.596 193 I CA -0.421 60.858 61.300 -0.035 0.000 1.066 193 I CB 1.166 39.131 38.000 -0.059 0.000 1.473 193 I HN 0.883 nan 8.210 nan 0.000 0.428 194 Y N 7.926 128.246 120.300 0.032 0.000 2.436 194 Y HA 0.731 5.281 4.550 -0.000 0.000 0.336 194 Y C -1.355 174.729 175.900 0.306 0.000 1.318 194 Y CA -0.391 57.775 58.100 0.109 0.000 1.493 194 Y CB 1.507 40.076 38.460 0.183 0.000 1.547 194 Y HN 0.517 nan 8.280 nan 0.000 0.549 195 F N 1.122 120.649 119.950 -0.705 0.000 2.701 195 F HA 0.418 4.945 4.527 -0.000 0.000 0.310 195 F C -1.770 173.644 175.800 -0.645 0.000 0.975 195 F CA -0.544 57.148 58.000 -0.513 0.000 1.118 195 F CB -0.346 38.504 39.000 -0.250 0.000 1.399 195 F HN 0.606 nan 8.300 nan 0.000 0.662 196 K N 3.431 123.052 120.400 -1.298 0.000 2.378 196 K HA 1.036 5.356 4.320 -0.000 0.000 0.252 196 K C -1.450 174.525 176.600 -1.041 0.000 0.931 196 K CA -0.484 55.222 56.287 -0.969 0.000 0.794 196 K CB 1.830 34.035 32.500 -0.492 0.000 1.181 196 K HN 1.883 nan 8.250 nan 0.000 0.425 197 A N 0.897 123.238 122.820 -0.799 0.000 2.512 197 A HA 0.692 5.012 4.320 -0.000 0.000 0.294 197 A C -0.325 177.152 177.584 -0.178 0.000 1.054 197 A CA 0.130 51.863 52.037 -0.506 0.000 0.756 197 A CB 0.405 18.880 19.000 -0.875 0.000 1.293 197 A HN 1.557 nan 8.150 nan 0.000 0.395 198 E N 1.341 121.524 120.200 -0.028 0.000 2.343 198 E HA 0.525 4.874 4.350 -0.000 0.000 0.269 198 E C -0.209 176.493 176.600 0.170 0.000 1.047 198 E CA -0.434 55.978 56.400 0.020 0.000 0.874 198 E CB 0.532 30.255 29.700 0.039 0.000 1.033 198 E HN 0.736 nan 8.360 nan 0.000 0.409 199 W N 0.098 121.437 121.300 0.065 0.000 1.975 199 W HA 0.288 4.948 4.660 -0.000 0.000 0.359 199 W C 1.108 177.605 176.519 -0.037 0.000 1.363 199 W CA 0.094 57.394 57.345 -0.075 0.000 1.376 199 W CB 0.659 30.059 29.460 -0.100 0.000 1.231 199 W HN 0.746 nan 8.180 nan 0.000 0.641 200 E N 0.391 120.734 120.200 0.239 0.000 2.109 200 E HA 0.375 4.725 4.350 -0.000 0.000 0.278 200 E C -0.892 175.714 176.600 0.011 0.000 0.954 200 E CA -0.482 55.977 56.400 0.098 0.000 0.779 200 E CB 0.628 30.366 29.700 0.064 0.000 1.093 200 E HN 0.336 nan 8.360 nan 0.000 0.401 201 V N 3.400 123.300 119.914 -0.024 0.000 5.149 201 V HA -0.215 3.905 4.120 -0.000 0.000 0.365 201 V C -0.390 175.604 176.094 -0.167 0.000 0.607 201 V CA 0.593 62.814 62.300 -0.131 0.000 1.433 201 V CB -1.650 30.030 31.823 -0.237 0.000 1.723 201 V HN 0.844 nan 8.190 nan 0.000 0.491 202 K N 2.983 123.365 120.400 -0.031 0.000 2.319 202 K HA 0.582 4.902 4.320 -0.000 0.000 0.265 202 K C 0.136 176.710 176.600 -0.043 0.000 1.000 202 K CA -0.177 56.160 56.287 0.084 0.000 0.943 202 K CB 0.400 32.986 32.500 0.143 0.000 0.950 202 K HN 0.347 nan 8.250 nan 0.000 0.485 203 F N 1.159 121.086 119.950 -0.037 0.000 2.378 203 F HA 0.101 4.628 4.527 -0.000 0.000 0.319 203 F C 0.960 176.738 175.800 -0.035 0.000 1.155 203 F CA -0.294 57.659 58.000 -0.079 0.000 1.157 203 F CB 0.557 39.510 39.000 -0.078 0.000 1.252 203 F HN 0.258 nan 8.300 nan 0.000 0.550 204 Q N 1.018 120.912 119.800 0.157 0.000 2.303 204 Q HA 0.445 4.785 4.340 -0.000 0.000 0.257 204 Q C 0.504 176.572 176.000 0.112 0.000 0.941 204 Q CA -0.350 55.510 55.803 0.095 0.000 0.931 204 Q CB 1.637 30.405 28.738 0.051 0.000 1.215 204 Q HN 0.842 nan 8.270 nan 0.000 0.437 205 A N 3.346 126.216 122.820 0.083 0.000 2.019 205 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 205 A C 1.580 179.199 177.584 0.059 0.000 1.164 205 A CA 1.172 53.247 52.037 0.063 0.000 0.644 205 A CB -0.108 18.918 19.000 0.043 0.000 0.805 205 A HN 0.783 nan 8.150 nan 0.000 0.449 206 E N -0.087 120.148 120.200 0.058 0.000 2.333 206 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 206 E C 1.321 177.963 176.600 0.071 0.000 1.007 206 E CA 0.968 57.400 56.400 0.053 0.000 0.845 206 E CB -0.113 29.614 29.700 0.044 0.000 0.766 206 E HN 0.607 nan 8.360 nan 0.000 0.507 207 K N 0.436 120.896 120.400 0.101 0.000 2.367 207 K HA 0.078 4.398 4.320 -0.000 0.000 0.194 207 K C 0.248 176.936 176.600 0.146 0.000 1.027 207 K CA 0.117 56.493 56.287 0.148 0.000 1.075 207 K CB 0.695 33.334 32.500 0.232 0.000 0.845 207 K HN -0.109 nan 8.250 nan 0.000 0.529 208 T N 2.173 116.789 114.554 0.103 0.000 2.752 208 T HA 0.086 4.436 4.350 -0.000 0.000 0.295 208 T C 0.018 174.754 174.700 0.060 0.000 0.923 208 T CA -0.249 61.897 62.100 0.078 0.000 1.112 208 T CB 0.778 69.667 68.868 0.034 0.000 0.884 208 T HN 0.143 nan 8.240 nan 0.000 0.525 209 S N 3.370 119.109 115.700 0.064 0.000 2.578 209 S HA 0.611 5.080 4.470 -0.000 0.000 0.301 209 S C -0.113 174.512 174.600 0.041 0.000 1.091 209 S CA -1.159 57.067 58.200 0.044 0.000 1.032 209 S CB 0.981 64.201 63.200 0.034 0.000 1.064 209 S HN 0.454 nan 8.310 nan 0.000 0.508 210 I N 3.166 123.756 120.570 0.033 0.000 2.389 210 I HA 0.231 4.401 4.170 -0.000 0.000 0.295 210 I C 0.461 176.601 176.117 0.038 0.000 1.117 210 I CA 0.192 61.515 61.300 0.038 0.000 1.317 210 I CB -0.822 37.198 38.000 0.033 0.000 1.431 210 I HN 0.654 nan 8.210 nan 0.000 0.521 211 Q N 8.463 128.293 119.800 0.050 0.000 2.286 211 Q HA 0.613 4.953 4.340 -0.000 0.000 0.250 211 Q C -2.379 173.665 176.000 0.074 0.000 1.021 211 Q CA -1.770 54.058 55.803 0.043 0.000 0.930 211 Q CB 1.475 30.228 28.738 0.025 0.000 1.266 211 Q HN 0.349 nan 8.270 nan 0.000 0.491 212 P HA 0.265 nan 4.420 nan 0.000 0.300 212 P C -1.157 176.225 177.300 0.138 0.000 1.326 212 P CA -0.430 62.724 63.100 0.091 0.000 0.844 212 P CB 0.495 32.218 31.700 0.040 0.000 0.992 213 F N 3.525 123.513 119.950 0.064 0.000 2.406 213 F HA 0.409 4.935 4.527 -0.000 0.000 0.358 213 F C 1.016 176.867 175.800 0.085 0.000 1.161 213 F CA -0.362 57.697 58.000 0.099 0.000 1.185 213 F CB -0.029 39.065 39.000 0.156 0.000 1.421 213 F HN 0.319 nan 8.300 nan 0.000 0.576 214 R N 5.536 125.879 120.500 -0.261 0.000 2.537 214 R HA 0.305 4.645 4.340 -0.000 0.000 0.281 214 R C -0.807 175.332 176.300 -0.269 0.000 0.988 214 R CA 0.278 56.256 56.100 -0.203 0.000 1.077 214 R CB -0.688 29.510 30.300 -0.171 0.000 0.932 214 R HN 0.834 nan 8.270 nan 0.000 0.409 218 N N -0.449 118.239 118.700 -0.019 0.000 2.166 218 N HA 0.084 4.824 4.740 -0.000 0.000 0.222 218 N C -0.082 175.426 175.510 -0.004 0.000 1.282 218 N CA 0.150 53.194 53.050 -0.010 0.000 0.890 218 N CB 0.773 39.256 38.487 -0.007 0.000 1.114 218 N HN 0.097 nan 8.380 nan 0.000 0.494 219 K N 0.533 120.931 120.400 -0.004 0.000 2.295 219 K HA 0.790 5.110 4.320 -0.000 0.000 0.239 219 K C -0.628 175.979 176.600 0.011 0.000 0.991 219 K CA -0.520 55.773 56.287 0.009 0.000 0.845 219 K CB 1.690 nan 32.500 nan 0.000 1.197 219 K HN 0.309 nan 8.250 nan 0.000 0.441 220 S N -1.253 114.466 115.700 0.033 0.000 2.675 220 S HA 0.611 5.081 4.470 -0.000 0.000 0.297 220 S C -1.446 173.200 174.600 0.076 0.000 1.035 220 S CA 0.325 58.556 58.200 0.051 0.000 0.852 220 S CB 0.392 63.605 63.200 0.022 0.000 1.051 220 S HN 1.658 nan 8.310 nan 0.000 0.451 221 K N 3.178 123.653 120.400 0.126 0.000 2.509 221 K HA 0.953 5.273 4.320 -0.000 0.000 0.266 221 K C -3.483 173.209 176.600 0.152 0.000 0.987 221 K CA -1.610 54.748 56.287 0.118 0.000 0.868 221 K CB 1.277 33.845 32.500 0.113 0.000 1.421 221 K HN 0.595 nan 8.250 nan 0.000 0.444 222 P HA 0.647 nan 4.420 nan 0.000 0.279 222 P C -0.693 176.681 177.300 0.123 0.000 1.252 222 P CA -0.460 62.708 63.100 0.113 0.000 0.811 222 P CB 1.220 32.964 31.700 0.072 0.000 1.035 223 V N -2.649 117.336 119.914 0.119 0.000 3.000 223 V HA 0.411 4.531 4.120 -0.000 0.000 0.300 223 V C -0.510 175.626 176.094 0.070 0.000 1.251 223 V CA -1.219 61.140 62.300 0.098 0.000 0.972 223 V CB 1.732 33.631 31.823 0.126 0.000 1.065 223 V HN 0.289 nan 8.190 nan 0.000 0.431 224 K N 3.168 123.592 120.400 0.040 0.000 2.382 224 K HA 0.332 4.652 4.320 -0.000 0.000 0.286 224 K C -0.429 176.182 176.600 0.020 0.000 1.062 224 K CA -0.123 56.179 56.287 0.024 0.000 1.000 224 K CB 0.580 33.082 32.500 0.002 0.000 0.954 224 K HN 0.749 nan 8.250 nan 0.000 0.470 225 M N 5.632 125.260 119.600 0.045 0.000 2.111 225 M HA 0.192 4.672 4.480 -0.000 0.000 0.351 225 M C -0.484 175.856 176.300 0.067 0.000 1.214 225 M CA 0.006 55.344 55.300 0.064 0.000 1.120 225 M CB 0.425 33.092 32.600 0.111 0.000 1.443 225 M HN 0.508 nan 8.290 nan 0.000 0.429 226 M N 3.281 122.850 119.600 -0.052 0.000 2.184 226 M HA 0.188 4.668 4.480 -0.000 0.000 0.296 226 M C -0.843 175.548 176.300 0.151 0.000 1.165 226 M CA 0.572 55.810 55.300 -0.103 0.000 1.175 226 M CB 0.467 32.667 32.600 -0.667 0.000 1.392 226 M HN 0.679 nan 8.290 nan 0.000 0.457 227 Y N 1.271 121.674 120.300 0.172 0.000 2.604 227 Y HA 0.606 5.156 4.550 -0.000 0.000 0.331 227 Y C -1.452 174.545 175.900 0.162 0.000 1.158 227 Y CA -1.372 56.809 58.100 0.136 0.000 1.056 227 Y CB 1.390 39.837 38.460 -0.021 0.000 1.330 227 Y HN 0.748 nan 8.280 nan 0.000 0.457 228 M N 2.095 120.934 119.600 -1.267 0.000 2.755 228 M HA 0.861 5.341 4.480 -0.000 0.000 0.276 228 M C -2.006 173.713 176.300 -0.970 0.000 1.129 228 M CA -0.843 53.801 55.300 -1.094 0.000 0.832 228 M CB 1.431 33.595 32.600 -0.726 0.000 1.700 228 M HN 0.974 nan 8.290 nan 0.000 0.518 229 R N 1.427 121.553 120.500 -0.623 0.000 2.393 229 R HA 0.882 5.222 4.340 -0.000 0.000 0.315 229 R C -1.452 174.658 176.300 -0.317 0.000 0.952 229 R CA -0.141 55.752 56.100 -0.346 0.000 0.842 229 R CB 0.803 30.982 30.300 -0.201 0.000 1.163 229 R HN 0.906 nan 8.270 nan 0.000 0.450 230 D N -0.270 119.945 120.400 -0.308 0.000 2.970 230 D HA 0.394 5.034 4.640 -0.000 0.000 0.344 230 D C -1.091 174.878 176.300 -0.551 0.000 1.365 230 D CA 0.005 53.721 54.000 -0.474 0.000 0.910 230 D CB 2.156 42.551 40.800 -0.674 0.000 1.445 230 D HN 0.394 nan 8.370 nan 0.000 0.532 231 T N 0.869 114.958 114.554 -0.774 0.000 2.797 231 T HA 0.682 5.032 4.350 -0.000 0.000 0.279 231 T C -0.711 173.439 174.700 -0.917 0.000 0.991 231 T CA -0.270 61.463 62.100 -0.610 0.000 0.979 231 T CB 0.419 69.056 68.868 -0.384 0.000 0.943 231 T HN 0.163 nan 8.240 nan 0.000 0.444 232 F N 2.343 122.149 119.950 -0.241 0.000 2.613 232 F HA 0.478 5.004 4.527 -0.000 0.000 0.310 232 F C -2.533 173.126 175.800 -0.235 0.000 1.085 232 F CA -2.786 55.049 58.000 -0.275 0.000 0.945 232 F CB 1.961 40.736 39.000 -0.374 0.000 1.298 232 F HN 0.298 nan 8.300 nan 0.000 0.455 233 P HA 0.266 nan 4.420 nan 0.000 0.276 233 P C -1.048 176.200 177.300 -0.087 0.000 1.235 233 P CA -0.106 62.967 63.100 -0.044 0.000 0.772 233 P CB 1.052 32.733 31.700 -0.032 0.000 0.871 234 V N 4.023 123.896 119.914 -0.068 0.000 3.001 234 V HA 0.556 4.676 4.120 -0.000 0.000 0.314 234 V C -0.616 175.459 176.094 -0.032 0.000 1.099 234 V CA -0.766 61.480 62.300 -0.090 0.000 0.989 234 V CB 2.334 34.108 31.823 -0.081 0.000 1.040 234 V HN 0.313 nan 8.190 nan 0.000 0.434 235 L N 3.810 125.018 121.223 -0.024 0.000 2.441 235 L HA 0.665 5.005 4.340 -0.000 0.000 0.270 235 L C -0.955 175.824 176.870 -0.152 0.000 0.973 235 L CA 0.076 54.873 54.840 -0.071 0.000 0.842 235 L CB 1.164 43.187 42.059 -0.060 0.000 1.239 235 L HN 0.558 nan 8.230 nan 0.000 0.406 236 I N 6.038 126.515 120.570 -0.155 0.000 2.707 236 I HA 0.691 4.861 4.170 -0.000 0.000 0.309 236 I C -0.277 175.672 176.117 -0.281 0.000 1.001 236 I CA -0.760 60.425 61.300 -0.191 0.000 1.129 236 I CB 1.883 39.833 38.000 -0.084 0.000 1.308 236 I HN 0.764 nan 8.210 nan 0.000 0.466 237 M N 1.344 120.752 119.600 -0.321 0.000 2.429 237 M HA 0.274 4.754 4.480 -0.000 0.000 0.221 237 M C -0.479 175.686 176.300 -0.224 0.000 0.942 237 M CA -0.620 54.505 55.300 -0.291 0.000 0.805 237 M CB 0.855 33.202 32.600 -0.421 0.000 2.336 237 M HN 0.548 nan 8.290 nan 0.000 0.447 238 E N 1.932 122.063 120.200 -0.115 0.000 2.358 238 E HA 0.115 4.465 4.350 -0.000 0.000 0.195 238 E C 1.771 178.354 176.600 -0.029 0.000 1.010 238 E CA 1.917 58.282 56.400 -0.058 0.000 0.856 238 E CB -0.376 29.304 29.700 -0.034 0.000 0.795 238 E HN 0.899 nan 8.360 nan 0.000 0.504 239 K N 0.452 120.829 120.400 -0.039 0.000 1.980 239 K HA -0.023 4.297 4.320 -0.000 0.000 0.223 239 K C 2.119 178.750 176.600 0.051 0.000 1.052 239 K CA 2.016 58.307 56.287 0.007 0.000 0.974 239 K CB -0.740 31.764 32.500 0.006 0.000 0.734 239 K HN 0.476 nan 8.250 nan 0.000 0.447 240 M N 0.316 119.960 119.600 0.073 0.000 2.530 240 M HA 0.156 4.636 4.480 -0.000 0.000 0.231 240 M C 0.825 177.268 176.300 0.239 0.000 1.180 240 M CA 0.663 56.086 55.300 0.204 0.000 0.985 240 M CB -0.734 32.091 32.600 0.374 0.000 1.623 240 M HN 0.655 nan 8.290 nan 0.000 0.475 241 N N 1.838 120.599 118.700 0.102 0.000 2.650 241 N HA -0.202 4.538 4.740 -0.000 0.000 0.272 241 N C -0.711 174.920 175.510 0.201 0.000 1.058 241 N CA 1.282 54.386 53.050 0.090 0.000 0.765 241 N CB -2.324 36.214 38.487 0.086 0.000 0.902 241 N HN 0.654 nan 8.380 nan 0.000 0.551 242 F N -3.823 116.109 119.950 -0.030 0.000 2.704 242 F HA 0.761 5.288 4.527 -0.000 0.000 0.312 242 F C -0.580 175.198 175.800 -0.037 0.000 1.108 242 F CA -0.652 57.338 58.000 -0.017 0.000 1.005 242 F CB 0.287 39.286 39.000 -0.002 0.000 1.277 242 F HN 0.562 nan 8.300 nan 0.000 0.445 243 K N 3.899 124.324 120.400 0.041 0.000 2.156 243 K HA 0.881 5.201 4.320 -0.000 0.000 0.254 243 K C -1.524 175.298 176.600 0.371 0.000 0.950 243 K CA -0.700 55.608 56.287 0.037 0.000 0.849 243 K CB 2.133 34.723 32.500 0.151 0.000 1.100 243 K HN 0.966 nan 8.250 nan 0.000 0.434 244 M N 2.146 121.900 119.600 0.258 0.000 2.465 244 M HA 0.656 5.136 4.480 -0.000 0.000 0.316 244 M C -1.378 174.949 176.300 0.045 0.000 1.121 244 M CA -1.099 54.390 55.300 0.315 0.000 0.934 244 M CB 1.563 34.371 32.600 0.347 0.000 1.692 244 M HN 0.801 nan 8.290 nan 0.000 0.444 245 I N 2.196 122.677 120.570 -0.148 0.000 2.730 245 I HA 0.398 4.568 4.170 -0.000 0.000 0.298 245 I C -1.210 174.608 176.117 -0.499 0.000 1.089 245 I CA -0.252 60.739 61.300 -0.516 0.000 1.041 245 I CB 2.201 39.501 38.000 -1.167 0.000 1.235 245 I HN 0.750 nan 8.210 nan 0.000 0.423 246 E N 7.668 127.512 120.200 -0.594 0.000 2.114 246 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 246 E C -1.843 174.359 176.600 -0.663 0.000 0.896 246 E CA -0.627 55.230 56.400 -0.906 0.000 0.750 246 E CB 1.112 30.264 29.700 -0.914 0.000 1.121 246 E HN 0.623 nan 8.360 nan 0.000 0.413 247 L N 6.808 127.626 121.223 -0.675 0.000 2.283 247 L HA 0.435 4.775 4.340 -0.000 0.000 0.281 247 L C -2.285 174.385 176.870 -0.333 0.000 1.033 247 L CA -2.165 52.276 54.840 -0.666 0.000 0.848 247 L CB 1.065 42.567 42.059 -0.928 0.000 1.226 247 L HN 0.432 nan 8.230 nan 0.000 0.429 248 P HA 0.147 nan 4.420 nan 0.000 0.275 248 P C -0.912 176.421 177.300 0.055 0.000 1.227 248 P CA -0.049 63.047 63.100 -0.007 0.000 0.781 248 P CB 0.485 32.195 31.700 0.017 0.000 0.906 249 Y N 0.753 121.193 120.300 0.233 0.000 2.282 249 Y HA 0.162 4.712 4.550 -0.000 0.000 0.335 249 Y C 0.939 176.931 175.900 0.154 0.000 1.335 249 Y CA -0.588 57.649 58.100 0.229 0.000 1.529 249 Y CB 0.153 38.697 38.460 0.141 0.000 1.429 249 Y HN 0.097 nan 8.280 nan 0.000 0.563 250 V N 0.380 120.473 119.914 0.299 0.000 2.992 250 V HA -0.194 3.926 4.120 -0.000 0.000 0.294 250 V C 0.816 177.003 176.094 0.155 0.000 1.254 250 V CA -0.225 62.183 62.300 0.180 0.000 1.359 250 V CB -0.383 31.527 31.823 0.146 0.000 0.914 250 V HN 0.785 nan 8.190 nan 0.000 0.519 251 K N 1.928 122.387 120.400 0.099 0.000 2.850 251 K HA -0.293 4.027 4.320 -0.000 0.000 0.254 251 K C 1.278 177.932 176.600 0.089 0.000 0.991 251 K CA 1.498 57.833 56.287 0.079 0.000 0.751 251 K CB -2.037 30.509 32.500 0.076 0.000 1.215 251 K HN 0.968 nan 8.250 nan 0.000 0.473 252 R N -1.263 119.303 120.500 0.111 0.000 3.741 252 R HA -0.354 3.986 4.340 -0.000 0.000 0.292 252 R C 1.116 177.482 176.300 0.109 0.000 1.176 252 R CA 1.694 57.861 56.100 0.113 0.000 0.794 252 R CB -1.365 28.978 30.300 0.071 0.000 1.213 252 R HN 0.829 nan 8.270 nan 0.000 0.494 253 E N -0.948 119.322 120.200 0.117 0.000 2.028 253 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 253 E C 1.260 177.821 176.600 -0.066 0.000 0.988 253 E CA 1.732 58.152 56.400 0.032 0.000 0.799 253 E CB -0.070 29.727 29.700 0.160 0.000 0.755 253 E HN 0.376 nan 8.360 nan 0.000 0.447 254 L N 0.738 121.991 121.223 0.050 0.000 2.346 254 L HA 0.637 4.977 4.340 -0.000 0.000 0.274 254 L C -0.012 177.095 176.870 0.396 0.000 1.007 254 L CA -0.837 54.046 54.840 0.072 0.000 0.818 254 L CB 1.797 43.750 42.059 -0.177 0.000 1.284 254 L HN -0.052 nan 8.230 nan 0.000 0.424 255 S N 2.024 118.004 115.700 0.465 0.000 2.595 255 S HA 0.852 5.322 4.470 -0.000 0.000 0.281 255 S C -0.530 174.398 174.600 0.547 0.000 1.117 255 S CA -0.479 58.003 58.200 0.470 0.000 0.873 255 S CB 1.792 65.137 63.200 0.242 0.000 1.108 255 S HN 1.026 nan 8.310 nan 0.000 0.477 256 M N 2.604 122.404 119.600 0.334 0.000 2.268 256 M HA 0.597 5.077 4.480 -0.000 0.000 0.344 256 M C -2.095 174.210 176.300 0.009 0.000 1.106 256 M CA -0.481 55.030 55.300 0.352 0.000 1.010 256 M CB 0.453 33.316 32.600 0.439 0.000 1.649 256 M HN 0.580 nan 8.290 nan 0.000 0.443 257 F N 5.331 125.090 119.950 -0.319 0.000 2.458 257 F HA 0.533 5.060 4.527 -0.000 0.000 0.336 257 F C -0.293 175.367 175.800 -0.233 0.000 1.114 257 F CA -0.716 57.031 58.000 -0.422 0.000 0.987 257 F CB 1.395 39.913 39.000 -0.804 0.000 1.130 257 F HN 0.394 nan 8.300 nan 0.000 0.458 258 I N 5.236 125.859 120.570 0.089 0.000 2.405 258 I HA 0.232 4.402 4.170 -0.000 0.000 0.280 258 I C -1.127 175.200 176.117 0.350 0.000 1.027 258 I CA -0.772 60.684 61.300 0.260 0.000 1.161 258 I CB 1.037 39.135 38.000 0.163 0.000 1.300 258 I HN 0.256 nan 8.210 nan 0.000 0.463 259 L N 7.224 128.678 121.223 0.384 0.000 2.325 259 L HA 0.335 4.675 4.340 -0.000 0.000 0.284 259 L C -0.229 176.884 176.870 0.405 0.000 1.089 259 L CA 0.330 55.404 54.840 0.390 0.000 0.836 259 L CB 0.629 42.803 42.059 0.192 0.000 1.184 259 L HN 0.494 nan 8.230 nan 0.000 0.444 260 L N 6.961 128.419 121.223 0.391 0.000 2.325 260 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 260 L C -2.264 174.761 176.870 0.258 0.000 1.004 260 L CA -1.721 53.258 54.840 0.232 0.000 0.823 260 L CB 2.131 44.153 42.059 -0.061 0.000 1.236 260 L HN 0.380 nan 8.230 nan 0.000 0.415 261 P HA 0.030 nan 4.420 nan 0.000 0.271 261 P C -0.238 177.224 177.300 0.270 0.000 1.220 261 P CA -0.053 63.224 63.100 0.295 0.000 0.768 261 P CB 1.017 32.874 31.700 0.261 0.000 0.848 262 D N 1.338 121.835 120.400 0.161 0.000 2.218 262 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 262 D C 0.566 176.880 176.300 0.024 0.000 1.007 262 D CA 1.799 55.839 54.000 0.066 0.000 0.879 262 D CB 0.286 41.102 40.800 0.027 0.000 0.918 262 D HN 0.530 nan 8.370 nan 0.000 0.449 270 G N 1.571 110.404 108.800 0.056 0.000 2.176 270 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 270 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 270 G C 0.667 175.633 174.900 0.111 0.000 0.979 270 G CA 0.502 45.637 45.100 0.059 0.000 0.641 270 G HN 0.626 nan 8.290 nan 0.000 0.530 271 L N -0.070 121.237 121.223 0.139 0.000 2.249 271 L HA 0.289 4.629 4.340 -0.000 0.000 0.207 271 L C 3.151 180.130 176.870 0.182 0.000 1.090 271 L CA 1.594 56.551 54.840 0.195 0.000 0.802 271 L CB -0.624 41.569 42.059 0.223 0.000 0.947 271 L HN 0.434 nan 8.230 nan 0.000 0.453 272 E N 0.423 120.705 120.200 0.136 0.000 2.136 272 E HA -0.401 3.949 4.350 -0.000 0.000 0.208 272 E C 2.114 178.782 176.600 0.113 0.000 1.035 272 E CA 2.658 59.127 56.400 0.116 0.000 0.838 272 E CB -1.211 28.534 29.700 0.076 0.000 0.748 272 E HN 0.637 nan 8.360 nan 0.000 0.459 273 Q N -0.928 118.933 119.800 0.102 0.000 2.083 273 Q HA 0.324 4.664 4.340 -0.000 0.000 0.198 273 Q C 2.824 178.887 176.000 0.105 0.000 0.969 273 Q CA 2.921 58.781 55.803 0.095 0.000 0.838 273 Q CB -1.295 27.494 28.738 0.086 0.000 0.900 273 Q HN 1.436 nan 8.270 nan 0.000 0.436 274 L N 0.506 121.796 121.223 0.111 0.000 2.201 274 L HA -0.019 4.320 4.340 -0.000 0.000 0.212 274 L C 2.235 179.145 176.870 0.065 0.000 1.105 274 L CA 2.435 57.317 54.840 0.071 0.000 0.775 274 L CB -1.117 40.964 42.059 0.036 0.000 0.913 274 L HN 0.729 nan 8.230 nan 0.000 0.440 275 E N -0.092 120.198 120.200 0.149 0.000 2.285 275 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 275 E C 2.647 179.344 176.600 0.162 0.000 0.997 275 E CA 0.890 57.414 56.400 0.207 0.000 0.845 275 E CB -0.149 29.790 29.700 0.399 0.000 0.782 275 E HN 0.785 nan 8.360 nan 0.000 0.491 276 R N 1.850 122.423 120.500 0.123 0.000 2.061 276 R HA -0.117 4.223 4.340 -0.000 0.000 0.230 276 R C 1.885 178.237 176.300 0.085 0.000 1.140 276 R CA 1.401 57.558 56.100 0.094 0.000 0.940 276 R CB -1.216 nan 30.300 nan 0.000 0.839 276 R HN 0.068 nan 8.270 nan 0.000 0.429 277 E N 0.424 120.681 120.200 0.094 0.000 2.333 277 E HA -0.064 4.286 4.350 -0.000 0.000 0.198 277 E C 0.400 177.046 176.600 0.076 0.000 1.007 277 E CA 0.044 56.507 56.400 0.104 0.000 0.845 277 E CB -0.719 29.077 29.700 0.160 0.000 0.766 277 E HN 0.412 nan 8.360 nan 0.000 0.507 278 L N 1.728 122.986 121.223 0.059 0.000 2.559 278 L HA -0.041 4.298 4.340 -0.000 0.000 0.274 278 L C -0.053 176.805 176.870 -0.021 0.000 1.205 278 L CA 1.029 55.875 54.840 0.010 0.000 0.907 278 L CB 0.413 42.499 42.059 0.045 0.000 1.153 278 L HN -0.162 nan 8.230 nan 0.000 0.490 279 T N 3.500 117.990 114.554 -0.108 0.000 2.816 279 T HA 0.144 4.494 4.350 -0.000 0.000 0.299 279 T C -0.185 174.432 174.700 -0.138 0.000 1.230 279 T CA -0.229 61.811 62.100 -0.101 0.000 1.007 279 T CB 0.963 69.758 68.868 -0.121 0.000 1.289 279 T HN 0.445 nan 8.240 nan 0.000 0.508 280 Y N 1.146 121.323 120.300 -0.205 0.000 2.475 280 Y HA 0.164 4.714 4.550 -0.000 0.000 0.289 280 Y C 2.249 178.006 175.900 -0.238 0.000 1.121 280 Y CA 1.931 59.893 58.100 -0.229 0.000 1.257 280 Y CB -0.433 37.901 38.460 -0.210 0.000 1.026 280 Y HN 0.868 nan 8.280 nan 0.000 0.555 281 E N 0.968 121.036 120.200 -0.220 0.000 2.006 281 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 281 E C 2.143 178.457 176.600 -0.475 0.000 0.993 281 E CA 1.816 58.052 56.400 -0.273 0.000 0.808 281 E CB -0.753 28.856 29.700 -0.151 0.000 0.764 281 E HN 0.605 nan 8.360 nan 0.000 0.449 282 R N -0.634 119.520 120.500 -0.577 0.000 2.103 282 R HA -0.083 4.257 4.340 -0.000 0.000 0.242 282 R C 2.487 177.828 176.300 -1.598 0.000 1.142 282 R CA 1.420 56.844 56.100 -1.127 0.000 0.960 282 R CB -0.464 29.182 30.300 -1.090 0.000 0.858 282 R HN 0.314 nan 8.270 nan 0.000 0.439 283 L N 0.218 120.864 121.223 -0.963 0.000 2.017 283 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 283 L C 2.268 178.875 176.870 -0.439 0.000 1.073 283 L CA 1.729 56.245 54.840 -0.540 0.000 0.745 283 L CB -0.783 41.042 42.059 -0.391 0.000 0.894 283 L HN 0.050 nan 8.230 nan 0.000 0.432 284 S N -0.736 114.579 115.700 -0.642 0.000 2.368 284 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 284 S C 2.175 176.634 174.600 -0.234 0.000 1.029 284 S CA 1.224 59.138 58.200 -0.477 0.000 0.988 284 S CB -0.330 62.504 63.200 -0.611 0.000 0.838 284 S HN 0.632 nan 8.310 nan 0.000 0.462 285 E N 0.695 120.727 120.200 -0.280 0.000 2.153 285 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 285 E C 1.593 178.283 176.600 0.149 0.000 0.988 285 E CA 1.489 57.835 56.400 -0.090 0.000 0.811 285 E CB -0.854 28.776 29.700 -0.117 0.000 0.746 285 E HN 0.678 nan 8.360 nan 0.000 0.466 286 W N 0.270 121.596 121.300 0.044 0.000 2.474 286 W HA 0.331 4.991 4.660 -0.000 0.000 0.319 286 W C 2.962 179.559 176.519 0.129 0.000 1.165 286 W CA 0.696 58.109 57.345 0.112 0.000 1.356 286 W CB -1.310 28.269 29.460 0.197 0.000 1.172 286 W HN 0.418 nan 8.180 nan 0.000 0.478 287 A N 0.626 123.683 122.820 0.395 0.000 1.958 287 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 287 A C 1.615 179.351 177.584 0.252 0.000 1.178 287 A CA 2.366 54.593 52.037 0.317 0.000 0.642 287 A CB -0.896 18.114 19.000 0.018 0.000 0.816 287 A HN 0.293 nan 8.150 nan 0.000 0.453 288 D N -0.342 120.152 120.400 0.157 0.000 2.355 288 D HA 0.049 4.689 4.640 -0.000 0.000 0.218 288 D C 0.775 177.155 176.300 0.133 0.000 1.004 288 D CA 0.529 54.603 54.000 0.123 0.000 0.880 288 D CB -0.144 40.692 40.800 0.061 0.000 0.911 288 D HN 0.337 nan 8.370 nan 0.000 0.528 289 S N 0.615 116.420 115.700 0.176 0.000 2.546 289 S HA 0.143 4.613 4.470 -0.000 0.000 0.290 289 S C 1.214 175.888 174.600 0.122 0.000 1.290 289 S CA -0.029 58.268 58.200 0.162 0.000 1.069 289 S CB 0.938 64.270 63.200 0.219 0.000 0.846 289 S HN 0.275 nan 8.310 nan 0.000 0.495 290 K N 3.941 124.396 120.400 0.093 0.000 2.611 290 K HA 0.174 4.494 4.320 -0.000 0.000 0.193 290 K C 1.157 177.792 176.600 0.057 0.000 1.026 290 K CA 0.976 57.304 56.287 0.069 0.000 1.063 290 K CB -0.525 32.009 32.500 0.056 0.000 0.839 290 K HN 0.758 nan 8.250 nan 0.000 0.505 291 M N -0.847 118.793 119.600 0.066 0.000 2.337 291 M HA 0.417 4.897 4.480 -0.000 0.000 0.256 291 M C 0.715 177.032 176.300 0.028 0.000 1.075 291 M CA 0.175 55.499 55.300 0.040 0.000 1.024 291 M CB 0.463 33.085 32.600 0.036 0.000 1.429 291 M HN 0.385 nan 8.290 nan 0.000 0.497 292 M N 0.939 120.572 119.600 0.056 0.000 2.111 292 M HA 0.281 4.761 4.480 -0.000 0.000 0.351 292 M C -0.736 175.587 176.300 0.037 0.000 1.214 292 M CA 0.100 55.431 55.300 0.051 0.000 1.120 292 M CB 0.425 33.093 32.600 0.114 0.000 1.443 292 M HN 0.029 nan 8.290 nan 0.000 0.429 293 T N 2.759 117.319 114.554 0.009 0.000 2.916 293 T HA 0.340 4.690 4.350 -0.000 0.000 0.292 293 T C -0.647 174.039 174.700 -0.023 0.000 1.055 293 T CA -0.689 61.410 62.100 -0.002 0.000 1.009 293 T CB 1.206 70.072 68.868 -0.002 0.000 1.118 293 T HN 0.626 nan 8.240 nan 0.000 0.497 294 E N 2.337 122.516 120.200 -0.035 0.000 2.653 294 E HA 0.136 4.486 4.350 -0.000 0.000 0.264 294 E C -0.418 176.143 176.600 -0.064 0.000 0.949 294 E CA 0.913 57.274 56.400 -0.064 0.000 0.953 294 E CB 0.359 30.011 29.700 -0.080 0.000 0.925 294 E HN 0.632 nan 8.360 nan 0.000 0.475 295 T N 2.176 116.683 114.554 -0.080 0.000 2.982 295 T HA 0.236 4.586 4.350 -0.000 0.000 0.321 295 T C -0.459 174.185 174.700 -0.094 0.000 1.229 295 T CA -0.816 61.243 62.100 -0.067 0.000 1.044 295 T CB 1.362 70.208 68.868 -0.037 0.000 1.184 295 T HN 0.293 nan 8.240 nan 0.000 0.477 296 L N 3.651 124.817 121.223 -0.095 0.000 2.455 296 L HA 0.614 4.953 4.340 -0.000 0.000 0.272 296 L C -0.913 175.909 176.870 -0.080 0.000 1.174 296 L CA 0.478 55.248 54.840 -0.117 0.000 0.869 296 L CB 0.229 42.225 42.059 -0.105 0.000 1.130 296 L HN 0.531 nan 8.230 nan 0.000 0.474 297 V N 3.749 123.623 119.914 -0.067 0.000 2.888 297 V HA 0.296 4.416 4.120 -0.000 0.000 0.309 297 V C -1.081 175.011 176.094 -0.003 0.000 1.114 297 V CA -0.846 61.454 62.300 0.000 0.000 0.940 297 V CB 2.072 33.929 31.823 0.056 0.000 1.021 297 V HN 0.604 nan 8.190 nan 0.000 0.426 298 D N 3.057 123.486 120.400 0.048 0.000 2.441 298 D HA 0.449 5.089 4.640 -0.000 0.000 0.221 298 D C -0.545 175.813 176.300 0.097 0.000 1.156 298 D CA -0.059 54.003 54.000 0.103 0.000 0.896 298 D CB 1.015 41.931 40.800 0.193 0.000 1.028 298 D HN 0.324 nan 8.370 nan 0.000 0.509 299 L N 3.738 124.930 121.223 -0.052 0.000 2.265 299 L HA 0.319 4.659 4.340 -0.000 0.000 0.288 299 L C -0.841 176.023 176.870 -0.009 0.000 1.058 299 L CA -0.346 54.482 54.840 -0.020 0.000 0.809 299 L CB 0.536 42.528 42.059 -0.111 0.000 1.179 299 L HN 0.409 nan 8.230 nan 0.000 0.429 300 H N 5.167 124.371 119.070 0.223 0.000 2.685 300 H HA 0.530 5.086 4.556 -0.000 0.000 0.307 300 H C -1.065 174.287 175.328 0.041 0.000 1.017 300 H CA -0.437 55.718 56.048 0.179 0.000 1.237 300 H CB 1.345 31.179 29.762 0.119 0.000 1.409 300 H HN 0.461 nan 8.280 nan 0.000 0.488 301 L N 6.399 127.651 121.223 0.049 0.000 2.316 301 L HA 0.426 4.766 4.340 -0.000 0.000 0.280 301 L C -2.513 174.288 176.870 -0.115 0.000 1.006 301 L CA -2.330 52.447 54.840 -0.104 0.000 0.836 301 L CB 1.210 43.134 42.059 -0.224 0.000 1.221 301 L HN 0.365 nan 8.230 nan 0.000 0.418 302 P HA -0.083 nan 4.420 nan 0.000 0.258 302 P C -0.835 176.442 177.300 -0.039 0.000 1.187 302 P CA -0.027 63.062 63.100 -0.019 0.000 0.767 302 P CB 0.285 31.966 31.700 -0.031 0.000 0.770 303 K N 5.386 125.729 120.400 -0.094 0.000 2.250 303 K HA 0.058 4.378 4.320 -0.000 0.000 0.277 303 K C -0.098 176.448 176.600 -0.089 0.000 1.091 303 K CA -0.213 55.986 56.287 -0.146 0.000 1.046 303 K CB -0.725 31.700 32.500 -0.125 0.000 0.982 303 K HN 0.377 nan 8.250 nan 0.000 0.429 304 F N 0.399 120.153 119.950 -0.327 0.000 2.631 304 F HA 0.728 5.255 4.527 -0.000 0.000 0.350 304 F C -0.653 174.973 175.800 -0.290 0.000 1.080 304 F CA -1.189 56.576 58.000 -0.391 0.000 1.026 304 F CB 1.642 40.145 39.000 -0.827 0.000 1.347 304 F HN 0.166 nan 8.300 nan 0.000 0.501 305 S N 0.969 116.760 115.700 0.152 0.000 2.584 305 S HA 0.650 5.120 4.470 -0.000 0.000 0.280 305 S C -1.693 173.002 174.600 0.157 0.000 1.162 305 S CA -0.639 57.574 58.200 0.022 0.000 0.951 305 S CB 0.619 63.795 63.200 -0.040 0.000 1.108 305 S HN 0.753 nan 8.310 nan 0.000 0.464 306 L N 2.791 124.068 121.223 0.091 0.000 2.401 306 L HA 0.926 5.266 4.340 -0.000 0.000 0.266 306 L C 0.002 176.984 176.870 0.187 0.000 0.991 306 L CA -0.570 54.333 54.840 0.105 0.000 0.818 306 L CB 2.030 44.067 42.059 -0.035 0.000 1.321 306 L HN 0.743 nan 8.230 nan 0.000 0.413 307 E N 1.612 122.008 120.200 0.327 0.000 2.308 307 E HA 0.609 4.958 4.350 -0.000 0.000 0.275 307 E C -1.862 175.014 176.600 0.460 0.000 0.890 307 E CA -0.842 55.846 56.400 0.479 0.000 0.754 307 E CB 2.342 32.255 29.700 0.356 0.000 1.207 307 E HN 0.693 nan 8.360 nan 0.000 0.426 308 D N 0.465 121.174 120.400 0.515 0.000 2.753 308 D HA 0.571 5.211 4.640 -0.000 0.000 0.224 308 D C -0.508 175.993 176.300 0.335 0.000 1.213 308 D CA -0.691 53.550 54.000 0.401 0.000 0.833 308 D CB 2.145 43.217 40.800 0.453 0.000 1.607 308 D HN 0.465 nan 8.370 nan 0.000 0.463 309 R N 1.640 122.292 120.500 0.254 0.000 2.621 309 R HA 0.725 5.065 4.340 -0.000 0.000 0.292 309 R C -1.215 175.193 176.300 0.178 0.000 0.969 309 R CA -0.693 55.536 56.100 0.215 0.000 0.887 309 R CB 1.338 31.737 30.300 0.165 0.000 1.180 309 R HN 0.535 nan 8.270 nan 0.000 0.450 310 I N 3.066 123.741 120.570 0.175 0.000 2.512 310 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 310 I C -1.082 175.079 176.117 0.074 0.000 1.069 310 I CA -0.861 60.497 61.300 0.097 0.000 1.056 310 I CB 2.153 40.176 38.000 0.038 0.000 1.229 310 I HN 0.598 nan 8.210 nan 0.000 0.429 311 D N 7.430 127.854 120.400 0.040 0.000 2.441 311 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 311 D C 0.904 177.202 176.300 -0.004 0.000 1.156 311 D CA -0.179 53.837 54.000 0.028 0.000 0.896 311 D CB 1.092 41.900 40.800 0.014 0.000 1.028 311 D HN 0.529 nan 8.370 nan 0.000 0.509 312 L N 3.280 124.508 121.223 0.008 0.000 2.456 312 L HA -0.078 4.262 4.340 -0.000 0.000 0.224 312 L C 2.516 179.362 176.870 -0.040 0.000 1.148 312 L CA 0.211 55.041 54.840 -0.018 0.000 0.825 312 L CB -0.282 41.784 42.059 0.012 0.000 0.937 312 L HN 0.371 nan 8.230 nan 0.000 0.450 313 R N 0.930 121.396 120.500 -0.056 0.000 2.143 313 R HA -0.239 4.101 4.340 -0.000 0.000 0.239 313 R C 1.841 177.918 176.300 -0.372 0.000 1.126 313 R CA 2.504 58.458 56.100 -0.243 0.000 0.927 313 R CB -0.241 29.931 30.300 -0.214 0.000 0.860 313 R HN 0.364 nan 8.270 nan 0.000 0.433 314 D N -0.664 119.590 120.400 -0.244 0.000 2.123 314 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 314 D C 1.851 178.043 176.300 -0.180 0.000 0.992 314 D CA 1.935 55.805 54.000 -0.216 0.000 0.833 314 D CB -0.392 40.322 40.800 -0.144 0.000 0.954 314 D HN 0.411 nan 8.370 nan 0.000 0.455 315 T N 1.760 116.227 114.554 -0.144 0.000 2.652 315 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 315 T C 2.349 176.991 174.700 -0.097 0.000 1.039 315 T CA 0.750 62.777 62.100 -0.122 0.000 1.153 315 T CB -0.436 68.355 68.868 -0.129 0.000 0.863 315 T HN 0.102 nan 8.240 nan 0.000 0.428 316 L N 0.147 121.331 121.223 -0.064 0.000 2.093 316 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 316 L C 2.933 179.803 176.870 0.001 0.000 1.085 316 L CA 1.177 56.031 54.840 0.023 0.000 0.755 316 L CB -0.454 41.708 42.059 0.171 0.000 0.904 316 L HN 0.127 nan 8.230 nan 0.000 0.435 317 R N 0.010 120.418 120.500 -0.154 0.000 2.083 317 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 317 R C 2.093 178.346 176.300 -0.078 0.000 1.137 317 R CA 1.636 57.639 56.100 -0.162 0.000 0.951 317 R CB -0.344 29.759 30.300 -0.329 0.000 0.851 317 R HN 0.421 nan 8.270 nan 0.000 0.434 318 N N 0.195 118.837 118.700 -0.097 0.000 2.309 318 N HA -0.113 4.627 4.740 -0.000 0.000 0.182 318 N C 1.565 177.041 175.510 -0.056 0.000 1.018 318 N CA 1.148 54.153 53.050 -0.076 0.000 0.876 318 N CB 0.004 38.438 38.487 -0.089 0.000 0.972 318 N HN 0.281 nan 8.380 nan 0.000 0.434 319 M N -1.026 118.547 119.600 -0.046 0.000 2.558 319 M HA 0.080 4.560 4.480 -0.000 0.000 0.255 319 M C 0.839 177.120 176.300 -0.032 0.000 1.113 319 M CA 0.540 55.819 55.300 -0.035 0.000 1.097 319 M CB 0.499 33.093 32.600 -0.011 0.000 1.426 319 M HN 0.274 nan 8.290 nan 0.000 0.488 320 G N 0.560 109.348 108.800 -0.020 0.000 2.273 320 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.162 320 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.162 320 G C -0.010 174.896 174.900 0.011 0.000 1.006 320 G CA -0.561 44.527 45.100 -0.020 0.000 0.704 320 G HN 0.367 nan 8.290 nan 0.000 0.487 321 M N 2.973 122.610 119.600 0.061 0.000 2.047 321 M HA 0.507 4.987 4.480 -0.000 0.000 0.342 321 M C 1.341 177.824 176.300 0.305 0.000 1.058 321 M CA 0.533 55.929 55.300 0.160 0.000 0.991 321 M CB 0.903 33.622 32.600 0.198 0.000 1.474 321 M HN 0.307 nan 8.290 nan 0.000 0.419 322 T N -1.862 112.842 114.554 0.249 0.000 3.176 322 T HA 0.081 4.431 4.350 -0.000 0.000 0.259 322 T C 1.345 176.235 174.700 0.317 0.000 0.978 322 T CA 0.498 62.756 62.100 0.263 0.000 1.050 322 T CB -0.099 68.827 68.868 0.097 0.000 1.136 322 T HN 0.501 nan 8.240 nan 0.000 0.465 323 T N 2.798 117.453 114.554 0.168 0.000 2.881 323 T HA 0.129 4.479 4.350 -0.000 0.000 0.270 323 T C 2.200 176.941 174.700 0.069 0.000 1.068 323 T CA 1.197 63.362 62.100 0.107 0.000 1.131 323 T CB -0.675 68.232 68.868 0.066 0.000 0.871 323 T HN 0.584 nan 8.240 nan 0.000 0.479 324 A N 0.264 123.084 122.820 0.001 0.000 2.216 324 A HA 0.149 4.469 4.320 -0.000 0.000 0.214 324 A C 1.406 178.671 177.584 -0.531 0.000 1.160 324 A CA 0.748 52.667 52.037 -0.195 0.000 0.725 324 A CB -0.789 18.063 19.000 -0.246 0.000 0.784 324 A HN 0.563 nan 8.150 nan 0.000 0.472 325 F N -0.506 119.409 119.950 -0.058 0.000 2.724 325 F HA 0.123 4.650 4.527 -0.000 0.000 0.306 325 F C 1.573 177.320 175.800 -0.088 0.000 1.100 325 F CA 0.457 58.401 58.000 -0.093 0.000 1.255 325 F CB -0.252 38.711 39.000 -0.062 0.000 1.072 325 F HN 0.108 nan 8.300 nan 0.000 0.589 326 T N -1.474 113.139 114.554 0.098 0.000 2.868 326 T HA 0.104 4.454 4.350 -0.000 0.000 0.292 326 T C 1.553 176.242 174.700 -0.018 0.000 1.028 326 T CA 0.170 62.295 62.100 0.041 0.000 1.059 326 T CB 1.312 70.203 68.868 0.038 0.000 0.991 326 T HN 0.274 nan 8.240 nan 0.000 0.531 327 T N -0.179 114.366 114.554 -0.016 0.000 3.025 327 T HA -0.058 4.292 4.350 -0.000 0.000 0.270 327 T C 0.800 175.477 174.700 -0.038 0.000 1.126 327 T CA 0.481 62.560 62.100 -0.034 0.000 1.105 327 T CB -0.509 68.354 68.868 -0.009 0.000 0.884 327 T HN 0.700 nan 8.240 nan 0.000 0.522 328 N N 2.348 121.035 118.700 -0.021 0.000 2.920 328 N HA 0.479 5.219 4.740 -0.000 0.000 0.310 328 N C -0.433 175.075 175.510 -0.004 0.000 1.384 328 N CA -0.097 52.947 53.050 -0.010 0.000 1.083 328 N CB 0.742 39.230 38.487 0.002 0.000 1.389 328 N HN 0.517 nan 8.380 nan 0.000 0.521 329 A N 0.239 123.041 122.820 -0.029 0.000 2.309 329 A HA 0.181 4.501 4.320 -0.000 0.000 0.298 329 A C 0.528 178.172 177.584 0.099 0.000 1.165 329 A CA -0.510 51.538 52.037 0.018 0.000 0.821 329 A CB 0.834 19.726 19.000 -0.180 0.000 1.102 329 A HN 0.160 nan 8.150 nan 0.000 0.500 330 D N 2.223 122.722 120.400 0.165 0.000 2.881 330 D HA 0.122 4.762 4.640 -0.000 0.000 0.240 330 D C -0.390 175.971 176.300 0.101 0.000 1.249 330 D CA 0.135 54.189 54.000 0.089 0.000 0.839 330 D CB -0.247 40.563 40.800 0.017 0.000 1.042 330 D HN 0.444 nan 8.370 nan 0.000 0.475 331 F N 0.486 120.351 119.950 -0.142 0.000 2.703 331 F HA 0.052 4.579 4.527 -0.000 0.000 0.299 331 F C 2.429 178.131 175.800 -0.163 0.000 1.229 331 F CA 0.053 57.950 58.000 -0.172 0.000 1.430 331 F CB -0.891 37.976 39.000 -0.222 0.000 1.053 331 F HN 0.124 nan 8.300 nan 0.000 0.513 332 R N 0.490 120.993 120.500 0.005 0.000 2.377 332 R HA 0.004 4.344 4.340 -0.000 0.000 0.207 332 R C 2.304 178.573 176.300 -0.051 0.000 1.075 332 R CA 0.995 57.080 56.100 -0.024 0.000 1.035 332 R CB -1.933 28.355 30.300 -0.020 0.000 0.857 332 R HN 0.443 nan 8.270 nan 0.000 0.475 333 G N 0.569 109.312 108.800 -0.096 0.000 2.448 333 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 333 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 333 G C 1.609 176.483 174.900 -0.044 0.000 1.135 333 G CA 1.207 46.259 45.100 -0.079 0.000 0.784 333 G HN 0.715 nan 8.290 nan 0.000 0.543 334 M N -0.916 118.589 119.600 -0.158 0.000 2.470 334 M HA 0.342 4.822 4.480 -0.000 0.000 0.262 334 M C 0.733 176.951 176.300 -0.138 0.000 1.211 334 M CA 0.452 55.598 55.300 -0.257 0.000 1.125 334 M CB 0.772 32.885 32.600 -0.812 0.000 1.480 334 M HN 0.020 nan 8.290 nan 0.000 0.541 335 T N -0.749 113.745 114.554 -0.099 0.000 2.773 335 T HA 0.719 5.069 4.350 -0.000 0.000 0.278 335 T C -1.205 173.479 174.700 -0.026 0.000 1.011 335 T CA -0.561 61.505 62.100 -0.057 0.000 1.014 335 T CB 1.903 70.713 68.868 -0.096 0.000 1.293 335 T HN 0.378 nan 8.240 nan 0.000 0.554 341 A N 4.482 127.010 122.820 -0.485 0.000 2.609 341 A HA 0.752 5.072 4.320 -0.000 0.000 0.291 341 A C -0.989 176.260 177.584 -0.559 0.000 1.096 341 A CA -0.692 50.979 52.037 -0.610 0.000 0.684 341 A CB 1.422 20.230 19.000 -0.320 0.000 1.282 341 A HN 0.625 nan 8.150 nan 0.000 0.412 342 I N 1.951 122.118 120.570 -0.670 0.000 2.533 342 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 342 I C 1.349 177.403 176.117 -0.105 0.000 1.109 342 I CA 0.365 61.428 61.300 -0.395 0.000 1.412 342 I CB 1.245 38.973 38.000 -0.453 0.000 1.396 342 I HN 0.755 nan 8.210 nan 0.000 0.543 343 S N 3.037 118.720 115.700 -0.029 0.000 2.492 343 S HA 0.128 4.598 4.470 -0.000 0.000 0.218 343 S C 0.609 175.256 174.600 0.079 0.000 1.016 343 S CA -0.147 58.075 58.200 0.037 0.000 0.916 343 S CB 0.368 63.560 63.200 -0.013 0.000 0.791 343 S HN 0.533 nan 8.310 nan 0.000 0.513 344 K N -0.221 120.227 120.400 0.080 0.000 2.571 344 K HA 0.729 5.049 4.320 -0.000 0.000 0.289 344 K C -2.184 174.477 176.600 0.101 0.000 1.028 344 K CA -0.577 55.762 56.287 0.086 0.000 0.895 344 K CB 2.037 34.555 32.500 0.030 0.000 1.534 344 K HN 0.132 nan 8.250 nan 0.000 0.421 345 V N 2.069 122.040 119.914 0.096 0.000 2.735 345 V HA 0.413 4.533 4.120 -0.000 0.000 0.276 345 V C -1.490 174.654 176.094 0.083 0.000 1.083 345 V CA -0.635 61.718 62.300 0.089 0.000 0.923 345 V CB 1.276 33.169 31.823 0.117 0.000 1.053 345 V HN 0.695 nan 8.190 nan 0.000 0.471 346 I N 5.162 125.780 120.570 0.080 0.000 2.312 346 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 346 I C 0.092 176.279 176.117 0.116 0.000 1.008 346 I CA -0.048 61.308 61.300 0.093 0.000 1.226 346 I CB 0.910 38.959 38.000 0.081 0.000 1.371 346 I HN 0.621 nan 8.210 nan 0.000 0.468 347 H N 6.961 126.049 119.070 0.030 0.000 2.616 347 H HA 0.618 5.174 4.556 -0.000 0.000 0.353 347 H C -1.405 173.951 175.328 0.047 0.000 1.170 347 H CA -0.682 55.378 56.048 0.020 0.000 1.212 347 H CB 1.989 31.747 29.762 -0.005 0.000 1.653 347 H HN 0.648 nan 8.280 nan 0.000 0.537 348 Q N 3.244 122.729 119.800 -0.524 0.000 2.487 348 Q HA 0.287 4.627 4.340 -0.000 0.000 0.234 348 Q C -1.661 174.210 176.000 -0.215 0.000 0.828 348 Q CA -0.467 55.264 55.803 -0.121 0.000 0.907 348 Q CB 1.036 29.802 28.738 0.046 0.000 1.462 348 Q HN 0.808 nan 8.270 nan 0.000 0.442 349 S N 1.878 117.602 115.700 0.041 0.000 2.726 349 S HA 0.970 5.440 4.470 -0.000 0.000 0.308 349 S C -0.612 174.236 174.600 0.413 0.000 1.115 349 S CA -0.575 57.641 58.200 0.027 0.000 0.965 349 S CB 1.414 64.599 63.200 -0.026 0.000 1.145 349 S HN 0.537 nan 8.310 nan 0.000 0.532 350 F N -2.344 118.042 119.950 0.726 0.000 2.741 350 F HA 0.891 5.418 4.527 -0.000 0.000 0.313 350 F C -1.306 174.866 175.800 0.619 0.000 1.153 350 F CA -1.438 56.976 58.000 0.691 0.000 0.931 350 F CB 0.935 40.161 39.000 0.376 0.000 1.335 350 F HN 0.715 nan 8.300 nan 0.000 0.460 351 V N 0.210 120.499 119.914 0.626 0.000 3.147 351 V HA 0.878 4.997 4.120 -0.000 0.000 0.299 351 V C -1.793 174.282 176.094 -0.031 0.000 1.302 351 V CA -0.202 62.254 62.300 0.261 0.000 1.015 351 V CB 2.036 33.860 31.823 0.001 0.000 1.086 351 V HN 1.903 nan 8.190 nan 0.000 0.437 352 A N 4.942 127.662 122.820 -0.167 0.000 3.007 352 A HA 0.647 4.967 4.320 -0.000 0.000 0.314 352 A C -0.778 176.549 177.584 -0.427 0.000 1.153 352 A CA -0.284 51.578 52.037 -0.292 0.000 0.780 352 A CB 0.836 19.727 19.000 -0.181 0.000 1.258 352 A HN 1.130 nan 8.150 nan 0.000 0.460 353 V N 3.122 122.588 119.914 -0.746 0.000 2.617 353 V HA 0.293 4.412 4.120 -0.000 0.000 0.304 353 V C 0.317 176.166 176.094 -0.409 0.000 1.040 353 V CA 1.147 63.049 62.300 -0.662 0.000 1.149 353 V CB 0.336 31.547 31.823 -1.020 0.000 0.914 353 V HN 1.013 nan 8.190 nan 0.000 0.487 354 D N 2.681 122.944 120.400 -0.229 0.000 2.825 354 D HA 0.219 4.859 4.640 -0.000 0.000 0.327 354 D C 0.120 176.434 176.300 0.023 0.000 1.277 354 D CA -0.789 53.127 54.000 -0.139 0.000 0.950 354 D CB 0.778 41.501 40.800 -0.129 0.000 1.438 354 D HN 0.242 nan 8.370 nan 0.000 0.526 355 E N -1.346 118.872 120.200 0.030 0.000 2.520 355 E HA 0.059 4.409 4.350 -0.000 0.000 0.201 355 E C 0.316 177.146 176.600 0.383 0.000 1.122 355 E CA 0.611 57.141 56.400 0.217 0.000 0.896 355 E CB -0.055 29.740 29.700 0.157 0.000 0.891 355 E HN 0.237 nan 8.360 nan 0.000 0.533 356 K N -1.937 118.603 120.400 0.232 0.000 2.517 356 K HA 0.416 4.736 4.320 -0.000 0.000 0.210 356 K C 0.848 177.258 176.600 -0.317 0.000 1.166 356 K CA 0.229 56.587 56.287 0.118 0.000 1.030 356 K CB 1.055 33.560 32.500 0.008 0.000 0.974 356 K HN 0.310 nan 8.250 nan 0.000 0.585 357 G N 1.036 109.321 108.800 -0.858 0.000 3.405 357 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.246 357 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.246 357 G C 0.170 174.636 174.900 -0.723 0.000 1.852 357 G CA 0.341 44.480 45.100 -1.603 0.000 1.510 357 G HN 1.052 nan 8.290 nan 0.000 0.570 358 T N -3.031 111.259 114.554 -0.441 0.000 2.821 358 T HA 0.725 5.075 4.350 -0.000 0.000 0.306 358 T C 0.283 174.833 174.700 -0.249 0.000 1.313 358 T CA 1.034 62.947 62.100 -0.310 0.000 1.012 358 T CB 1.116 69.837 68.868 -0.246 0.000 1.298 358 T HN 2.298 nan 8.240 nan 0.000 0.502 359 E N -0.521 119.585 120.200 -0.158 0.000 0.993 359 E HA 0.232 4.582 4.350 -0.000 0.000 0.180 359 E C 0.410 176.948 176.600 -0.103 0.000 0.713 359 E CA 0.893 57.239 56.400 -0.090 0.000 0.414 359 E CB -1.964 27.750 29.700 0.022 0.000 1.047 359 E HN 1.488 nan 8.360 nan 0.000 0.238 360 A N 0.335 123.087 122.820 -0.113 0.000 2.312 360 A HA 0.848 5.168 4.320 -0.000 0.000 0.326 360 A C 0.667 178.225 177.584 -0.042 0.000 1.172 360 A CA 0.052 52.032 52.037 -0.095 0.000 0.821 360 A CB 1.443 20.374 19.000 -0.115 0.000 1.166 360 A HN 1.822 nan 8.150 nan 0.000 0.493 361 A N 1.698 124.503 122.820 -0.024 0.000 2.410 361 A HA 0.575 4.895 4.320 -0.000 0.000 0.292 361 A C 0.639 178.216 177.584 -0.011 0.000 1.232 361 A CA 0.448 52.481 52.037 -0.007 0.000 0.893 361 A CB -0.738 18.264 19.000 0.003 0.000 1.131 361 A HN 1.837 nan 8.150 nan 0.000 0.530 362 A N 2.093 124.908 122.820 -0.008 0.000 2.282 362 A HA 0.945 5.265 4.320 -0.000 0.000 0.324 362 A C 0.287 177.873 177.584 0.003 0.000 1.119 362 A CA -0.180 51.856 52.037 -0.001 0.000 0.880 362 A CB 1.155 20.156 19.000 0.002 0.000 1.294 362 A HN 2.523 nan 8.150 nan 0.000 0.493 363 A N 0.001 122.826 122.820 0.008 0.000 1.610 363 A HA 0.418 4.738 4.320 -0.000 0.000 0.236 363 A C -0.071 177.519 177.584 0.009 0.000 1.723 363 A CA 0.404 52.446 52.037 0.007 0.000 1.769 363 A CB -1.033 17.970 19.000 0.004 0.000 0.649 363 A HN 1.961 nan 8.150 nan 0.000 0.829 364 T N 0.049 114.611 114.554 0.013 0.000 3.406 364 T HA 0.476 4.826 4.350 -0.000 0.000 0.244 364 T C 1.655 176.360 174.700 0.008 0.000 0.949 364 T CA 1.286 63.394 62.100 0.014 0.000 0.926 364 T CB -0.730 68.152 68.868 0.023 0.000 1.089 364 T HN 2.005 nan 8.240 nan 0.000 0.604 365 A N 1.434 124.257 122.820 0.006 0.000 1.855 365 A HA -0.189 4.131 4.320 -0.000 0.000 0.290 365 A C 1.180 178.765 177.584 0.001 0.000 3.052 365 A CA 2.376 54.415 52.037 0.003 0.000 0.951 365 A CB -1.524 17.477 19.000 0.001 0.000 0.770 365 A HN 0.705 nan 8.150 nan 0.000 0.505 366 V N 1.422 121.335 119.914 -0.002 0.000 2.353 366 V HA 0.341 4.461 4.120 -0.000 0.000 0.264 366 V C -0.248 175.841 176.094 -0.008 0.000 1.049 366 V CA -0.093 62.204 62.300 -0.005 0.000 0.896 366 V CB 0.832 32.650 31.823 -0.008 0.000 1.025 366 V HN 0.409 nan 8.190 nan 0.000 0.475 367 I N 6.843 127.409 120.570 -0.007 0.000 2.330 367 I HA 0.487 4.657 4.170 -0.000 0.000 0.289 367 I C -0.140 175.967 176.117 -0.016 0.000 1.001 367 I CA -0.191 61.102 61.300 -0.012 0.000 1.193 367 I CB 1.645 39.642 38.000 -0.005 0.000 1.345 367 I HN 0.484 nan 8.210 nan 0.000 0.461 368 I N 5.915 126.470 120.570 -0.025 0.000 2.641 368 I HA 0.090 4.260 4.170 -0.000 0.000 0.275 368 I C 0.184 176.279 176.117 -0.037 0.000 1.129 368 I CA -0.225 61.059 61.300 -0.027 0.000 1.094 368 I CB 1.364 39.350 38.000 -0.024 0.000 1.232 368 I HN 0.507 nan 8.210 nan 0.000 0.503 369 S N 2.674 118.351 115.700 -0.038 0.000 2.586 369 S HA 0.686 5.156 4.470 -0.000 0.000 0.274 369 S C -0.140 174.433 174.600 -0.044 0.000 1.281 369 S CA -0.528 57.641 58.200 -0.051 0.000 1.035 369 S CB 1.289 64.457 63.200 -0.054 0.000 0.962 369 S HN 0.372 nan 8.310 nan 0.000 0.512 370 F N 0.279 120.197 119.950 -0.053 0.000 2.449 370 F HA 0.531 5.058 4.527 -0.000 0.000 0.344 370 F C 0.627 176.399 175.800 -0.046 0.000 1.180 370 F CA -1.399 56.575 58.000 -0.044 0.000 1.209 370 F CB -0.675 38.298 39.000 -0.045 0.000 1.440 370 F HN 0.798 nan 8.300 nan 0.000 0.526 371 T N 2.556 117.088 114.554 -0.036 0.000 2.765 371 T HA 0.393 4.743 4.350 -0.000 0.000 0.284 371 T C 0.559 175.243 174.700 -0.026 0.000 0.946 371 T CA 1.092 63.173 62.100 -0.031 0.000 1.185 371 T CB 0.260 69.120 68.868 -0.013 0.000 0.887 371 T HN 0.731 nan 8.240 nan 0.000 0.532 372 T N 1.994 116.529 114.554 -0.032 0.000 2.742 372 T HA 0.768 5.118 4.350 -0.000 0.000 0.282 372 T C -0.075 174.612 174.700 -0.022 0.000 1.025 372 T CA -0.649 61.435 62.100 -0.027 0.000 1.020 372 T CB 1.532 70.381 68.868 -0.032 0.000 1.317 372 T HN 0.653 nan 8.240 nan 0.000 0.538 373 S N 0.355 116.043 115.700 -0.019 0.000 2.521 373 S HA 0.815 5.285 4.470 -0.000 0.000 0.295 373 S C -0.047 174.548 174.600 -0.010 0.000 1.098 373 S CA -0.598 57.594 58.200 -0.013 0.000 0.999 373 S CB 0.451 63.647 63.200 -0.006 0.000 1.034 373 S HN 1.230 nan 8.310 nan 0.000 0.483 378 V N 2.364 121.804 119.914 -0.789 0.000 2.667 378 V HA 0.679 4.798 4.120 -0.000 0.000 0.308 378 V C -1.199 174.646 176.094 -0.414 0.000 1.048 378 V CA -0.919 61.105 62.300 -0.460 0.000 0.928 378 V CB 1.464 33.154 31.823 -0.221 0.000 1.004 378 V HN 0.735 nan 8.190 nan 0.000 0.444 379 L N 4.592 125.728 121.223 -0.145 0.000 2.264 379 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 379 L C 0.367 177.271 176.870 0.056 0.000 1.039 379 L CA -0.061 54.768 54.840 -0.019 0.000 0.829 379 L CB 1.041 43.128 42.059 0.047 0.000 1.211 379 L HN 0.872 nan 8.230 nan 0.000 0.427 380 K N 5.337 125.768 120.400 0.051 0.000 2.363 380 K HA 0.125 4.445 4.320 -0.000 0.000 0.289 380 K C -0.685 176.001 176.600 0.142 0.000 1.063 380 K CA 0.126 56.478 56.287 0.109 0.000 0.967 380 K CB -0.514 32.034 32.500 0.079 0.000 0.987 380 K HN 0.507 nan 8.250 nan 0.000 0.473 381 F N 3.574 123.557 119.950 0.054 0.000 2.389 381 F HA 0.361 4.888 4.527 -0.000 0.000 0.327 381 F C 0.459 176.293 175.800 0.056 0.000 1.204 381 F CA -0.486 57.526 58.000 0.020 0.000 1.209 381 F CB 0.272 39.250 39.000 -0.038 0.000 1.460 381 F HN 0.656 nan 8.300 nan 0.000 0.537 382 K N 2.194 122.622 120.400 0.046 0.000 2.297 382 K HA 0.596 4.915 4.320 -0.000 0.000 0.286 382 K C -0.527 175.999 176.600 -0.123 0.000 1.053 382 K CA -0.345 55.990 56.287 0.080 0.000 0.940 382 K CB 0.789 33.274 32.500 -0.025 0.000 1.019 382 K HN 0.309 nan 8.250 nan 0.000 0.475 383 V N 4.114 123.989 119.914 -0.065 0.000 2.192 383 V HA 0.134 4.254 4.120 -0.000 0.000 0.264 383 V C -0.100 175.947 176.094 -0.079 0.000 1.155 383 V CA -0.342 61.821 62.300 -0.229 0.000 1.005 383 V CB 0.201 31.834 31.823 -0.317 0.000 1.201 383 V HN 1.004 nan 8.190 nan 0.000 0.468 384 D N 1.053 121.361 120.400 -0.152 0.000 2.501 384 D HA 0.105 4.745 4.640 -0.000 0.000 0.224 384 D C 0.395 176.364 176.300 -0.552 0.000 1.202 384 D CA -0.097 53.854 54.000 -0.082 0.000 0.829 384 D CB 0.222 40.988 40.800 -0.056 0.000 1.023 384 D HN 0.627 nan 8.370 nan 0.000 0.499 385 H N -3.013 115.779 119.070 -0.463 0.000 3.008 385 H HA 0.472 5.028 4.556 -0.000 0.000 0.354 385 H C -3.202 172.196 175.328 0.117 0.000 1.252 385 H CA -2.078 53.578 56.048 -0.652 0.000 1.117 385 H CB 0.079 29.653 29.762 -0.313 0.000 1.857 385 H HN -0.345 nan 8.280 nan 0.000 0.547 386 P HA -0.128 nan 4.420 nan 0.000 0.262 386 P C -0.809 176.791 177.300 0.500 0.000 1.151 386 P CA 1.106 64.485 63.100 0.464 0.000 0.757 386 P CB -0.163 31.684 31.700 0.246 0.000 0.754 387 F N 0.567 120.676 119.950 0.264 0.000 2.715 387 F HA 0.614 5.141 4.527 -0.000 0.000 0.318 387 F C -0.787 175.110 175.800 0.162 0.000 1.141 387 F CA -1.041 57.090 58.000 0.220 0.000 0.950 387 F CB 1.167 40.286 39.000 0.198 0.000 1.374 387 F HN 0.212 nan 8.300 nan 0.000 0.477 388 H N 0.633 119.876 119.070 0.288 0.000 2.529 388 H HA 0.645 5.201 4.556 -0.000 0.000 0.348 388 H C -1.628 173.822 175.328 0.204 0.000 1.152 388 H CA -0.314 55.744 56.048 0.016 0.000 1.202 388 H CB 2.292 32.035 29.762 -0.033 0.000 1.562 388 H HN 0.719 nan 8.280 nan 0.000 0.515 389 F N 2.230 122.162 119.950 -0.029 0.000 2.622 389 F HA 0.454 4.981 4.527 -0.000 0.000 0.318 389 F C -2.208 173.587 175.800 -0.009 0.000 1.135 389 F CA -1.324 56.727 58.000 0.085 0.000 1.015 389 F CB 0.597 39.817 39.000 0.367 0.000 1.275 389 F HN 0.299 nan 8.300 nan 0.000 0.457 390 F N 2.413 122.410 119.950 0.078 0.000 2.629 390 F HA 0.909 5.436 4.527 -0.000 0.000 0.316 390 F C -1.849 174.160 175.800 0.348 0.000 1.081 390 F CA -2.167 55.859 58.000 0.043 0.000 0.954 390 F CB 1.569 40.514 39.000 -0.092 0.000 1.337 390 F HN 0.492 nan 8.300 nan 0.000 0.474 391 I N 2.426 123.373 120.570 0.629 0.000 2.465 391 I HA 0.559 4.728 4.170 -0.000 0.000 0.291 391 I C -0.587 175.795 176.117 0.442 0.000 1.014 391 I CA -0.778 60.805 61.300 0.472 0.000 1.093 391 I CB 2.139 40.237 38.000 0.164 0.000 1.267 391 I HN 0.751 nan 8.210 nan 0.000 0.431 392 R N 3.908 124.663 120.500 0.425 0.000 2.795 392 R HA 0.324 4.664 4.340 -0.000 0.000 0.275 392 R C -0.723 175.678 176.300 0.170 0.000 0.981 392 R CA -0.695 55.575 56.100 0.283 0.000 0.917 392 R CB 1.677 32.175 30.300 0.330 0.000 1.202 392 R HN 0.639 nan 8.270 nan 0.000 0.469 393 H N 4.993 124.049 119.070 -0.024 0.000 2.820 393 H HA 0.084 4.640 4.556 -0.000 0.000 0.248 393 H C 0.064 175.448 175.328 0.094 0.000 1.714 393 H CA 0.009 56.025 56.048 -0.053 0.000 1.334 393 H CB 0.239 29.892 29.762 -0.181 0.000 1.693 393 H HN 0.613 nan 8.280 nan 0.000 0.548 394 N N 2.682 121.436 118.700 0.091 0.000 2.182 394 N HA -0.317 4.423 4.740 -0.000 0.000 0.200 394 N C 1.867 177.457 175.510 0.134 0.000 0.989 394 N CA 1.729 54.864 53.050 0.142 0.000 0.907 394 N CB 0.023 38.608 38.487 0.163 0.000 1.048 394 N HN 0.477 nan 8.380 nan 0.000 0.494 395 K N 1.286 121.730 120.400 0.073 0.000 2.020 395 K HA -0.114 4.206 4.320 -0.000 0.000 0.212 395 K C 1.889 178.642 176.600 0.255 0.000 1.050 395 K CA 2.233 58.625 56.287 0.175 0.000 0.929 395 K CB -0.418 32.225 32.500 0.239 0.000 0.714 395 K HN 0.299 nan 8.250 nan 0.000 0.443 396 S N -1.112 114.834 115.700 0.410 0.000 2.540 396 S HA 0.234 4.704 4.470 -0.000 0.000 0.218 396 S C 0.185 174.902 174.600 0.195 0.000 0.977 396 S CA -0.085 58.267 58.200 0.253 0.000 0.918 396 S CB 0.005 63.321 63.200 0.194 0.000 0.806 396 S HN 0.380 nan 8.310 nan 0.000 0.496 397 K N 0.348 120.872 120.400 0.205 0.000 3.426 397 K HA -0.128 4.192 4.320 -0.000 0.000 0.315 397 K C -0.673 176.020 176.600 0.154 0.000 1.293 397 K CA 1.144 57.522 56.287 0.152 0.000 0.955 397 K CB -2.598 29.976 32.500 0.123 0.000 1.238 397 K HN 0.519 nan 8.250 nan 0.000 0.441 398 T N 1.921 116.571 114.554 0.160 0.000 2.817 398 T HA 0.230 4.580 4.350 -0.000 0.000 0.295 398 T C 0.781 175.535 174.700 0.089 0.000 0.958 398 T CA 0.002 62.173 62.100 0.119 0.000 1.157 398 T CB 0.406 69.343 68.868 0.114 0.000 0.898 398 T HN 0.105 nan 8.240 nan 0.000 0.536 399 I N 4.818 125.437 120.570 0.083 0.000 2.396 399 I HA 0.100 4.270 4.170 -0.000 0.000 0.289 399 I C 1.169 177.358 176.117 0.121 0.000 1.056 399 I CA -0.126 61.216 61.300 0.070 0.000 1.365 399 I CB 0.823 38.809 38.000 -0.023 0.000 1.407 399 I HN 0.632 nan 8.210 nan 0.000 0.509 400 L N 6.029 127.332 121.223 0.132 0.000 2.316 400 L HA 0.228 4.568 4.340 -0.000 0.000 0.207 400 L C -0.139 176.754 176.870 0.038 0.000 1.070 400 L CA 0.710 55.626 54.840 0.126 0.000 0.820 400 L CB 0.048 42.146 42.059 0.064 0.000 0.992 400 L HN 0.368 nan 8.230 nan 0.000 0.466 401 F N -1.351 118.578 119.950 -0.035 0.000 2.588 401 F HA 0.535 5.062 4.527 -0.000 0.000 0.314 401 F C -0.654 175.147 175.800 0.002 0.000 1.069 401 F CA -1.214 56.737 58.000 -0.081 0.000 0.931 401 F CB 2.052 41.071 39.000 0.031 0.000 1.260 401 F HN -0.325 nan 8.300 nan 0.000 0.465 402 F N 0.345 120.103 119.950 -0.321 0.000 2.628 402 F HA 0.774 5.301 4.527 -0.000 0.000 0.309 402 F C -0.535 174.877 175.800 -0.645 0.000 1.108 402 F CA -0.316 57.411 58.000 -0.455 0.000 0.971 402 F CB 2.048 40.657 39.000 -0.652 0.000 1.279 402 F HN 0.657 nan 8.300 nan 0.000 0.441 403 G N 3.592 111.801 108.800 -0.986 0.000 2.550 403 G HA2 0.549 4.509 3.960 -0.000 0.000 0.293 403 G HA3 0.549 4.509 3.960 -0.000 0.000 0.293 403 G C -2.370 172.050 174.900 -0.800 0.000 1.402 403 G CA -1.146 43.562 45.100 -0.653 0.000 0.784 403 G HN 0.799 nan 8.290 nan 0.000 0.482 404 R N -0.783 119.521 120.500 -0.328 0.000 2.575 404 R HA 0.674 5.014 4.340 -0.000 0.000 0.293 404 R C -2.095 174.090 176.300 -0.191 0.000 0.983 404 R CA -0.768 55.105 56.100 -0.377 0.000 0.887 404 R CB 1.653 31.845 30.300 -0.180 0.000 1.184 404 R HN 0.450 nan 8.270 nan 0.000 0.445 405 F N 5.397 124.989 119.950 -0.596 0.000 2.482 405 F HA 0.455 4.982 4.527 -0.000 0.000 0.331 405 F C 0.034 175.613 175.800 -0.369 0.000 1.115 405 F CA -0.501 57.109 58.000 -0.650 0.000 0.955 405 F CB 1.455 39.649 39.000 -1.343 0.000 1.136 405 F HN 0.792 nan 8.300 nan 0.000 0.452 406 C N 1.163 119.952 119.300 -0.851 0.000 4.210 406 C HA 0.428 4.887 4.460 -0.000 0.000 0.334 406 C C -1.035 173.727 174.990 -0.380 0.000 2.231 406 C CA -0.987 57.834 59.018 -0.328 0.000 1.540 406 C CB -1.227 26.461 27.740 -0.086 0.000 2.780 406 C HN 0.727 nan 8.230 nan 0.000 0.536 407 C N 1.905 120.723 119.300 -0.804 0.000 2.571 407 C HA 0.539 4.999 4.460 -0.000 0.000 0.343 407 C C -2.028 172.686 174.990 -0.461 0.000 1.082 407 C CA -0.313 58.437 59.018 -0.447 0.000 1.339 407 C CB 1.303 28.904 27.740 -0.232 0.000 1.893 407 C HN 0.383 nan 8.230 nan 0.000 0.445 408 P HA 0.028 nan 4.420 nan 0.000 0.255 408 P C 0.323 177.613 177.300 -0.017 0.000 1.248 408 P CA 0.298 63.358 63.100 -0.067 0.000 0.807 408 P CB 0.081 31.790 31.700 0.015 0.000 1.150 409 V N 1.420 121.309 119.914 -0.041 0.000 2.555 409 V HA -0.139 3.981 4.120 -0.000 0.000 0.299 409 V C 1.100 177.197 176.094 0.005 0.000 1.012 409 V CA 0.956 63.251 62.300 -0.009 0.000 1.180 409 V CB -0.730 31.081 31.823 -0.019 0.000 0.887 409 V HN 0.210 nan 8.190 nan 0.000 0.476 410 E N 0.000 120.211 120.200 0.019 0.000 2.725 410 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 410 E CA 0.000 56.415 56.400 0.026 0.000 0.976 410 E CB 0.000 29.718 29.700 0.030 0.000 0.812 410 E HN 0.000 nan 8.360 nan 0.000 0.440