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 1x29_1_B DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.240 176.300 -0.100 0.000 1.140 5 M CA 0.000 55.141 55.300 -0.266 0.000 0.988 5 M CB 0.000 32.324 32.600 -0.460 0.000 1.302 6 F N 1.106 121.055 119.950 -0.002 0.000 2.721 6 F HA 0.382 4.909 4.527 -0.000 0.000 0.301 6 F C 1.459 177.258 175.800 -0.002 0.000 1.096 6 F CA 0.315 58.314 58.000 -0.002 0.000 1.308 6 F CB -0.422 38.577 39.000 -0.002 0.000 1.086 6 F HN 0.147 nan 8.300 nan 0.000 0.587 7 E N 0.454 120.739 120.200 0.142 0.000 2.160 7 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 7 E C 1.030 177.670 176.600 0.066 0.000 0.991 7 E CA 1.420 57.870 56.400 0.084 0.000 0.810 7 E CB -0.482 29.241 29.700 0.040 0.000 0.742 7 E HN 0.243 nan 8.360 nan 0.000 0.466 8 N N -0.273 118.467 118.700 0.066 0.000 2.235 8 N HA 0.184 4.924 4.740 -0.000 0.000 0.209 8 N C -0.563 174.976 175.510 0.048 0.000 1.122 8 N CA -0.073 53.005 53.050 0.046 0.000 0.845 8 N CB 0.343 38.850 38.487 0.033 0.000 1.004 8 N HN 0.107 nan 8.380 nan 0.000 0.499 9 I N 0.404 121.014 120.570 0.066 0.000 2.588 9 I HA -0.026 4.144 4.170 -0.000 0.000 0.283 9 I C 0.932 177.062 176.117 0.021 0.000 1.119 9 I CA 0.165 61.492 61.300 0.044 0.000 1.419 9 I CB 0.764 38.788 38.000 0.041 0.000 1.394 9 I HN 0.007 nan 8.210 nan 0.000 0.562 10 T N 5.727 120.287 114.554 0.010 0.000 2.856 10 T HA 0.527 4.877 4.350 -0.000 0.000 0.292 10 T C 0.190 174.886 174.700 -0.007 0.000 0.980 10 T CA -0.719 61.383 62.100 0.003 0.000 1.091 10 T CB 0.732 69.600 68.868 0.001 0.000 0.936 10 T HN 0.681 nan 8.240 nan 0.000 0.503 11 A N 3.364 126.179 122.820 -0.008 0.000 2.520 11 A HA 0.581 4.900 4.320 -0.000 0.000 0.235 11 A C 0.747 178.321 177.584 -0.018 0.000 1.065 11 A CA -0.017 52.011 52.037 -0.015 0.000 0.764 11 A CB -0.392 18.601 19.000 -0.012 0.000 1.002 11 A HN 1.247 nan 8.150 nan 0.000 0.502 12 A N 3.056 125.861 122.820 -0.024 0.000 2.304 12 A HA 0.707 5.027 4.320 -0.000 0.000 0.301 12 A C -1.643 175.927 177.584 -0.024 0.000 1.132 12 A CA -1.310 50.711 52.037 -0.027 0.000 0.819 12 A CB -0.251 18.728 19.000 -0.034 0.000 1.094 12 A HN 0.829 nan 8.150 nan 0.000 0.492 13 P HA 0.465 nan 4.420 nan 0.000 0.277 13 P C -0.139 177.146 177.300 -0.025 0.000 1.240 13 P CA -0.141 62.945 63.100 -0.022 0.000 0.798 13 P CB 1.014 32.700 31.700 -0.024 0.000 0.979 14 A N 1.629 124.439 122.820 -0.017 0.000 2.466 14 A HA 0.072 4.392 4.320 -0.000 0.000 0.238 14 A C 0.281 177.849 177.584 -0.026 0.000 1.074 14 A CA -0.180 51.848 52.037 -0.016 0.000 0.774 14 A CB -0.486 18.514 19.000 -0.000 0.000 1.015 14 A HN 0.680 nan 8.150 nan 0.000 0.498 15 D N 1.303 121.684 120.400 -0.032 0.000 2.425 15 D HA 0.221 4.861 4.640 -0.000 0.000 0.247 15 D C -1.115 175.164 176.300 -0.036 0.000 1.147 15 D CA -0.994 52.976 54.000 -0.051 0.000 0.879 15 D CB 0.834 41.602 40.800 -0.054 0.000 1.179 15 D HN 0.255 nan 8.370 nan 0.000 0.456 16 P HA -0.134 nan 4.420 nan 0.000 0.225 16 P C 0.701 177.994 177.300 -0.011 0.000 1.148 16 P CA 0.821 63.902 63.100 -0.030 0.000 0.779 16 P CB 0.393 32.063 31.700 -0.050 0.000 0.780 17 I N -1.101 119.459 120.570 -0.017 0.000 3.341 17 I HA 0.036 4.206 4.170 -0.000 0.000 0.243 17 I C 2.587 178.722 176.117 0.030 0.000 1.094 17 I CA 0.288 61.599 61.300 0.018 0.000 1.507 17 I CB -1.411 36.616 38.000 0.046 0.000 1.441 17 I HN -0.147 nan 8.210 nan 0.000 0.465 18 L N 1.122 122.358 121.223 0.022 0.000 2.265 18 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 18 L C 2.527 179.411 176.870 0.022 0.000 1.117 18 L CA 1.268 56.122 54.840 0.022 0.000 0.782 18 L CB -1.001 41.068 42.059 0.017 0.000 0.914 18 L HN 0.345 nan 8.230 nan 0.000 0.441 19 G N 0.483 109.295 108.800 0.020 0.000 2.433 19 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 19 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 19 G C 1.449 176.387 174.900 0.062 0.000 1.186 19 G CA 0.468 45.587 45.100 0.031 0.000 0.779 19 G HN 0.147 nan 8.290 nan 0.000 0.543 20 L N 1.652 122.926 121.223 0.086 0.000 2.137 20 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 20 L C 3.284 180.228 176.870 0.125 0.000 1.085 20 L CA 1.716 56.650 54.840 0.156 0.000 0.760 20 L CB -0.810 41.356 42.059 0.179 0.000 0.893 20 L HN 0.308 nan 8.230 nan 0.000 0.434 21 A N -0.723 122.135 122.820 0.063 0.000 1.940 21 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 21 A C 2.034 179.657 177.584 0.066 0.000 1.176 21 A CA 2.083 54.145 52.037 0.042 0.000 0.631 21 A CB -0.560 18.449 19.000 0.014 0.000 0.814 21 A HN 0.472 nan 8.150 nan 0.000 0.446 22 D N -0.124 120.308 120.400 0.053 0.000 2.149 22 D HA -0.051 4.589 4.640 -0.000 0.000 0.201 22 D C 2.030 178.353 176.300 0.037 0.000 0.972 22 D CA 0.799 54.822 54.000 0.037 0.000 0.835 22 D CB -0.321 40.496 40.800 0.028 0.000 0.966 22 D HN 0.444 nan 8.370 nan 0.000 0.476 23 L N 0.070 121.342 121.223 0.081 0.000 2.017 23 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 23 L C 2.472 179.339 176.870 -0.004 0.000 1.073 23 L CA 0.959 55.871 54.840 0.120 0.000 0.745 23 L CB -0.433 41.803 42.059 0.295 0.000 0.894 23 L HN -0.034 nan 8.230 nan 0.000 0.432 24 F N 1.134 120.881 119.950 -0.338 0.000 2.095 24 F HA -0.314 4.213 4.527 -0.000 0.000 0.298 24 F C 2.904 178.504 175.800 -0.333 0.000 1.104 24 F CA 2.307 59.875 58.000 -0.720 0.000 1.232 24 F CB -0.578 37.989 39.000 -0.721 0.000 0.987 24 F HN -0.059 nan 8.300 nan 0.000 0.475 25 R N 0.448 120.874 120.500 -0.124 0.000 2.127 25 R HA 0.026 4.366 4.340 -0.000 0.000 0.238 25 R C 2.263 178.450 176.300 -0.189 0.000 1.134 25 R CA 1.664 57.680 56.100 -0.139 0.000 0.975 25 R CB -2.059 28.232 30.300 -0.016 0.000 0.865 25 R HN 0.536 nan 8.270 nan 0.000 0.447 26 A N 0.655 123.388 122.820 -0.145 0.000 1.935 26 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 26 A C 1.111 178.617 177.584 -0.129 0.000 1.178 26 A CA 0.394 52.369 52.037 -0.104 0.000 0.640 26 A CB -0.214 18.761 19.000 -0.043 0.000 0.825 26 A HN 0.586 nan 8.150 nan 0.000 0.447 27 D N 0.604 120.903 120.400 -0.169 0.000 2.648 27 D HA -0.026 4.614 4.640 -0.000 0.000 0.229 27 D C 0.614 176.820 176.300 -0.156 0.000 1.119 27 D CA 0.718 54.640 54.000 -0.130 0.000 0.850 27 D CB 0.680 41.397 40.800 -0.139 0.000 1.169 27 D HN 0.531 nan 8.370 nan 0.000 0.489 28 E N 2.299 122.448 120.200 -0.086 0.000 2.385 28 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 28 E C 0.384 176.943 176.600 -0.069 0.000 1.013 28 E CA -0.019 56.334 56.400 -0.078 0.000 0.866 28 E CB -0.076 29.595 29.700 -0.049 0.000 0.832 28 E HN 0.205 nan 8.360 nan 0.000 0.500 29 R N 2.849 123.317 120.500 -0.054 0.000 2.502 29 R HA 0.028 4.368 4.340 -0.000 0.000 0.292 29 R C -1.346 174.926 176.300 -0.046 0.000 0.998 29 R CA -0.842 55.240 56.100 -0.030 0.000 1.056 29 R CB 0.058 30.363 30.300 0.008 0.000 0.939 29 R HN 0.155 nan 8.270 nan 0.000 0.411 30 P HA -0.064 nan 4.420 nan 0.000 0.221 30 P C 0.454 177.753 177.300 -0.003 0.000 1.150 30 P CA 1.091 64.176 63.100 -0.025 0.000 0.800 30 P CB 0.402 32.094 31.700 -0.013 0.000 0.787 31 G N 0.231 109.045 108.800 0.022 0.000 3.518 31 G HA2 0.070 4.030 3.960 -0.000 0.000 0.273 31 G HA3 0.070 4.030 3.960 -0.000 0.000 0.273 31 G C 0.226 175.184 174.900 0.097 0.000 1.199 31 G CA -0.361 44.772 45.100 0.054 0.000 0.899 31 G HN 0.218 nan 8.290 nan 0.000 0.533 32 K N 0.246 120.697 120.400 0.085 0.000 2.469 32 K HA 0.300 4.620 4.320 -0.000 0.000 0.274 32 K C -0.410 176.397 176.600 0.345 0.000 0.983 32 K CA 0.490 56.894 56.287 0.195 0.000 0.974 32 K CB 1.188 33.655 32.500 -0.055 0.000 0.913 32 K HN 0.100 nan 8.250 nan 0.000 0.493 33 I N 1.804 122.637 120.570 0.439 0.000 2.447 33 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 33 I C -0.460 175.768 176.117 0.185 0.000 1.023 33 I CA -0.518 60.945 61.300 0.271 0.000 1.083 33 I CB 1.772 39.858 38.000 0.144 0.000 1.245 33 I HN 0.626 nan 8.210 nan 0.000 0.434 34 N N 6.650 125.212 118.700 -0.230 0.000 2.485 34 N HA 0.320 5.060 4.740 -0.000 0.000 0.243 34 N C -0.613 174.728 175.510 -0.282 0.000 0.987 34 N CA -0.469 52.215 53.050 -0.610 0.000 0.940 34 N CB 0.846 38.453 38.487 -1.466 0.000 1.122 34 N HN 0.451 nan 8.380 nan 0.000 0.509 35 L N 3.917 125.067 121.223 -0.122 0.000 3.202 35 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 35 L C 1.263 178.129 176.870 -0.006 0.000 1.268 35 L CA -0.032 54.766 54.840 -0.071 0.000 1.034 35 L CB 0.501 42.528 42.059 -0.053 0.000 1.407 35 L HN 0.677 nan 8.230 nan 0.000 0.581 36 G N -0.457 108.323 108.800 -0.032 0.000 2.549 36 G HA2 0.127 4.087 3.960 -0.000 0.000 0.219 36 G HA3 0.127 4.087 3.960 -0.000 0.000 0.219 36 G C 0.482 175.417 174.900 0.058 0.000 1.677 36 G CA -0.195 44.919 45.100 0.023 0.000 0.929 36 G HN 0.063 nan 8.290 nan 0.000 0.549 37 I N 2.323 122.902 120.570 0.015 0.000 2.775 37 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 37 I C 1.469 177.650 176.117 0.108 0.000 1.203 37 I CA -0.049 61.284 61.300 0.055 0.000 1.433 37 I CB 0.833 38.819 38.000 -0.023 0.000 1.354 37 I HN 0.172 nan 8.210 nan 0.000 0.579 38 G N 6.495 115.451 108.800 0.260 0.000 2.924 38 G HA2 0.373 4.333 3.960 -0.000 0.000 0.273 38 G HA3 0.373 4.333 3.960 -0.000 0.000 0.273 38 G C -0.321 174.598 174.900 0.032 0.000 0.734 38 G CA -0.107 45.145 45.100 0.252 0.000 2.065 38 G HN 0.364 nan 8.290 nan 0.000 0.580 39 V N 2.114 121.979 119.914 -0.082 0.000 2.604 39 V HA 0.312 4.431 4.120 -0.000 0.000 0.305 39 V C -0.526 175.552 176.094 -0.027 0.000 1.043 39 V CA -1.254 60.932 62.300 -0.190 0.000 0.888 39 V CB 1.758 33.321 31.823 -0.434 0.000 0.995 39 V HN 0.581 nan 8.190 nan 0.000 0.429 40 Y N 5.102 125.429 120.300 0.044 0.000 2.397 40 Y HA 0.442 4.992 4.550 -0.000 0.000 0.335 40 Y C 0.260 176.183 175.900 0.040 0.000 1.213 40 Y CA 0.153 58.291 58.100 0.063 0.000 1.391 40 Y CB 0.594 39.163 38.460 0.182 0.000 1.293 40 Y HN 0.541 nan 8.280 nan 0.000 0.557 41 K N 4.431 124.356 120.400 -0.792 0.000 2.426 41 K HA 0.251 4.571 4.320 -0.000 0.000 0.251 41 K C -1.278 174.818 176.600 -0.840 0.000 0.941 41 K CA -1.085 54.876 56.287 -0.543 0.000 0.808 41 K CB 1.673 33.979 32.500 -0.322 0.000 1.265 41 K HN 0.710 nan 8.250 nan 0.000 0.432 42 D N 0.426 120.626 120.400 -0.333 0.000 2.478 42 D HA 0.027 4.667 4.640 -0.000 0.000 0.269 42 D C 0.704 176.926 176.300 -0.131 0.000 1.232 42 D CA -0.359 53.548 54.000 -0.156 0.000 1.059 42 D CB 0.535 41.371 40.800 0.061 0.000 1.104 42 D HN 0.349 nan 8.370 nan 0.000 0.566 43 E N -0.919 119.250 120.200 -0.052 0.000 2.333 43 E HA -0.159 4.191 4.350 -0.000 0.000 0.200 43 E C 1.615 178.191 176.600 -0.039 0.000 1.010 43 E CA 1.731 58.106 56.400 -0.043 0.000 0.841 43 E CB -0.572 29.121 29.700 -0.011 0.000 0.757 43 E HN 0.747 nan 8.360 nan 0.000 0.508 44 T N -3.370 111.166 114.554 -0.031 0.000 3.107 44 T HA 0.287 4.637 4.350 -0.000 0.000 0.249 44 T C 1.419 176.100 174.700 -0.031 0.000 1.096 44 T CA 0.634 62.721 62.100 -0.020 0.000 1.012 44 T CB 0.382 69.249 68.868 -0.003 0.000 0.977 44 T HN 0.216 nan 8.240 nan 0.000 0.527 45 G N 1.076 109.838 108.800 -0.063 0.000 2.136 45 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 45 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 45 G C -0.147 174.719 174.900 -0.058 0.000 0.989 45 G CA 0.150 45.206 45.100 -0.072 0.000 0.682 45 G HN 0.685 nan 8.290 nan 0.000 0.522 46 K N -0.168 120.206 120.400 -0.042 0.000 2.166 46 K HA 0.654 4.974 4.320 -0.000 0.000 0.245 46 K C -0.225 176.378 176.600 0.005 0.000 0.967 46 K CA -0.497 55.785 56.287 -0.008 0.000 0.863 46 K CB 1.401 33.913 32.500 0.019 0.000 1.107 46 K HN 0.010 nan 8.250 nan 0.000 0.436 47 T N 3.897 118.477 114.554 0.043 0.000 3.254 47 T HA 0.208 4.558 4.350 -0.000 0.000 0.385 47 T C -2.038 172.759 174.700 0.161 0.000 1.528 47 T CA -1.286 60.884 62.100 0.118 0.000 1.212 47 T CB 0.158 69.074 68.868 0.081 0.000 1.145 47 T HN 0.465 nan 8.240 nan 0.000 0.631 48 P HA 0.336 nan 4.420 nan 0.000 0.275 48 P C -0.583 176.818 177.300 0.169 0.000 1.266 48 P CA -0.439 62.751 63.100 0.150 0.000 0.793 48 P CB 0.880 32.662 31.700 0.136 0.000 1.074 49 V N 1.605 121.597 119.914 0.131 0.000 2.407 49 V HA 0.154 4.274 4.120 -0.000 0.000 0.278 49 V C 0.960 177.119 176.094 0.110 0.000 1.037 49 V CA -0.745 61.630 62.300 0.125 0.000 0.900 49 V CB 0.762 32.648 31.823 0.105 0.000 0.983 49 V HN 0.376 nan 8.190 nan 0.000 0.459 50 L N 3.697 124.986 121.223 0.110 0.000 2.499 50 L HA 0.047 4.387 4.340 -0.000 0.000 0.281 50 L C 1.808 178.728 176.870 0.084 0.000 1.234 50 L CA 0.216 55.112 54.840 0.094 0.000 0.839 50 L CB 0.082 42.207 42.059 0.109 0.000 1.104 50 L HN 0.719 nan 8.230 nan 0.000 0.500 51 T N -0.264 114.330 114.554 0.068 0.000 2.821 51 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 51 T C 1.947 176.685 174.700 0.064 0.000 1.046 51 T CA 1.599 63.733 62.100 0.058 0.000 1.139 51 T CB -0.041 68.852 68.868 0.042 0.000 0.871 51 T HN 0.880 nan 8.240 nan 0.000 0.454 52 S N 1.364 117.113 115.700 0.081 0.000 2.370 52 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 52 S C 2.166 176.813 174.600 0.079 0.000 1.033 52 S CA 1.093 59.348 58.200 0.091 0.000 1.011 52 S CB -1.000 62.295 63.200 0.158 0.000 0.852 52 S HN 0.299 nan 8.310 nan 0.000 0.457 53 V N 2.343 122.316 119.914 0.098 0.000 2.295 53 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 53 V C 2.877 179.006 176.094 0.057 0.000 1.049 53 V CA 1.799 64.145 62.300 0.076 0.000 1.024 53 V CB -0.642 31.243 31.823 0.104 0.000 0.648 53 V HN 0.389 nan 8.190 nan 0.000 0.447 54 K N 0.342 120.782 120.400 0.068 0.000 2.063 54 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 54 K C 2.162 178.797 176.600 0.059 0.000 1.048 54 K CA 1.460 57.787 56.287 0.065 0.000 0.928 54 K CB -0.338 32.199 32.500 0.062 0.000 0.713 54 K HN 0.451 nan 8.250 nan 0.000 0.442 55 K N 0.191 120.623 120.400 0.052 0.000 2.057 55 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 55 K C 2.171 178.806 176.600 0.058 0.000 1.050 55 K CA 1.150 57.468 56.287 0.052 0.000 0.935 55 K CB -0.126 32.397 32.500 0.038 0.000 0.715 55 K HN 0.092 nan 8.250 nan 0.000 0.439 56 A N 1.654 124.492 122.820 0.031 0.000 1.933 56 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 56 A C 1.848 179.462 177.584 0.050 0.000 1.175 56 A CA 1.511 53.555 52.037 0.013 0.000 0.628 56 A CB -0.368 18.601 19.000 -0.051 0.000 0.814 56 A HN 0.299 nan 8.150 nan 0.000 0.444 57 E N -0.885 119.337 120.200 0.036 0.000 2.150 57 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 57 E C 2.187 178.842 176.600 0.090 0.000 0.985 57 E CA 1.179 57.615 56.400 0.061 0.000 0.814 57 E CB -0.115 29.654 29.700 0.114 0.000 0.752 57 E HN 0.831 nan 8.360 nan 0.000 0.466 58 Q N -0.058 119.795 119.800 0.089 0.000 2.119 58 Q HA -0.210 4.130 4.340 -0.000 0.000 0.201 58 Q C 1.921 177.973 176.000 0.087 0.000 0.972 58 Q CA 1.130 56.979 55.803 0.077 0.000 0.847 58 Q CB -0.115 28.667 28.738 0.072 0.000 0.903 58 Q HN 0.327 nan 8.270 nan 0.000 0.433 59 Y N 0.829 121.124 120.300 -0.008 0.000 2.114 59 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 59 Y C 1.747 177.636 175.900 -0.018 0.000 1.143 59 Y CA 1.800 59.891 58.100 -0.015 0.000 1.135 59 Y CB -0.233 38.212 38.460 -0.026 0.000 0.980 59 Y HN 0.097 nan 8.280 nan 0.000 0.499 60 L N -0.642 120.633 121.223 0.087 0.000 1.989 60 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 60 L C 2.476 179.317 176.870 -0.048 0.000 1.071 60 L CA 1.486 56.325 54.840 -0.002 0.000 0.749 60 L CB -0.977 41.094 42.059 0.020 0.000 0.890 60 L HN 0.336 nan 8.230 nan 0.000 0.431 61 L N -0.238 120.983 121.223 -0.003 0.000 2.079 61 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 61 L C 2.499 179.333 176.870 -0.059 0.000 1.081 61 L CA 1.824 56.658 54.840 -0.011 0.000 0.752 61 L CB -0.517 41.549 42.059 0.013 0.000 0.896 61 L HN 0.218 nan 8.230 nan 0.000 0.433 62 E N -0.589 119.550 120.200 -0.102 0.000 2.230 62 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 62 E C 1.314 177.795 176.600 -0.199 0.000 0.987 62 E CA 1.031 57.351 56.400 -0.135 0.000 0.841 62 E CB -0.023 29.596 29.700 -0.134 0.000 0.783 62 E HN 0.672 nan 8.360 nan 0.000 0.481 63 N N -0.059 118.462 118.700 -0.298 0.000 2.227 63 N HA 0.041 4.781 4.740 -0.000 0.000 0.196 63 N C 0.283 175.686 175.510 -0.178 0.000 1.142 63 N CA -0.058 52.810 53.050 -0.304 0.000 0.887 63 N CB 0.846 38.982 38.487 -0.584 0.000 1.022 63 N HN 0.048 nan 8.380 nan 0.000 0.500 67 T N 0.385 114.918 114.554 -0.035 0.000 2.853 67 T HA 0.567 4.917 4.350 -0.000 0.000 0.311 67 T C -1.404 173.269 174.700 -0.045 0.000 1.307 67 T CA -0.618 61.458 62.100 -0.039 0.000 1.019 67 T CB 1.835 70.683 68.868 -0.033 0.000 1.264 67 T HN -0.038 nan 8.240 nan 0.000 0.497 68 K N 2.243 122.604 120.400 -0.065 0.000 2.537 68 K HA 0.214 4.534 4.320 -0.000 0.000 0.206 68 K C 0.478 177.001 176.600 -0.128 0.000 1.041 68 K CA -0.300 55.938 56.287 -0.081 0.000 1.090 68 K CB -0.156 32.291 32.500 -0.089 0.000 0.833 68 K HN 0.611 nan 8.250 nan 0.000 0.493 69 N N 0.888 119.527 118.700 -0.102 0.000 2.407 69 N HA -0.084 4.656 4.740 -0.000 0.000 0.250 69 N C -0.552 174.923 175.510 -0.058 0.000 1.236 69 N CA -0.137 52.847 53.050 -0.110 0.000 0.879 69 N CB 0.334 38.804 38.487 -0.028 0.000 1.088 69 N HN -0.071 nan 8.380 nan 0.000 0.450 70 Y N 2.456 122.758 120.300 0.003 0.000 3.059 70 Y HA -0.188 4.362 4.550 -0.000 0.000 0.343 70 Y C 1.147 177.050 175.900 0.005 0.000 1.273 70 Y CA 0.124 58.228 58.100 0.006 0.000 1.572 70 Y CB 0.205 38.669 38.460 0.007 0.000 1.228 70 Y HN 0.568 nan 8.280 nan 0.000 0.610 71 L N 2.093 123.431 121.223 0.191 0.000 2.023 71 L HA 0.197 4.537 4.340 -0.000 0.000 0.205 71 L C 1.106 178.029 176.870 0.088 0.000 1.073 71 L CA 1.893 56.794 54.840 0.102 0.000 0.745 71 L CB -0.867 41.233 42.059 0.068 0.000 0.900 71 L HN 0.912 nan 8.230 nan 0.000 0.435 72 G N -2.293 106.557 108.800 0.082 0.000 2.801 72 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.648 72 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.648 72 G C 0.553 175.477 174.900 0.039 0.000 1.415 72 G CA -0.310 44.819 45.100 0.049 0.000 0.887 72 G HN 0.047 nan 8.290 nan 0.000 0.627 73 I N 0.477 121.044 120.570 -0.004 0.000 2.147 73 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 73 I C 2.390 178.516 176.117 0.015 0.000 1.059 73 I CA 2.372 63.652 61.300 -0.034 0.000 1.320 73 I CB -0.129 37.812 38.000 -0.098 0.000 1.021 73 I HN 0.730 nan 8.210 nan 0.000 0.415 74 D N 0.347 120.784 120.400 0.063 0.000 2.339 74 D HA 0.198 4.838 4.640 -0.000 0.000 0.217 74 D C 1.055 177.454 176.300 0.165 0.000 1.050 74 D CA 0.796 54.890 54.000 0.157 0.000 0.856 74 D CB -0.101 40.887 40.800 0.313 0.000 0.922 74 D HN 0.460 nan 8.370 nan 0.000 0.518 75 G N 0.959 109.823 108.800 0.107 0.000 2.632 75 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.224 75 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.224 75 G C -0.332 174.610 174.900 0.070 0.000 1.341 75 G CA -0.348 44.791 45.100 0.065 0.000 0.880 75 G HN 0.315 nan 8.290 nan 0.000 0.566 76 I N 2.409 122.997 120.570 0.030 0.000 2.587 76 I HA 0.122 4.291 4.170 -0.000 0.000 0.284 76 I C -0.875 175.320 176.117 0.130 0.000 1.134 76 I CA -1.187 60.147 61.300 0.057 0.000 1.410 76 I CB 1.142 39.149 38.000 0.011 0.000 1.392 76 I HN 0.303 nan 8.210 nan 0.000 0.545 77 P HA -0.195 nan 4.420 nan 0.000 0.214 77 P C 1.404 178.751 177.300 0.079 0.000 1.163 77 P CA 1.097 64.249 63.100 0.086 0.000 0.889 77 P CB 0.179 31.914 31.700 0.057 0.000 0.790 78 E N -1.315 118.923 120.200 0.063 0.000 2.070 78 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 78 E C 1.880 178.504 176.600 0.039 0.000 1.004 78 E CA 1.099 57.518 56.400 0.033 0.000 0.805 78 E CB -0.885 28.824 29.700 0.015 0.000 0.744 78 E HN 0.209 nan 8.360 nan 0.000 0.451 79 F N 0.973 120.879 119.950 -0.073 0.000 2.091 79 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 79 F C 2.210 177.987 175.800 -0.039 0.000 1.103 79 F CA 2.176 60.116 58.000 -0.099 0.000 1.228 79 F CB -0.682 38.257 39.000 -0.101 0.000 0.984 79 F HN 0.033 nan 8.300 nan 0.000 0.477 80 G N -0.580 108.281 108.800 0.102 0.000 2.422 80 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 80 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 80 G C 1.808 176.669 174.900 -0.066 0.000 1.146 80 G CA 1.437 46.545 45.100 0.013 0.000 0.769 80 G HN 0.584 nan 8.290 nan 0.000 0.547 81 R N -0.204 120.269 120.500 -0.044 0.000 2.073 81 R HA 0.012 4.352 4.340 -0.000 0.000 0.229 81 R C 2.532 178.790 176.300 -0.069 0.000 1.120 81 R CA 1.652 57.728 56.100 -0.040 0.000 0.967 81 R CB -1.551 28.736 30.300 -0.021 0.000 0.862 81 R HN 0.435 nan 8.270 nan 0.000 0.436 82 C N 0.047 119.274 119.300 -0.121 0.000 2.440 82 C HA -0.092 4.368 4.460 -0.000 0.000 0.278 82 C C 3.219 178.119 174.990 -0.149 0.000 1.295 82 C CA 1.613 60.549 59.018 -0.138 0.000 1.738 82 C CB -0.511 27.114 27.740 -0.190 0.000 1.987 82 C HN 0.778 nan 8.230 nan 0.000 0.492 83 T N -1.031 113.380 114.554 -0.239 0.000 2.951 83 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 83 T C 1.632 176.254 174.700 -0.131 0.000 1.073 83 T CA 1.361 63.362 62.100 -0.165 0.000 1.134 83 T CB -0.343 68.379 68.868 -0.244 0.000 0.884 83 T HN 0.667 nan 8.240 nan 0.000 0.479 84 Q N 0.407 120.157 119.800 -0.083 0.000 2.123 84 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 84 Q C 2.421 178.438 176.000 0.030 0.000 0.966 84 Q CA 1.493 57.299 55.803 0.005 0.000 0.845 84 Q CB -0.042 28.779 28.738 0.137 0.000 0.907 84 Q HN 0.731 nan 8.270 nan 0.000 0.439 85 E N 0.723 120.932 120.200 0.016 0.000 2.072 85 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 85 E C 2.048 178.654 176.600 0.010 0.000 0.985 85 E CA 0.617 57.037 56.400 0.034 0.000 0.801 85 E CB -0.021 29.691 29.700 0.019 0.000 0.750 85 E HN 0.291 nan 8.360 nan 0.000 0.452 86 L N 0.702 121.919 121.223 -0.011 0.000 2.083 86 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 86 L C 2.309 179.159 176.870 -0.033 0.000 1.083 86 L CA 0.900 55.750 54.840 0.017 0.000 0.752 86 L CB -0.075 42.021 42.059 0.062 0.000 0.899 86 L HN 0.187 nan 8.230 nan 0.000 0.433 87 L N -2.100 119.011 121.223 -0.188 0.000 2.095 87 L HA -0.124 4.216 4.340 -0.000 0.000 0.204 87 L C 1.969 178.523 176.870 -0.525 0.000 1.080 87 L CA 1.024 55.601 54.840 -0.439 0.000 0.759 87 L CB -0.235 41.306 42.059 -0.864 0.000 0.914 87 L HN 0.152 nan 8.230 nan 0.000 0.439 88 F N -0.559 119.366 119.950 -0.042 0.000 2.694 88 F HA 0.433 4.960 4.527 -0.000 0.000 0.292 88 F C 1.116 176.895 175.800 -0.036 0.000 1.121 88 F CA 0.072 58.037 58.000 -0.059 0.000 1.352 88 F CB -0.035 38.927 39.000 -0.063 0.000 1.107 88 F HN 0.014 nan 8.300 nan 0.000 0.597 89 G N 0.208 109.082 108.800 0.124 0.000 3.055 89 G HA2 0.222 4.182 3.960 -0.000 0.000 0.685 89 G HA3 0.222 4.182 3.960 -0.000 0.000 0.685 89 G C 0.578 175.520 174.900 0.070 0.000 1.212 89 G CA -0.262 44.885 45.100 0.078 0.000 0.822 89 G HN 0.321 nan 8.290 nan 0.000 0.610 90 K N 0.257 120.684 120.400 0.045 0.000 2.071 90 K HA 0.020 4.340 4.320 -0.000 0.000 0.217 90 K C 2.339 178.956 176.600 0.029 0.000 1.054 90 K CA 2.667 58.974 56.287 0.033 0.000 0.937 90 K CB -0.616 31.898 32.500 0.023 0.000 0.719 90 K HN 2.353 nan 8.250 nan 0.000 0.454 91 G N 0.586 109.401 108.800 0.025 0.000 4.294 91 G HA2 0.403 4.363 3.960 -0.000 0.000 0.301 91 G HA3 0.403 4.363 3.960 -0.000 0.000 0.301 91 G C -0.019 174.888 174.900 0.012 0.000 1.321 91 G CA 0.534 45.642 45.100 0.015 0.000 1.190 91 G HN 0.565 nan 8.290 nan 0.000 0.600 92 S N -0.117 115.596 115.700 0.022 0.000 2.580 92 S HA 0.502 4.972 4.470 -0.000 0.000 0.274 92 S C 1.755 176.333 174.600 -0.036 0.000 1.329 92 S CA 0.210 58.414 58.200 0.006 0.000 1.036 92 S CB 1.269 64.497 63.200 0.046 0.000 0.919 92 S HN 0.542 nan 8.310 nan 0.000 0.515 93 A N 4.426 127.211 122.820 -0.059 0.000 1.968 93 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 93 A C 2.025 179.541 177.584 -0.112 0.000 1.169 93 A CA 0.932 52.926 52.037 -0.071 0.000 0.638 93 A CB -0.686 18.275 19.000 -0.065 0.000 0.812 93 A HN 0.860 nan 8.150 nan 0.000 0.446 94 L N -0.564 120.545 121.223 -0.189 0.000 2.131 94 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 94 L C 2.380 179.133 176.870 -0.194 0.000 1.092 94 L CA 1.171 55.845 54.840 -0.278 0.000 0.759 94 L CB -0.564 41.128 42.059 -0.612 0.000 0.903 94 L HN 0.407 nan 8.230 nan 0.000 0.435 95 I N -0.297 120.196 120.570 -0.128 0.000 2.235 95 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 95 I C 2.042 178.128 176.117 -0.051 0.000 1.085 95 I CA 1.424 62.688 61.300 -0.061 0.000 1.378 95 I CB -0.452 37.545 38.000 -0.005 0.000 1.076 95 I HN 0.299 nan 8.210 nan 0.000 0.415 96 N N 0.861 119.534 118.700 -0.045 0.000 2.120 96 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 96 N C 0.761 176.246 175.510 -0.040 0.000 1.024 96 N CA 1.313 54.342 53.050 -0.035 0.000 0.852 96 N CB -0.089 38.381 38.487 -0.029 0.000 1.003 96 N HN 0.285 nan 8.380 nan 0.000 0.424 97 D N 0.188 120.556 120.400 -0.054 0.000 2.349 97 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 97 D C 0.533 176.799 176.300 -0.055 0.000 1.029 97 D CA 0.462 54.431 54.000 -0.052 0.000 0.879 97 D CB -0.188 40.577 40.800 -0.058 0.000 0.906 97 D HN 0.218 nan 8.370 nan 0.000 0.528 98 K N 0.672 121.034 120.400 -0.062 0.000 3.156 98 K HA -0.315 4.005 4.320 -0.000 0.000 0.266 98 K C 1.034 177.588 176.600 -0.076 0.000 0.966 98 K CA 1.219 57.467 56.287 -0.065 0.000 0.719 98 K CB -3.058 29.414 32.500 -0.046 0.000 1.333 98 K HN 0.462 nan 8.250 nan 0.000 0.468 99 R N -0.967 119.473 120.500 -0.100 0.000 2.317 99 R HA 0.386 4.726 4.340 -0.000 0.000 0.208 99 R C 1.003 177.233 176.300 -0.117 0.000 0.914 99 R CA 0.749 56.789 56.100 -0.099 0.000 1.060 99 R CB 0.639 30.872 30.300 -0.112 0.000 1.015 99 R HN 0.784 nan 8.270 nan 0.000 0.498 100 A N 1.210 123.949 122.820 -0.135 0.000 2.350 100 A HA 0.663 4.983 4.320 -0.000 0.000 0.324 100 A C -0.718 176.760 177.584 -0.177 0.000 1.118 100 A CA -0.804 51.158 52.037 -0.125 0.000 0.783 100 A CB 1.141 20.089 19.000 -0.087 0.000 1.236 100 A HN -0.026 nan 8.150 nan 0.000 0.457 101 R N 1.065 121.401 120.500 -0.272 0.000 2.561 101 R HA 0.678 5.018 4.340 -0.000 0.000 0.297 101 R C -1.243 174.784 176.300 -0.455 0.000 0.969 101 R CA -0.409 55.329 56.100 -0.603 0.000 0.879 101 R CB 1.619 31.158 30.300 -1.268 0.000 1.178 101 R HN 0.694 nan 8.270 nan 0.000 0.445 102 T N 1.103 115.472 114.554 -0.309 0.000 2.824 102 T HA 0.674 5.024 4.350 -0.000 0.000 0.282 102 T C -0.623 174.211 174.700 0.223 0.000 0.993 102 T CA -0.598 61.504 62.100 0.004 0.000 0.967 102 T CB 1.913 70.802 68.868 0.037 0.000 0.960 102 T HN 0.596 nan 8.240 nan 0.000 0.441 103 A N 2.922 125.961 122.820 0.366 0.000 2.318 103 A HA 0.619 4.939 4.320 -0.000 0.000 0.324 103 A C -0.012 177.763 177.584 0.318 0.000 1.170 103 A CA -0.746 51.526 52.037 0.391 0.000 0.810 103 A CB 0.912 20.112 19.000 0.334 0.000 1.198 103 A HN 0.778 nan 8.150 nan 0.000 0.484 104 Q N 1.561 121.539 119.800 0.296 0.000 2.304 104 Q HA 0.423 4.763 4.340 -0.000 0.000 0.260 104 Q C -0.111 175.979 176.000 0.150 0.000 0.965 104 Q CA 0.261 56.201 55.803 0.228 0.000 0.898 104 Q CB 0.514 29.224 28.738 -0.046 0.000 1.196 104 Q HN 0.837 nan 8.270 nan 0.000 0.402 105 T N 0.775 115.401 114.554 0.120 0.000 2.916 105 T HA 0.593 4.943 4.350 -0.000 0.000 0.292 105 T C -2.697 171.950 174.700 -0.089 0.000 1.064 105 T CA -2.104 60.029 62.100 0.055 0.000 1.011 105 T CB 1.828 70.767 68.868 0.118 0.000 1.152 105 T HN 0.472 nan 8.240 nan 0.000 0.510 106 P HA 0.408 nan 4.420 nan 0.000 0.252 106 P C 0.700 177.935 177.300 -0.108 0.000 1.727 106 P CA 0.612 63.574 63.100 -0.231 0.000 1.134 106 P CB -0.429 31.029 31.700 -0.403 0.000 1.876 107 G N 2.810 111.581 108.800 -0.048 0.000 2.795 107 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.664 107 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.664 107 G C 0.886 175.779 174.900 -0.011 0.000 1.381 107 G CA -0.495 44.595 45.100 -0.017 0.000 0.853 107 G HN 0.436 nan 8.290 nan 0.000 0.545 108 G N -1.252 107.521 108.800 -0.044 0.000 2.422 108 G HA2 0.082 4.042 3.960 -0.000 0.000 0.218 108 G HA3 0.082 4.042 3.960 -0.000 0.000 0.218 108 G C 1.860 176.756 174.900 -0.005 0.000 1.140 108 G CA 2.340 47.407 45.100 -0.056 0.000 0.775 108 G HN 1.254 nan 8.290 nan 0.000 0.545 109 T N 1.070 115.636 114.554 0.020 0.000 2.684 109 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 109 T C 2.506 177.247 174.700 0.068 0.000 1.036 109 T CA 1.506 63.675 62.100 0.115 0.000 1.148 109 T CB -0.588 68.387 68.868 0.179 0.000 0.863 109 T HN 0.348 nan 8.240 nan 0.000 0.436 110 G N 1.079 109.899 108.800 0.034 0.000 2.418 110 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.217 110 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.217 110 G C 1.838 176.790 174.900 0.086 0.000 1.158 110 G CA 0.917 46.038 45.100 0.035 0.000 0.771 110 G HN 0.589 nan 8.290 nan 0.000 0.545 111 A N 0.507 123.373 122.820 0.078 0.000 1.933 111 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 111 A C 2.437 180.090 177.584 0.114 0.000 1.175 111 A CA 1.298 53.400 52.037 0.107 0.000 0.628 111 A CB -0.369 18.686 19.000 0.092 0.000 0.814 111 A HN 0.368 nan 8.150 nan 0.000 0.444 112 L N -1.368 119.909 121.223 0.090 0.000 2.056 112 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 112 L C 2.761 179.639 176.870 0.014 0.000 1.078 112 L CA 1.524 56.404 54.840 0.065 0.000 0.749 112 L CB -0.401 41.674 42.059 0.027 0.000 0.901 112 L HN 0.332 nan 8.230 nan 0.000 0.433 113 R N 0.664 121.173 120.500 0.015 0.000 2.075 113 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 113 R C 2.155 178.516 176.300 0.102 0.000 1.126 113 R CA 2.088 58.202 56.100 0.023 0.000 0.963 113 R CB -0.998 29.325 30.300 0.038 0.000 0.858 113 R HN 0.368 nan 8.270 nan 0.000 0.435 114 V N -1.343 118.654 119.914 0.139 0.000 2.343 114 V HA -0.055 4.065 4.120 -0.000 0.000 0.247 114 V C 2.186 178.403 176.094 0.206 0.000 1.051 114 V CA 1.803 64.197 62.300 0.157 0.000 1.036 114 V CB -1.415 30.500 31.823 0.153 0.000 0.654 114 V HN 0.297 nan 8.190 nan 0.000 0.451 115 A N 0.828 123.777 122.820 0.215 0.000 1.902 115 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 115 A C 2.525 180.332 177.584 0.371 0.000 1.181 115 A CA 2.584 54.801 52.037 0.301 0.000 0.623 115 A CB -1.154 18.014 19.000 0.279 0.000 0.818 115 A HN 1.004 nan 8.150 nan 0.000 0.443 116 A N -0.026 122.980 122.820 0.311 0.000 1.877 116 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 116 A C 1.809 179.526 177.584 0.222 0.000 1.186 116 A CA 1.904 54.135 52.037 0.323 0.000 0.620 116 A CB -0.587 18.559 19.000 0.243 0.000 0.822 116 A HN 0.457 nan 8.150 nan 0.000 0.443 117 D N -1.064 119.446 120.400 0.182 0.000 2.117 117 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 117 D C 1.636 178.026 176.300 0.149 0.000 0.982 117 D CA 1.327 55.408 54.000 0.134 0.000 0.828 117 D CB -0.502 40.364 40.800 0.108 0.000 0.967 117 D HN 0.470 nan 8.370 nan 0.000 0.464 118 F N 1.534 121.526 119.950 0.069 0.000 2.095 118 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 118 F C 2.050 177.895 175.800 0.074 0.000 1.104 118 F CA 1.298 59.336 58.000 0.063 0.000 1.232 118 F CB -0.417 38.630 39.000 0.079 0.000 0.987 118 F HN -0.109 nan 8.300 nan 0.000 0.475 119 L N 0.034 121.227 121.223 -0.051 0.000 2.027 119 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 119 L C 2.858 179.659 176.870 -0.115 0.000 1.074 119 L CA 1.200 55.949 54.840 -0.152 0.000 0.745 119 L CB -1.258 40.852 42.059 0.085 0.000 0.898 119 L HN 0.265 nan 8.230 nan 0.000 0.433 120 A N -0.025 122.784 122.820 -0.019 0.000 1.969 120 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 120 A C 2.223 179.782 177.584 -0.042 0.000 1.169 120 A CA 1.542 53.573 52.037 -0.011 0.000 0.635 120 A CB -0.245 18.774 19.000 0.032 0.000 0.810 120 A HN 0.340 nan 8.150 nan 0.000 0.445 121 K N -0.835 119.528 120.400 -0.063 0.000 2.379 121 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 121 K C 0.421 176.959 176.600 -0.104 0.000 1.031 121 K CA 0.493 56.743 56.287 -0.062 0.000 1.037 121 K CB 0.229 32.711 32.500 -0.031 0.000 0.824 121 K HN 0.393 nan 8.250 nan 0.000 0.516 122 N N 0.331 118.910 118.700 -0.202 0.000 2.143 122 N HA 0.003 4.742 4.740 -0.000 0.000 0.222 122 N C 0.136 175.523 175.510 -0.204 0.000 1.264 122 N CA 0.351 53.266 53.050 -0.224 0.000 0.897 122 N CB 1.462 39.734 38.487 -0.358 0.000 1.092 122 N HN 0.165 nan 8.380 nan 0.000 0.516 123 T N -2.268 112.177 114.554 -0.181 0.000 2.693 123 T HA 0.324 4.674 4.350 -0.000 0.000 0.278 123 T C 0.946 175.615 174.700 -0.052 0.000 0.994 123 T CA -0.401 61.634 62.100 -0.107 0.000 1.033 123 T CB 1.367 70.169 68.868 -0.109 0.000 1.342 123 T HN -0.087 nan 8.240 nan 0.000 0.538 124 S N -0.732 114.958 115.700 -0.017 0.000 2.535 124 S HA 0.244 4.714 4.470 -0.000 0.000 0.214 124 S C 0.706 175.314 174.600 0.014 0.000 0.980 124 S CA -0.381 57.820 58.200 0.002 0.000 0.907 124 S CB -0.529 62.681 63.200 0.017 0.000 0.790 124 S HN 0.684 nan 8.310 nan 0.000 0.510 125 V N 2.796 122.719 119.914 0.015 0.000 2.726 125 V HA 0.312 4.432 4.120 -0.000 0.000 0.304 125 V C 0.814 176.917 176.094 0.015 0.000 1.115 125 V CA 1.064 63.380 62.300 0.028 0.000 1.264 125 V CB -1.072 30.767 31.823 0.027 0.000 0.867 125 V HN 0.779 nan 8.190 nan 0.000 0.498 134 W N 3.448 124.580 121.300 -0.280 0.000 2.361 134 W HA 0.762 5.422 4.660 -0.000 0.000 0.309 134 W C -0.295 176.108 176.519 -0.194 0.000 1.122 134 W CA -0.504 56.735 57.345 -0.177 0.000 1.208 134 W CB 1.720 31.092 29.460 -0.146 0.000 1.246 134 W HN 0.370 nan 8.180 nan 0.000 0.490 135 V N 3.381 123.234 119.914 -0.102 0.000 2.680 135 V HA 0.370 4.490 4.120 -0.000 0.000 0.309 135 V C 0.244 175.905 176.094 -0.721 0.000 1.052 135 V CA -1.260 60.870 62.300 -0.285 0.000 0.908 135 V CB 1.763 33.500 31.823 -0.143 0.000 1.001 135 V HN 0.571 nan 8.190 nan 0.000 0.431 136 S N 2.894 118.051 115.700 -0.905 0.000 2.566 136 S HA 0.143 4.613 4.470 -0.000 0.000 0.280 136 S C -0.178 174.179 174.600 -0.406 0.000 1.343 136 S CA -0.142 57.441 58.200 -1.029 0.000 1.036 136 S CB 0.188 63.034 63.200 -0.589 0.000 0.866 136 S HN 0.870 nan 8.310 nan 0.000 0.526 137 N N 2.609 121.167 118.700 -0.237 0.000 2.483 137 N HA 0.509 5.249 4.740 -0.000 0.000 0.267 137 N C -2.444 173.119 175.510 0.088 0.000 0.998 137 N CA -1.871 51.158 53.050 -0.034 0.000 0.918 137 N CB 1.619 40.112 38.487 0.010 0.000 1.215 137 N HN 0.478 nan 8.380 nan 0.000 0.500 138 P HA 0.342 nan 4.420 nan 0.000 0.289 138 P C -0.783 176.519 177.300 0.004 0.000 1.299 138 P CA -0.383 62.737 63.100 0.034 0.000 0.766 138 P CB 1.374 33.090 31.700 0.027 0.000 1.226 139 S N -2.322 113.386 115.700 0.012 0.000 2.636 139 S HA 0.298 4.768 4.470 -0.000 0.000 0.266 139 S C -2.047 172.627 174.600 0.125 0.000 1.147 139 S CA -0.723 57.526 58.200 0.081 0.000 0.815 139 S CB -0.184 63.160 63.200 0.240 0.000 1.119 139 S HN 0.448 nan 8.310 nan 0.000 0.470 140 W N 3.847 125.114 121.300 -0.056 0.000 2.417 140 W HA 0.320 4.980 4.660 -0.000 0.000 0.332 140 W C -2.206 174.196 176.519 -0.194 0.000 1.413 140 W CA -1.128 56.077 57.345 -0.234 0.000 1.299 140 W CB 0.146 29.310 29.460 -0.492 0.000 1.304 140 W HN 0.557 nan 8.180 nan 0.000 0.565 141 P HA -0.292 nan 4.420 nan 0.000 0.217 141 P C 1.337 178.298 177.300 -0.565 0.000 1.151 141 P CA 2.082 64.956 63.100 -0.376 0.000 0.849 141 P CB 0.231 31.740 31.700 -0.319 0.000 0.787 142 N N -1.717 116.269 118.700 -1.190 0.000 2.453 142 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 142 N C 1.500 176.622 175.510 -0.646 0.000 1.041 142 N CA 0.826 53.189 53.050 -1.145 0.000 0.900 142 N CB -0.605 36.693 38.487 -1.981 0.000 0.961 142 N HN 0.317 nan 8.380 nan 0.000 0.443 143 H N -0.309 118.548 119.070 -0.355 0.000 2.319 143 H HA -0.135 4.421 4.556 -0.000 0.000 0.297 143 H C 1.983 177.328 175.328 0.027 0.000 1.097 143 H CA 1.516 57.559 56.048 -0.008 0.000 1.285 143 H CB 0.159 30.045 29.762 0.207 0.000 1.368 143 H HN 0.176 nan 8.280 nan 0.000 0.495 144 K N 0.458 120.924 120.400 0.111 0.000 2.057 144 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 144 K C 2.278 178.882 176.600 0.007 0.000 1.050 144 K CA 1.488 57.823 56.287 0.080 0.000 0.935 144 K CB 0.099 32.601 32.500 0.003 0.000 0.715 144 K HN 0.122 nan 8.250 nan 0.000 0.439 145 S N 0.474 116.115 115.700 -0.098 0.000 2.368 145 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 145 S C 1.965 176.493 174.600 -0.120 0.000 1.029 145 S CA 1.277 59.407 58.200 -0.118 0.000 0.988 145 S CB -0.149 62.944 63.200 -0.178 0.000 0.838 145 S HN 0.122 nan 8.310 nan 0.000 0.462 146 V N 1.185 120.978 119.914 -0.202 0.000 2.295 146 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 146 V C 1.979 177.920 176.094 -0.255 0.000 1.049 146 V CA 1.739 63.875 62.300 -0.274 0.000 1.024 146 V CB -0.842 30.721 31.823 -0.433 0.000 0.648 146 V HN 0.382 nan 8.190 nan 0.000 0.447 147 F N 0.645 120.606 119.950 0.018 0.000 2.163 147 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 147 F C 2.352 178.144 175.800 -0.013 0.000 1.094 147 F CA 1.121 59.125 58.000 0.007 0.000 1.290 147 F CB -0.944 38.050 39.000 -0.009 0.000 1.017 147 F HN 0.166 nan 8.300 nan 0.000 0.483 148 N N -0.123 118.652 118.700 0.124 0.000 2.223 148 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 148 N C 1.934 177.462 175.510 0.030 0.000 1.016 148 N CA 1.300 54.383 53.050 0.054 0.000 0.863 148 N CB -0.542 37.955 38.487 0.015 0.000 0.983 148 N HN 0.121 nan 8.380 nan 0.000 0.429 149 S N 0.340 116.047 115.700 0.012 0.000 2.402 149 S HA 0.002 4.472 4.470 -0.000 0.000 0.229 149 S C 1.728 176.340 174.600 0.021 0.000 1.021 149 S CA 0.906 59.107 58.200 0.002 0.000 0.974 149 S CB -0.078 63.110 63.200 -0.021 0.000 0.800 149 S HN 0.483 nan 8.310 nan 0.000 0.484 150 A N 0.241 123.088 122.820 0.044 0.000 2.259 150 A HA 0.509 4.829 4.320 -0.000 0.000 0.208 150 A C 1.578 179.197 177.584 0.058 0.000 1.201 150 A CA 0.677 52.751 52.037 0.061 0.000 0.824 150 A CB -0.815 18.246 19.000 0.101 0.000 0.838 150 A HN 0.799 nan 8.150 nan 0.000 0.485 151 G N -1.590 107.238 108.800 0.047 0.000 2.159 151 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.256 151 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.256 151 G C 0.112 175.031 174.900 0.033 0.000 0.977 151 G CA 0.368 45.487 45.100 0.032 0.000 0.652 151 G HN 0.289 nan 8.290 nan 0.000 0.531 155 V N 4.028 123.834 119.914 -0.181 0.000 2.417 155 V HA 0.621 4.741 4.120 -0.000 0.000 0.291 155 V C -0.287 175.591 176.094 -0.360 0.000 1.024 155 V CA -0.735 61.418 62.300 -0.245 0.000 0.861 155 V CB 1.560 33.319 31.823 -0.106 0.000 0.985 155 V HN 0.491 nan 8.190 nan 0.000 0.436 156 R N 2.910 123.060 120.500 -0.584 0.000 2.670 156 R HA 0.600 4.940 4.340 -0.000 0.000 0.289 156 R C -0.601 175.459 176.300 -0.400 0.000 0.965 156 R CA -0.667 54.982 56.100 -0.751 0.000 0.899 156 R CB 2.156 31.325 30.300 -1.885 0.000 1.173 156 R HN 0.727 nan 8.270 nan 0.000 0.456 157 E N 2.345 122.444 120.200 -0.169 0.000 2.179 157 E HA 0.282 4.632 4.350 -0.000 0.000 0.275 157 E C -0.895 175.836 176.600 0.218 0.000 0.945 157 E CA -0.749 55.635 56.400 -0.027 0.000 0.792 157 E CB 1.668 31.338 29.700 -0.050 0.000 1.125 157 E HN 0.414 nan 8.360 nan 0.000 0.397 158 Y N 0.010 120.446 120.300 0.226 0.000 2.409 158 Y HA 0.705 5.255 4.550 -0.000 0.000 0.339 158 Y C -0.074 175.923 175.900 0.162 0.000 1.033 158 Y CA -1.603 56.617 58.100 0.200 0.000 1.094 158 Y CB 0.629 39.163 38.460 0.124 0.000 1.210 158 Y HN 0.507 nan 8.280 nan 0.000 0.456 159 A N 2.503 125.533 122.820 0.350 0.000 2.507 159 A HA 0.260 4.580 4.320 -0.000 0.000 0.235 159 A C -0.481 177.354 177.584 0.419 0.000 1.070 159 A CA 0.838 53.041 52.037 0.278 0.000 0.768 159 A CB -0.225 18.884 19.000 0.181 0.000 1.011 159 A HN 1.128 nan 8.150 nan 0.000 0.502 160 Y N -0.348 120.047 120.300 0.159 0.000 3.032 160 Y HA 0.182 4.732 4.550 -0.000 0.000 0.232 160 Y C -0.439 175.541 175.900 0.134 0.000 1.107 160 Y CA 0.030 58.217 58.100 0.145 0.000 1.355 160 Y CB 0.126 38.632 38.460 0.077 0.000 1.413 160 Y HN 0.669 nan 8.280 nan 0.000 0.447 161 Y N 3.084 123.449 120.300 0.108 0.000 2.320 161 Y HA 0.425 4.975 4.550 -0.000 0.000 0.334 161 Y C -0.638 175.281 175.900 0.031 0.000 1.055 161 Y CA -1.350 56.769 58.100 0.033 0.000 1.143 161 Y CB 0.820 39.360 38.460 0.135 0.000 1.193 161 Y HN 0.097 nan 8.280 nan 0.000 0.477 162 D N 4.961 125.055 120.400 -0.511 0.000 2.456 162 D HA 0.265 4.905 4.640 -0.000 0.000 0.219 162 D C 0.557 176.330 176.300 -0.879 0.000 1.126 162 D CA 0.205 53.909 54.000 -0.494 0.000 0.890 162 D CB 1.161 41.765 40.800 -0.328 0.000 1.025 162 D HN 0.801 nan 8.370 nan 0.000 0.511 163 A N 3.249 125.677 122.820 -0.653 0.000 2.121 163 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 163 A C 1.905 179.164 177.584 -0.542 0.000 1.154 163 A CA 1.885 53.624 52.037 -0.495 0.000 0.679 163 A CB -0.323 18.627 19.000 -0.083 0.000 0.795 163 A HN 0.594 nan 8.150 nan 0.000 0.458 164 E N 0.642 120.555 120.200 -0.478 0.000 2.021 164 E HA -0.142 4.208 4.350 -0.000 0.000 0.189 164 E C 1.528 177.749 176.600 -0.631 0.000 0.980 164 E CA 1.165 57.285 56.400 -0.466 0.000 0.803 164 E CB -1.058 28.477 29.700 -0.276 0.000 0.766 164 E HN 0.871 nan 8.360 nan 0.000 0.449 165 N N -0.379 118.039 118.700 -0.470 0.000 2.398 165 N HA 0.096 4.836 4.740 -0.000 0.000 0.188 165 N C -0.712 174.615 175.510 -0.305 0.000 1.122 165 N CA 0.323 53.165 53.050 -0.346 0.000 0.866 165 N CB 0.043 38.414 38.487 -0.194 0.000 0.970 165 N HN 0.564 nan 8.380 nan 0.000 0.462 166 H N -0.318 118.533 119.070 -0.365 0.000 2.626 166 H HA -0.172 4.384 4.556 -0.000 0.000 0.317 166 H C -0.116 175.168 175.328 -0.074 0.000 1.140 166 H CA 0.616 56.474 56.048 -0.317 0.000 1.134 166 H CB -1.220 28.296 29.762 -0.411 0.000 1.486 166 H HN 0.124 nan 8.280 nan 0.000 0.417 167 T N -0.736 113.747 114.554 -0.118 0.000 2.778 167 T HA 0.514 4.864 4.350 -0.000 0.000 0.293 167 T C -0.715 173.939 174.700 -0.077 0.000 1.144 167 T CA -0.910 61.182 62.100 -0.013 0.000 1.010 167 T CB 1.514 70.357 68.868 -0.042 0.000 1.325 167 T HN 0.259 nan 8.240 nan 0.000 0.515 168 L N 2.395 123.556 121.223 -0.103 0.000 2.313 168 L HA 0.389 4.729 4.340 -0.000 0.000 0.282 168 L C -0.307 176.470 176.870 -0.155 0.000 1.092 168 L CA -0.314 54.382 54.840 -0.241 0.000 0.831 168 L CB 0.610 42.452 42.059 -0.362 0.000 1.159 168 L HN 0.626 nan 8.230 nan 0.000 0.442 169 D N 4.431 124.749 120.400 -0.137 0.000 2.558 169 D HA -0.049 4.591 4.640 -0.000 0.000 0.221 169 D C 0.923 177.244 176.300 0.034 0.000 1.143 169 D CA -0.074 53.899 54.000 -0.046 0.000 1.010 169 D CB 0.221 40.995 40.800 -0.044 0.000 1.068 169 D HN 0.484 nan 8.370 nan 0.000 0.511 170 F N 1.940 121.816 119.950 -0.124 0.000 2.202 170 F HA -0.201 4.326 4.527 -0.000 0.000 0.301 170 F C 1.643 177.416 175.800 -0.044 0.000 1.082 170 F CA 1.298 59.243 58.000 -0.092 0.000 1.313 170 F CB 0.258 39.204 39.000 -0.089 0.000 1.024 170 F HN 0.278 nan 8.300 nan 0.000 0.495 171 D N -0.097 120.308 120.400 0.008 0.000 2.097 171 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 171 D C 2.394 178.646 176.300 -0.080 0.000 0.984 171 D CA 1.485 55.442 54.000 -0.072 0.000 0.826 171 D CB -0.607 40.182 40.800 -0.018 0.000 0.973 171 D HN 0.333 nan 8.370 nan 0.000 0.460 172 A N 1.024 123.826 122.820 -0.030 0.000 1.969 172 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 172 A C 2.266 179.856 177.584 0.011 0.000 1.169 172 A CA 0.651 52.688 52.037 -0.001 0.000 0.635 172 A CB -0.690 18.325 19.000 0.025 0.000 0.810 172 A HN 0.247 nan 8.150 nan 0.000 0.445 173 L N -0.463 120.759 121.223 -0.002 0.000 1.994 173 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 173 L C 2.368 179.174 176.870 -0.107 0.000 1.071 173 L CA 1.624 56.479 54.840 0.025 0.000 0.745 173 L CB -0.243 41.853 42.059 0.062 0.000 0.892 173 L HN 0.410 nan 8.230 nan 0.000 0.431 174 I N 0.085 120.510 120.570 -0.242 0.000 2.315 174 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 174 I C 2.085 178.131 176.117 -0.119 0.000 1.117 174 I CA 0.960 62.118 61.300 -0.237 0.000 1.404 174 I CB -0.469 37.294 38.000 -0.395 0.000 1.071 174 I HN 0.400 nan 8.210 nan 0.000 0.419 175 N N 0.392 119.036 118.700 -0.093 0.000 2.216 175 N HA -0.097 4.642 4.740 -0.000 0.000 0.183 175 N C 2.010 177.506 175.510 -0.024 0.000 1.017 175 N CA 1.225 54.248 53.050 -0.046 0.000 0.861 175 N CB -0.109 38.360 38.487 -0.030 0.000 0.986 175 N HN 0.216 nan 8.380 nan 0.000 0.428 176 S N 1.222 116.917 115.700 -0.008 0.000 2.368 176 S HA 0.058 4.528 4.470 -0.000 0.000 0.224 176 S C 1.997 176.541 174.600 -0.094 0.000 1.029 176 S CA 0.537 58.754 58.200 0.029 0.000 0.988 176 S CB -0.119 63.160 63.200 0.133 0.000 0.838 176 S HN 0.264 nan 8.310 nan 0.000 0.462 177 L N 1.842 122.952 121.223 -0.189 0.000 2.551 177 L HA 0.045 4.385 4.340 -0.000 0.000 0.228 177 L C 1.640 178.411 176.870 -0.165 0.000 1.153 177 L CA 0.336 54.932 54.840 -0.406 0.000 0.851 177 L CB -0.455 41.333 42.059 -0.452 0.000 0.959 177 L HN 0.269 nan 8.230 nan 0.000 0.451 178 N N 0.364 119.032 118.700 -0.052 0.000 2.573 178 N HA -0.186 4.554 4.740 -0.000 0.000 0.187 178 N C 1.472 176.979 175.510 -0.005 0.000 1.107 178 N CA 0.798 53.858 53.050 0.017 0.000 0.918 178 N CB 0.196 38.682 38.487 -0.001 0.000 0.966 178 N HN 0.481 nan 8.380 nan 0.000 0.448 179 E N 0.108 120.253 120.200 -0.091 0.000 2.479 179 E HA 0.158 4.508 4.350 -0.000 0.000 0.193 179 E C -0.256 176.308 176.600 -0.061 0.000 1.049 179 E CA -0.278 56.112 56.400 -0.016 0.000 0.870 179 E CB 0.295 30.053 29.700 0.096 0.000 0.944 179 E HN 0.127 nan 8.360 nan 0.000 0.492 180 A N 1.785 124.388 122.820 -0.362 0.000 2.376 180 A HA 0.194 4.514 4.320 -0.000 0.000 0.298 180 A C -0.078 177.641 177.584 0.226 0.000 1.271 180 A CA -0.394 51.404 52.037 -0.399 0.000 0.926 180 A CB 0.257 18.448 19.000 -1.349 0.000 1.141 180 A HN 0.252 nan 8.150 nan 0.000 0.539 181 Q N 1.023 120.987 119.800 0.272 0.000 2.535 181 Q HA 0.418 4.758 4.340 -0.000 0.000 0.228 181 Q C 0.651 176.834 176.000 0.305 0.000 1.062 181 Q CA 0.127 56.078 55.803 0.247 0.000 0.967 181 Q CB 0.545 29.404 28.738 0.201 0.000 1.273 181 Q HN 0.872 nan 8.270 nan 0.000 0.554 182 A N 0.108 123.043 122.820 0.191 0.000 2.386 182 A HA 0.459 4.779 4.320 -0.000 0.000 0.248 182 A C 1.091 178.792 177.584 0.195 0.000 1.082 182 A CA 0.498 52.639 52.037 0.173 0.000 0.789 182 A CB -0.400 18.642 19.000 0.069 0.000 1.025 182 A HN 0.946 nan 8.150 nan 0.000 0.490 183 G N 1.067 109.994 108.800 0.210 0.000 2.225 183 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.254 183 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.254 183 G C 0.017 175.038 174.900 0.201 0.000 0.988 183 G CA 0.453 45.659 45.100 0.176 0.000 0.625 183 G HN 0.828 nan 8.290 nan 0.000 0.527 184 D N 0.106 120.669 120.400 0.271 0.000 2.339 184 D HA 0.532 5.172 4.640 -0.000 0.000 0.245 184 D C 0.516 176.953 176.300 0.229 0.000 1.115 184 D CA -0.112 54.049 54.000 0.268 0.000 0.917 184 D CB 1.742 42.775 40.800 0.388 0.000 1.192 184 D HN 0.156 nan 8.370 nan 0.000 0.428 185 V N 1.742 121.749 119.914 0.154 0.000 2.472 185 V HA 0.362 4.482 4.120 -0.000 0.000 0.290 185 V C -0.019 176.075 176.094 0.000 0.000 1.037 185 V CA -0.623 61.719 62.300 0.070 0.000 0.908 185 V CB 1.858 33.667 31.823 -0.022 0.000 0.985 185 V HN 0.225 nan 8.190 nan 0.000 0.454 186 V N 5.832 125.678 119.914 -0.114 0.000 2.407 186 V HA 0.382 4.502 4.120 -0.000 0.000 0.291 186 V C -0.449 175.347 176.094 -0.497 0.000 1.018 186 V CA -0.649 61.440 62.300 -0.352 0.000 0.842 186 V CB 1.647 33.049 31.823 -0.701 0.000 0.996 186 V HN 0.653 nan 8.190 nan 0.000 0.426 187 L N 6.103 127.061 121.223 -0.442 0.000 2.290 187 L HA 0.656 4.996 4.340 -0.000 0.000 0.284 187 L C -1.113 175.443 176.870 -0.522 0.000 1.078 187 L CA 0.316 54.915 54.840 -0.402 0.000 0.815 187 L CB 0.343 42.219 42.059 -0.305 0.000 1.162 187 L HN 0.419 nan 8.230 nan 0.000 0.435 188 F N 3.436 123.250 119.950 -0.226 0.000 2.540 188 F HA 0.452 4.979 4.527 -0.000 0.000 0.317 188 F C 0.241 176.023 175.800 -0.031 0.000 1.104 188 F CA -0.601 57.286 58.000 -0.189 0.000 0.913 188 F CB 1.320 39.847 39.000 -0.788 0.000 1.170 188 F HN 0.458 nan 8.300 nan 0.000 0.450 189 H N 1.693 120.941 119.070 0.297 0.000 2.620 189 H HA 0.169 4.725 4.556 -0.000 0.000 0.313 189 H C 1.031 176.652 175.328 0.489 0.000 1.075 189 H CA 0.070 56.327 56.048 0.347 0.000 1.397 189 H CB 1.552 31.513 29.762 0.332 0.000 1.446 189 H HN 0.963 nan 8.280 nan 0.000 0.493 190 G N 2.902 112.065 108.800 0.606 0.000 2.469 190 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 190 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 190 G C 0.519 175.820 174.900 0.667 0.000 1.150 190 G CA 1.199 46.591 45.100 0.487 0.000 0.763 190 G HN 0.807 nan 8.290 nan 0.000 0.561 191 C N -5.376 114.373 119.300 0.749 0.000 3.253 191 C HA 0.487 4.947 4.460 -0.000 0.000 0.342 191 C C 0.203 175.492 174.990 0.498 0.000 1.306 191 C CA -1.035 58.348 59.018 0.608 0.000 1.207 191 C CB 0.512 28.587 27.740 0.558 0.000 1.479 191 C HN 0.971 nan 8.230 nan 0.000 0.469 192 C N 2.501 122.015 119.300 0.355 0.000 3.873 192 C HA -0.112 4.348 4.460 -0.000 0.000 0.302 192 C C 0.530 175.646 174.990 0.211 0.000 1.266 192 C CA 1.119 60.247 59.018 0.183 0.000 2.185 192 C CB -3.252 24.482 27.740 -0.010 0.000 1.380 192 C HN 1.300 nan 8.230 nan 0.000 0.623 193 H N 1.846 121.024 119.070 0.181 0.000 3.064 193 H HA 0.095 4.651 4.556 -0.000 0.000 0.329 193 H C 0.426 175.781 175.328 0.044 0.000 1.020 193 H CA 1.276 57.368 56.048 0.074 0.000 1.402 193 H CB 0.559 30.284 29.762 -0.062 0.000 1.379 193 H HN 0.713 nan 8.280 nan 0.000 0.594 194 N N 6.326 124.818 118.700 -0.347 0.000 2.417 194 N HA 0.161 4.901 4.740 -0.000 0.000 0.274 194 N C -2.162 173.078 175.510 -0.450 0.000 0.987 194 N CA -2.271 50.654 53.050 -0.209 0.000 0.912 194 N CB 1.791 40.295 38.487 0.029 0.000 1.177 194 N HN 0.393 nan 8.380 nan 0.000 0.490 195 P HA 0.073 nan 4.420 nan 0.000 0.261 195 P C 0.858 177.923 177.300 -0.392 0.000 1.268 195 P CA 0.408 63.278 63.100 -0.384 0.000 0.833 195 P CB 0.257 31.740 31.700 -0.361 0.000 1.231 196 T N -3.756 110.579 114.554 -0.365 0.000 2.867 196 T HA 0.077 4.427 4.350 -0.000 0.000 0.268 196 T C 1.807 176.512 174.700 0.008 0.000 1.057 196 T CA 1.517 63.378 62.100 -0.399 0.000 1.136 196 T CB -1.381 67.207 68.868 -0.466 0.000 0.874 196 T HN 0.196 nan 8.240 nan 0.000 0.466 197 G N 1.284 110.174 108.800 0.149 0.000 2.184 197 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.264 197 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.264 197 G C 0.096 175.108 174.900 0.187 0.000 0.975 197 G CA 0.286 45.489 45.100 0.173 0.000 0.642 197 G HN 0.683 nan 8.290 nan 0.000 0.536 198 I N 1.954 122.634 120.570 0.183 0.000 2.304 198 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 198 I C -0.611 175.607 176.117 0.167 0.000 1.018 198 I CA -0.713 60.680 61.300 0.155 0.000 1.260 198 I CB 1.055 39.132 38.000 0.129 0.000 1.390 198 I HN -0.045 nan 8.210 nan 0.000 0.475 199 D N 7.719 128.209 120.400 0.150 0.000 2.272 199 D HA 0.458 5.098 4.640 -0.000 0.000 0.247 199 D C -2.332 173.943 176.300 -0.042 0.000 0.990 199 D CA -1.411 52.682 54.000 0.155 0.000 0.931 199 D CB 1.381 42.345 40.800 0.273 0.000 1.195 199 D HN 0.172 nan 8.370 nan 0.000 0.477 200 P HA 0.150 nan 4.420 nan 0.000 0.274 200 P C -0.058 177.032 177.300 -0.350 0.000 1.231 200 P CA -0.305 62.475 63.100 -0.534 0.000 0.790 200 P CB 0.430 31.451 31.700 -1.131 0.000 0.951 201 T N -0.550 113.840 114.554 -0.274 0.000 2.788 201 T HA 0.103 4.453 4.350 -0.000 0.000 0.287 201 T C 1.109 175.833 174.700 0.039 0.000 1.007 201 T CA -0.612 61.442 62.100 -0.076 0.000 1.005 201 T CB 0.264 69.071 68.868 -0.102 0.000 1.012 201 T HN 0.177 nan 8.240 nan 0.000 0.530 202 L N 0.769 122.097 121.223 0.174 0.000 2.013 202 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 202 L C 2.461 179.450 176.870 0.198 0.000 1.073 202 L CA 1.985 56.991 54.840 0.277 0.000 0.753 202 L CB -1.269 40.898 42.059 0.180 0.000 0.890 202 L HN 0.787 nan 8.230 nan 0.000 0.432 203 E N -0.218 120.026 120.200 0.073 0.000 2.070 203 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 203 E C 2.236 178.839 176.600 0.006 0.000 1.004 203 E CA 1.853 58.271 56.400 0.031 0.000 0.805 203 E CB -0.360 29.326 29.700 -0.023 0.000 0.744 203 E HN 0.662 nan 8.360 nan 0.000 0.451 204 Q N -1.260 118.450 119.800 -0.150 0.000 2.119 204 Q HA -0.136 4.204 4.340 -0.000 0.000 0.201 204 Q C 2.096 178.126 176.000 0.049 0.000 0.972 204 Q CA 1.181 56.794 55.803 -0.316 0.000 0.847 204 Q CB -0.308 27.930 28.738 -0.834 0.000 0.903 204 Q HN 0.437 nan 8.270 nan 0.000 0.433 205 W N 1.512 122.864 121.300 0.087 0.000 2.358 205 W HA -0.193 4.467 4.660 -0.000 0.000 0.303 205 W C 2.518 179.145 176.519 0.179 0.000 1.208 205 W CA 0.371 57.842 57.345 0.210 0.000 1.274 205 W CB 0.088 29.672 29.460 0.206 0.000 1.138 205 W HN 0.168 nan 8.180 nan 0.000 0.515 206 Q N -0.297 119.710 119.800 0.345 0.000 2.045 206 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 206 Q C 1.907 177.980 176.000 0.123 0.000 0.991 206 Q CA 2.449 58.358 55.803 0.176 0.000 0.851 206 Q CB -1.494 27.316 28.738 0.120 0.000 0.911 206 Q HN 0.279 nan 8.270 nan 0.000 0.418 207 T N 2.426 117.081 114.554 0.168 0.000 2.622 207 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 207 T C 2.203 176.995 174.700 0.154 0.000 1.047 207 T CA 1.269 63.471 62.100 0.168 0.000 1.159 207 T CB -0.475 68.572 68.868 0.298 0.000 0.863 207 T HN 0.158 nan 8.240 nan 0.000 0.422 208 L N 0.849 122.236 121.223 0.273 0.000 2.043 208 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 208 L C 3.047 179.953 176.870 0.061 0.000 1.075 208 L CA 1.478 56.499 54.840 0.302 0.000 0.752 208 L CB -0.792 41.549 42.059 0.470 0.000 0.891 208 L HN 0.272 nan 8.230 nan 0.000 0.432 209 A N -0.307 122.307 122.820 -0.343 0.000 1.883 209 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 209 A C 2.480 179.874 177.584 -0.316 0.000 1.186 209 A CA 2.560 54.030 52.037 -0.945 0.000 0.624 209 A CB -1.041 17.479 19.000 -0.801 0.000 0.822 209 A HN 0.459 nan 8.150 nan 0.000 0.444 210 Q N -0.786 118.905 119.800 -0.181 0.000 2.050 210 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 210 Q C 2.217 178.119 176.000 -0.162 0.000 0.980 210 Q CA 1.871 57.584 55.803 -0.151 0.000 0.840 210 Q CB -1.125 27.561 28.738 -0.086 0.000 0.898 210 Q HN 0.876 nan 8.270 nan 0.000 0.424 211 L N 0.445 121.601 121.223 -0.112 0.000 2.131 211 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 211 L C 2.539 179.174 176.870 -0.392 0.000 1.092 211 L CA 2.536 57.264 54.840 -0.185 0.000 0.759 211 L CB -0.755 41.264 42.059 -0.066 0.000 0.903 211 L HN 0.433 nan 8.230 nan 0.000 0.435 212 S N -1.064 114.540 115.700 -0.160 0.000 2.355 212 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 212 S C 2.111 176.612 174.600 -0.164 0.000 1.031 212 S CA 1.660 59.846 58.200 -0.023 0.000 0.993 212 S CB -0.666 62.937 63.200 0.672 0.000 0.859 212 S HN 0.509 nan 8.310 nan 0.000 0.453 213 V N 0.482 120.231 119.914 -0.275 0.000 2.343 213 V HA 0.047 4.167 4.120 -0.000 0.000 0.247 213 V C 2.515 178.439 176.094 -0.284 0.000 1.051 213 V CA 2.434 64.505 62.300 -0.381 0.000 1.036 213 V CB -1.888 29.642 31.823 -0.488 0.000 0.654 213 V HN 0.616 nan 8.190 nan 0.000 0.451 214 E N 1.169 121.191 120.200 -0.296 0.000 2.072 214 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 214 E C 2.302 178.704 176.600 -0.329 0.000 0.985 214 E CA 2.277 58.519 56.400 -0.263 0.000 0.801 214 E CB -1.033 28.530 29.700 -0.228 0.000 0.750 214 E HN 0.917 nan 8.360 nan 0.000 0.452 215 K N -0.536 119.534 120.400 -0.550 0.000 2.366 215 K HA 0.367 4.687 4.320 -0.000 0.000 0.198 215 K C 1.945 178.200 176.600 -0.574 0.000 1.044 215 K CA 1.193 57.050 56.287 -0.717 0.000 0.973 215 K CB -0.809 30.819 32.500 -1.453 0.000 0.767 215 K HN 1.653 nan 8.250 nan 0.000 0.475 216 G N 0.103 108.657 108.800 -0.410 0.000 2.248 216 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.263 216 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.263 216 G C -0.160 174.780 174.900 0.066 0.000 1.082 216 G CA -0.010 45.012 45.100 -0.130 0.000 0.863 216 G HN 0.424 nan 8.290 nan 0.000 0.495 217 W N -0.865 120.525 121.300 0.150 0.000 2.415 217 W HA 0.707 5.367 4.660 -0.000 0.000 0.355 217 W C 0.424 177.086 176.519 0.239 0.000 1.161 217 W CA -1.605 55.845 57.345 0.174 0.000 1.315 217 W CB 0.974 30.542 29.460 0.181 0.000 1.261 217 W HN 0.149 nan 8.180 nan 0.000 0.636 218 L N 4.566 126.061 121.223 0.453 0.000 2.277 218 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 218 L C -2.245 174.818 176.870 0.322 0.000 1.028 218 L CA -1.801 53.246 54.840 0.344 0.000 0.835 218 L CB 1.352 43.564 42.059 0.255 0.000 1.215 218 L HN -0.097 nan 8.230 nan 0.000 0.425 219 P HA 0.161 nan 4.420 nan 0.000 0.276 219 P C -1.179 176.304 177.300 0.306 0.000 1.235 219 P CA -0.334 62.992 63.100 0.377 0.000 0.772 219 P CB 1.019 32.997 31.700 0.463 0.000 0.871 220 L N 5.479 126.819 121.223 0.196 0.000 2.377 220 L HA 0.537 4.877 4.340 -0.000 0.000 0.270 220 L C -1.628 175.323 176.870 0.134 0.000 0.991 220 L CA -0.653 54.297 54.840 0.184 0.000 0.851 220 L CB -0.022 42.096 42.059 0.098 0.000 1.218 220 L HN 0.098 nan 8.230 nan 0.000 0.420 221 F N 3.130 123.111 119.950 0.051 0.000 2.408 221 F HA 0.393 4.920 4.527 -0.000 0.000 0.344 221 F C 0.532 176.360 175.800 0.047 0.000 1.112 221 F CA -0.251 57.762 58.000 0.022 0.000 1.096 221 F CB 1.209 40.122 39.000 -0.145 0.000 1.129 221 F HN 0.451 nan 8.300 nan 0.000 0.486 222 D N 3.689 124.200 120.400 0.185 0.000 2.392 222 D HA 0.144 4.784 4.640 -0.000 0.000 0.228 222 D C -1.414 175.054 176.300 0.280 0.000 1.074 222 D CA -0.209 53.880 54.000 0.148 0.000 0.838 222 D CB 0.430 41.241 40.800 0.018 0.000 1.067 222 D HN 0.200 nan 8.370 nan 0.000 0.511 223 F N 3.491 123.454 119.950 0.022 0.000 2.366 223 F HA 0.474 5.001 4.527 -0.000 0.000 0.357 223 F C 0.506 176.231 175.800 -0.125 0.000 1.107 223 F CA -1.248 56.757 58.000 0.007 0.000 1.208 223 F CB 0.811 39.797 39.000 -0.024 0.000 1.464 223 F HN 0.468 nan 8.300 nan 0.000 0.501 224 A N 2.904 125.625 122.820 -0.166 0.000 2.348 224 A HA 0.158 4.478 4.320 -0.000 0.000 0.224 224 A C -0.065 177.012 177.584 -0.846 0.000 1.227 224 A CA 0.372 52.064 52.037 -0.575 0.000 0.885 224 A CB -0.327 18.198 19.000 -0.792 0.000 0.933 224 A HN 0.536 nan 8.150 nan 0.000 0.506 225 Y N -0.350 119.859 120.300 -0.150 0.000 2.721 225 Y HA 0.277 4.827 4.550 -0.000 0.000 0.251 225 Y C 0.573 176.442 175.900 -0.051 0.000 1.136 225 Y CA -0.904 57.188 58.100 -0.014 0.000 1.142 225 Y CB -0.157 38.320 38.460 0.028 0.000 1.212 225 Y HN 0.400 nan 8.280 nan 0.000 0.565 226 Q N 1.090 120.627 119.800 -0.437 0.000 2.247 226 Q HA 0.316 4.656 4.340 -0.000 0.000 0.288 226 Q C 1.184 177.096 176.000 -0.147 0.000 1.079 226 Q CA 1.621 57.109 55.803 -0.524 0.000 0.932 226 Q CB 0.163 28.343 28.738 -0.931 0.000 1.133 226 Q HN 0.770 nan 8.270 nan 0.000 0.377 227 G N 3.366 112.107 108.800 -0.097 0.000 2.201 227 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.212 227 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.212 227 G C 0.120 174.820 174.900 -0.332 0.000 0.994 227 G CA 0.058 45.019 45.100 -0.232 0.000 0.644 227 G HN 0.648 nan 8.290 nan 0.000 0.508 228 F N 1.269 121.200 119.950 -0.031 0.000 2.749 228 F HA 0.605 5.132 4.527 -0.000 0.000 0.300 228 F C 2.338 178.138 175.800 -0.000 0.000 1.103 228 F CA 1.170 59.158 58.000 -0.019 0.000 1.342 228 F CB 0.397 39.408 39.000 0.020 0.000 1.098 228 F HN 0.356 nan 8.300 nan 0.000 0.586 229 A N 0.335 123.253 122.820 0.163 0.000 1.941 229 A HA 0.197 4.517 4.320 -0.000 0.000 0.214 229 A C 2.055 179.689 177.584 0.083 0.000 1.368 229 A CA 0.643 52.766 52.037 0.143 0.000 0.651 229 A CB 0.025 19.138 19.000 0.189 0.000 1.064 229 A HN 0.224 nan 8.150 nan 0.000 0.492 230 R N -2.279 118.259 120.500 0.063 0.000 2.444 230 R HA 0.404 4.744 4.340 -0.000 0.000 0.201 230 R C 0.581 176.870 176.300 -0.018 0.000 0.861 230 R CA 0.610 56.728 56.100 0.029 0.000 1.034 230 R CB 1.180 31.513 30.300 0.055 0.000 1.347 230 R HN 0.615 nan 8.270 nan 0.000 0.659 234 E N 1.003 121.219 120.200 0.026 0.000 2.058 234 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 234 E C 1.674 178.307 176.600 0.054 0.000 0.997 234 E CA 1.881 58.304 56.400 0.039 0.000 0.801 234 E CB 0.053 29.766 29.700 0.023 0.000 0.746 234 E HN 0.510 nan 8.360 nan 0.000 0.450 235 E N 1.096 121.326 120.200 0.050 0.000 2.085 235 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 235 E C 1.676 178.345 176.600 0.115 0.000 0.994 235 E CA 1.375 57.816 56.400 0.069 0.000 0.801 235 E CB -0.199 29.535 29.700 0.057 0.000 0.743 235 E HN 0.200 nan 8.360 nan 0.000 0.453 236 D N -0.385 120.105 120.400 0.150 0.000 2.310 236 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 236 D C 1.425 177.925 176.300 0.333 0.000 0.965 236 D CA 1.075 55.232 54.000 0.261 0.000 0.879 236 D CB -0.080 40.875 40.800 0.258 0.000 0.921 236 D HN 0.238 nan 8.370 nan 0.000 0.510 237 A N 0.275 123.220 122.820 0.208 0.000 2.178 237 A HA -0.021 4.299 4.320 -0.000 0.000 0.211 237 A C 1.883 179.370 177.584 -0.162 0.000 1.157 237 A CA 0.274 52.315 52.037 0.006 0.000 0.780 237 A CB -0.155 18.860 19.000 0.024 0.000 0.828 237 A HN 0.077 nan 8.150 nan 0.000 0.476 238 E N -0.046 120.117 120.200 -0.061 0.000 2.113 238 E HA -0.265 4.085 4.350 -0.000 0.000 0.210 238 E C 2.074 178.533 176.600 -0.234 0.000 1.040 238 E CA 1.436 57.791 56.400 -0.074 0.000 0.847 238 E CB -0.429 29.293 29.700 0.036 0.000 0.755 238 E HN 0.611 nan 8.360 nan 0.000 0.459 239 G N 1.008 109.506 108.800 -0.503 0.000 2.476 239 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 239 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 239 G C 1.521 175.876 174.900 -0.908 0.000 1.164 239 G CA 0.996 45.328 45.100 -1.281 0.000 0.768 239 G HN 0.191 nan 8.290 nan 0.000 0.560 240 L N 0.922 121.591 121.223 -0.923 0.000 2.017 240 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 240 L C 2.835 179.414 176.870 -0.485 0.000 1.073 240 L CA 1.627 55.813 54.840 -1.091 0.000 0.745 240 L CB -0.461 40.901 42.059 -1.161 0.000 0.894 240 L HN 0.099 nan 8.230 nan 0.000 0.432 241 R N 0.126 120.457 120.500 -0.281 0.000 2.152 241 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 241 R C 2.115 178.402 176.300 -0.021 0.000 1.117 241 R CA 1.180 57.236 56.100 -0.073 0.000 0.981 241 R CB -1.148 29.129 30.300 -0.039 0.000 0.870 241 R HN 0.546 nan 8.270 nan 0.000 0.451 242 A N 0.852 123.661 122.820 -0.019 0.000 1.897 242 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 242 A C 1.874 179.540 177.584 0.138 0.000 1.181 242 A CA 0.896 52.978 52.037 0.075 0.000 0.620 242 A CB -0.462 18.618 19.000 0.134 0.000 0.821 242 A HN 0.138 nan 8.150 nan 0.000 0.443 243 F N 0.197 120.101 119.950 -0.077 0.000 2.206 243 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 243 F C 2.772 178.615 175.800 0.073 0.000 1.090 243 F CA 0.564 58.591 58.000 0.045 0.000 1.323 243 F CB -0.667 38.264 39.000 -0.116 0.000 1.028 243 F HN 0.250 nan 8.300 nan 0.000 0.492 244 A N -0.013 122.888 122.820 0.136 0.000 1.908 244 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 244 A C 2.348 179.950 177.584 0.029 0.000 1.181 244 A CA 1.807 53.876 52.037 0.053 0.000 0.627 244 A CB -1.268 17.748 19.000 0.027 0.000 0.818 244 A HN 0.279 nan 8.150 nan 0.000 0.445 245 A N -1.929 120.911 122.820 0.034 0.000 2.168 245 A HA 0.213 4.533 4.320 -0.000 0.000 0.215 245 A C 2.011 179.600 177.584 0.008 0.000 1.152 245 A CA 1.550 53.591 52.037 0.006 0.000 0.716 245 A CB -0.318 18.684 19.000 0.004 0.000 0.794 245 A HN 0.587 nan 8.150 nan 0.000 0.465 246 M N -1.849 117.780 119.600 0.049 0.000 2.838 246 M HA 0.204 4.684 4.480 -0.000 0.000 0.251 246 M C 0.283 176.554 176.300 -0.048 0.000 1.393 246 M CA 0.281 55.570 55.300 -0.017 0.000 1.196 246 M CB 0.424 32.986 32.600 -0.064 0.000 1.276 246 M HN 0.398 nan 8.290 nan 0.000 0.541 247 H N 0.045 119.121 119.070 0.010 0.000 2.505 247 H HA 0.234 4.790 4.556 -0.000 0.000 0.355 247 H C 0.743 176.089 175.328 0.030 0.000 1.179 247 H CA 0.475 56.550 56.048 0.047 0.000 1.343 247 H CB 1.284 31.129 29.762 0.138 0.000 1.501 247 H HN 0.165 nan 8.280 nan 0.000 0.569 248 K N 2.411 122.900 120.400 0.148 0.000 2.202 248 K HA 0.064 4.384 4.320 -0.000 0.000 0.201 248 K C 0.638 177.307 176.600 0.115 0.000 1.051 248 K CA 0.840 57.180 56.287 0.088 0.000 0.977 248 K CB 0.252 32.787 32.500 0.058 0.000 0.792 248 K HN 0.728 nan 8.250 nan 0.000 0.469 249 E N -0.263 120.046 120.200 0.182 0.000 2.248 249 E HA 0.628 4.978 4.350 -0.000 0.000 0.267 249 E C -1.288 175.443 176.600 0.219 0.000 0.877 249 E CA -1.206 55.303 56.400 0.181 0.000 0.759 249 E CB 1.934 31.745 29.700 0.185 0.000 1.182 249 E HN 0.312 nan 8.360 nan 0.000 0.418 250 L N -1.033 120.302 121.223 0.186 0.000 2.794 250 L HA 0.622 4.962 4.340 -0.000 0.000 0.261 250 L C -1.679 175.306 176.870 0.191 0.000 0.989 250 L CA -0.749 54.212 54.840 0.200 0.000 0.900 250 L CB 0.855 43.017 42.059 0.172 0.000 1.473 250 L HN 0.570 nan 8.230 nan 0.000 0.414 251 I N 1.359 122.059 120.570 0.217 0.000 2.545 251 I HA 0.770 4.940 4.170 -0.000 0.000 0.292 251 I C -1.083 175.158 176.117 0.207 0.000 1.040 251 I CA -1.202 60.217 61.300 0.198 0.000 1.068 251 I CB 2.268 40.397 38.000 0.214 0.000 1.251 251 I HN 0.577 nan 8.210 nan 0.000 0.424 252 V N 5.671 125.682 119.914 0.160 0.000 2.525 252 V HA 0.800 4.920 4.120 -0.000 0.000 0.299 252 V C -0.578 175.587 176.094 0.118 0.000 1.034 252 V CA -0.197 62.184 62.300 0.135 0.000 0.863 252 V CB 1.626 33.456 31.823 0.012 0.000 0.999 252 V HN 0.810 nan 8.190 nan 0.000 0.423 253 A N 5.529 128.432 122.820 0.139 0.000 2.256 253 A HA 0.849 5.169 4.320 -0.000 0.000 0.317 253 A C 0.178 177.808 177.584 0.076 0.000 1.318 253 A CA 0.061 52.163 52.037 0.109 0.000 0.894 253 A CB 0.708 19.786 19.000 0.129 0.000 1.165 253 A HN 1.414 nan 8.150 nan 0.000 0.525 254 S N 1.515 117.224 115.700 0.015 0.000 2.664 254 S HA 0.861 5.331 4.470 -0.000 0.000 0.304 254 S C -0.106 174.379 174.600 -0.191 0.000 1.099 254 S CA -0.519 57.635 58.200 -0.076 0.000 1.003 254 S CB 1.773 64.894 63.200 -0.132 0.000 1.092 254 S HN 1.081 nan 8.310 nan 0.000 0.525 255 S N -0.481 115.023 115.700 -0.325 0.000 2.548 255 S HA 0.627 5.097 4.470 -0.000 0.000 0.286 255 S C -1.426 172.935 174.600 -0.397 0.000 1.098 255 S CA -0.559 57.462 58.200 -0.298 0.000 0.930 255 S CB 0.906 63.947 63.200 -0.264 0.000 1.070 255 S HN 0.697 nan 8.310 nan 0.000 0.480 256 Y N 1.806 122.090 120.300 -0.028 0.000 2.481 256 Y HA 0.300 4.850 4.550 -0.000 0.000 0.247 256 Y C 2.251 178.150 175.900 -0.001 0.000 1.151 256 Y CA -0.087 58.032 58.100 0.032 0.000 1.238 256 Y CB 0.110 38.544 38.460 -0.044 0.000 1.179 256 Y HN 0.594 nan 8.280 nan 0.000 0.524 257 S N 0.436 116.148 115.700 0.020 0.000 2.359 257 S HA -0.234 4.236 4.470 -0.000 0.000 0.223 257 S C 1.833 176.243 174.600 -0.316 0.000 1.039 257 S CA 2.010 60.141 58.200 -0.114 0.000 1.042 257 S CB -0.015 63.170 63.200 -0.024 0.000 0.915 257 S HN 0.337 nan 8.310 nan 0.000 0.439 258 K N 1.892 122.223 120.400 -0.114 0.000 2.044 258 K HA 0.087 4.407 4.320 -0.000 0.000 0.204 258 K C 1.666 178.427 176.600 0.267 0.000 1.045 258 K CA 1.206 57.493 56.287 0.000 0.000 0.951 258 K CB -0.576 31.897 32.500 -0.046 0.000 0.738 258 K HN 0.633 nan 8.250 nan 0.000 0.443 259 N N -0.434 118.514 118.700 0.413 0.000 2.585 259 N HA -0.117 4.622 4.740 -0.000 0.000 0.188 259 N C 0.659 176.303 175.510 0.223 0.000 1.102 259 N CA 0.741 53.993 53.050 0.337 0.000 0.920 259 N CB -0.031 38.624 38.487 0.281 0.000 0.963 259 N HN 0.079 nan 8.380 nan 0.000 0.447 260 F N -0.306 119.753 119.950 0.182 0.000 2.767 260 F HA 0.353 4.880 4.527 -0.000 0.000 0.323 260 F C 1.446 177.218 175.800 -0.046 0.000 1.091 260 F CA 0.030 58.084 58.000 0.091 0.000 1.192 260 F CB 0.930 39.886 39.000 -0.073 0.000 1.056 260 F HN 0.085 nan 8.300 nan 0.000 0.571 261 G N 1.666 110.426 108.800 -0.067 0.000 2.273 261 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 261 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 261 G C 0.367 175.080 174.900 -0.312 0.000 1.047 261 G CA 0.347 45.249 45.100 -0.331 0.000 0.869 261 G HN 0.399 nan 8.290 nan 0.000 0.502 262 L N -0.351 120.689 121.223 -0.305 0.000 3.062 262 L HA 0.295 4.634 4.340 -0.000 0.000 0.255 262 L C 2.078 178.902 176.870 -0.075 0.000 1.274 262 L CA -0.903 53.874 54.840 -0.105 0.000 1.047 262 L CB -0.305 41.729 42.059 -0.041 0.000 1.402 262 L HN 0.306 nan 8.230 nan 0.000 0.550 263 Y N 0.835 121.185 120.300 0.083 0.000 1.997 263 Y HA -0.409 4.141 4.550 -0.000 0.000 0.265 263 Y C 2.486 178.406 175.900 0.035 0.000 1.193 263 Y CA 2.110 60.241 58.100 0.053 0.000 1.106 263 Y CB -0.855 37.636 38.460 0.053 0.000 0.940 263 Y HN 0.557 nan 8.280 nan 0.000 0.494 264 N N -0.068 118.767 118.700 0.226 0.000 2.571 264 N HA -0.113 4.627 4.740 -0.000 0.000 0.189 264 N C 0.754 176.303 175.510 0.065 0.000 1.154 264 N CA 1.037 54.158 53.050 0.119 0.000 0.907 264 N CB -0.409 38.139 38.487 0.100 0.000 0.977 264 N HN 0.427 nan 8.380 nan 0.000 0.449 265 E N 0.535 120.770 120.200 0.059 0.000 2.474 265 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 265 E C -0.236 176.358 176.600 -0.009 0.000 1.041 265 E CA -0.070 56.349 56.400 0.031 0.000 0.874 265 E CB 0.081 29.812 29.700 0.052 0.000 0.914 265 E HN 0.169 nan 8.360 nan 0.000 0.498 266 R N -0.101 120.398 120.500 -0.002 0.000 2.992 266 R HA -0.122 4.218 4.340 -0.000 0.000 0.263 266 R C -0.786 175.481 176.300 -0.054 0.000 0.902 266 R CA 0.222 56.306 56.100 -0.028 0.000 0.667 266 R CB -3.022 27.243 30.300 -0.058 0.000 1.504 266 R HN -0.087 nan 8.270 nan 0.000 0.489 267 V N 0.695 120.600 119.914 -0.016 0.000 2.350 267 V HA 0.857 4.976 4.120 -0.000 0.000 0.285 267 V C 1.121 177.314 176.094 0.166 0.000 1.014 267 V CA 0.016 62.325 62.300 0.015 0.000 0.831 267 V CB 2.044 33.861 31.823 -0.009 0.000 1.000 267 V HN 0.715 nan 8.190 nan 0.000 0.433 268 G N 2.811 111.717 108.800 0.176 0.000 2.827 268 G HA2 0.951 4.911 3.960 -0.000 0.000 0.296 268 G HA3 0.951 4.911 3.960 -0.000 0.000 0.296 268 G C -1.339 173.747 174.900 0.310 0.000 1.362 268 G CA -0.264 44.945 45.100 0.183 0.000 0.809 268 G HN 1.180 nan 8.290 nan 0.000 0.522 269 A N -1.767 121.170 122.820 0.196 0.000 2.589 269 A HA 0.598 4.918 4.320 -0.000 0.000 0.296 269 A C -1.341 176.328 177.584 0.143 0.000 1.062 269 A CA -0.306 51.876 52.037 0.241 0.000 0.686 269 A CB 1.330 20.476 19.000 0.243 0.000 1.282 269 A HN 1.754 nan 8.150 nan 0.000 0.404 270 C N 2.012 121.412 119.300 0.167 0.000 2.316 270 C HA 0.793 5.253 4.460 -0.000 0.000 0.324 270 C C -0.027 175.049 174.990 0.142 0.000 1.226 270 C CA 0.057 59.160 59.018 0.142 0.000 1.450 270 C CB -0.306 27.522 27.740 0.146 0.000 2.123 270 C HN 0.816 nan 8.230 nan 0.000 0.454 271 T N 6.917 121.537 114.554 0.109 0.000 2.771 271 T HA 0.417 4.767 4.350 -0.000 0.000 0.281 271 T C -0.452 174.307 174.700 0.098 0.000 0.982 271 T CA -0.183 61.976 62.100 0.099 0.000 0.978 271 T CB 1.008 69.942 68.868 0.109 0.000 0.930 271 T HN 0.634 nan 8.240 nan 0.000 0.447 272 L N 4.100 125.353 121.223 0.049 0.000 2.295 272 L HA 0.680 5.020 4.340 -0.000 0.000 0.285 272 L C -0.927 175.957 176.870 0.023 0.000 1.035 272 L CA -0.758 54.101 54.840 0.032 0.000 0.806 272 L CB 1.251 43.307 42.059 -0.006 0.000 1.214 272 L HN 0.380 nan 8.230 nan 0.000 0.426 273 V N 3.970 123.918 119.914 0.056 0.000 2.531 273 V HA 0.747 4.867 4.120 -0.000 0.000 0.301 273 V C -0.016 176.108 176.094 0.051 0.000 1.034 273 V CA -0.443 61.867 62.300 0.017 0.000 0.865 273 V CB 1.513 33.333 31.823 -0.004 0.000 0.995 273 V HN 0.896 nan 8.190 nan 0.000 0.424 274 A N 3.324 126.160 122.820 0.027 0.000 2.389 274 A HA 0.938 5.258 4.320 -0.000 0.000 0.293 274 A C 1.141 178.741 177.584 0.027 0.000 1.186 274 A CA 0.098 52.167 52.037 0.054 0.000 0.828 274 A CB 1.327 20.366 19.000 0.065 0.000 1.369 274 A HN 1.137 nan 8.150 nan 0.000 0.446 275 A N -0.519 122.323 122.820 0.037 0.000 1.902 275 A HA 0.221 4.541 4.320 -0.000 0.000 0.217 275 A C 0.603 178.188 177.584 0.002 0.000 1.181 275 A CA 2.263 54.312 52.037 0.020 0.000 0.623 275 A CB -0.736 18.280 19.000 0.027 0.000 0.818 275 A HN 1.000 nan 8.150 nan 0.000 0.443 276 D N -4.514 115.890 120.400 0.006 0.000 2.610 276 D HA 0.420 5.060 4.640 -0.000 0.000 0.271 276 D C 0.505 176.803 176.300 -0.004 0.000 1.174 276 D CA 0.076 54.074 54.000 -0.004 0.000 0.949 276 D CB 0.762 41.564 40.800 0.002 0.000 1.430 276 D HN -0.164 nan 8.370 nan 0.000 0.467 277 S N -1.126 114.568 115.700 -0.010 0.000 2.399 277 S HA -0.192 4.278 4.470 -0.000 0.000 0.231 277 S C 1.445 176.049 174.600 0.007 0.000 1.022 277 S CA 1.355 59.548 58.200 -0.011 0.000 0.983 277 S CB -0.429 62.762 63.200 -0.015 0.000 0.803 277 S HN 0.503 nan 8.310 nan 0.000 0.480 278 E N 0.615 120.825 120.200 0.016 0.000 2.072 278 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 278 E C 1.872 178.499 176.600 0.045 0.000 0.982 278 E CA 1.509 57.926 56.400 0.029 0.000 0.803 278 E CB -0.639 29.076 29.700 0.026 0.000 0.755 278 E HN 0.530 nan 8.360 nan 0.000 0.453 279 T N 0.876 115.458 114.554 0.046 0.000 2.777 279 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 279 T C 1.926 176.679 174.700 0.088 0.000 1.040 279 T CA 1.186 63.326 62.100 0.067 0.000 1.141 279 T CB -0.307 68.598 68.868 0.063 0.000 0.868 279 T HN 0.035 nan 8.240 nan 0.000 0.444 280 V N 1.833 121.785 119.914 0.063 0.000 2.358 280 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 280 V C 1.957 178.113 176.094 0.103 0.000 1.047 280 V CA 2.024 64.363 62.300 0.065 0.000 1.035 280 V CB -0.508 31.311 31.823 -0.006 0.000 0.658 280 V HN 0.353 nan 8.190 nan 0.000 0.452 281 D N -0.479 119.970 120.400 0.082 0.000 2.144 281 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 281 D C 2.282 178.681 176.300 0.166 0.000 0.984 281 D CA 1.353 55.428 54.000 0.126 0.000 0.834 281 D CB -0.275 40.572 40.800 0.078 0.000 0.955 281 D HN 0.379 nan 8.370 nan 0.000 0.465 282 R N 0.292 120.870 120.500 0.130 0.000 2.066 282 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 282 R C 2.065 178.467 176.300 0.170 0.000 1.131 282 R CA 1.391 57.566 56.100 0.125 0.000 0.955 282 R CB -0.142 30.217 30.300 0.099 0.000 0.851 282 R HN 0.144 nan 8.270 nan 0.000 0.432 283 A N 0.125 123.072 122.820 0.212 0.000 1.898 283 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 283 A C 1.942 179.712 177.584 0.311 0.000 1.181 283 A CA 1.034 53.261 52.037 0.318 0.000 0.620 283 A CB -0.723 18.492 19.000 0.357 0.000 0.819 283 A HN 0.482 nan 8.150 nan 0.000 0.442 284 F N 2.047 122.025 119.950 0.047 0.000 2.269 284 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 284 F C 2.674 178.487 175.800 0.022 0.000 1.082 284 F CA 1.484 59.469 58.000 -0.026 0.000 1.360 284 F CB -0.237 38.749 39.000 -0.023 0.000 1.041 284 F HN 0.339 nan 8.300 nan 0.000 0.512 285 S N -0.909 114.846 115.700 0.092 0.000 2.402 285 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 285 S C 1.850 176.436 174.600 -0.024 0.000 1.021 285 S CA 0.876 59.074 58.200 -0.003 0.000 0.974 285 S CB -0.474 62.759 63.200 0.056 0.000 0.800 285 S HN 0.447 nan 8.310 nan 0.000 0.484 286 Q N 0.454 120.303 119.800 0.080 0.000 2.245 286 Q HA 0.178 4.518 4.340 -0.000 0.000 0.201 286 Q C 2.066 178.147 176.000 0.136 0.000 0.955 286 Q CA 1.010 56.891 55.803 0.130 0.000 0.870 286 Q CB -0.364 28.511 28.738 0.229 0.000 0.945 286 Q HN 0.746 nan 8.270 nan 0.000 0.461 287 M N 0.636 120.263 119.600 0.045 0.000 2.132 287 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 287 M C 1.666 177.819 176.300 -0.245 0.000 1.065 287 M CA 1.475 56.706 55.300 -0.114 0.000 1.122 287 M CB 0.117 32.454 32.600 -0.438 0.000 1.365 287 M HN -0.063 nan 8.290 nan 0.000 0.411 288 K N 0.276 120.430 120.400 -0.410 0.000 2.147 288 K HA -0.093 4.226 4.320 -0.000 0.000 0.205 288 K C 1.997 178.476 176.600 -0.203 0.000 1.049 288 K CA 1.343 57.415 56.287 -0.359 0.000 0.936 288 K CB -0.320 31.953 32.500 -0.377 0.000 0.722 288 K HN 0.464 nan 8.250 nan 0.000 0.446 289 A N 1.726 124.468 122.820 -0.129 0.000 1.898 289 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 289 A C 2.420 179.957 177.584 -0.079 0.000 1.181 289 A CA 1.661 53.648 52.037 -0.084 0.000 0.620 289 A CB -0.549 18.429 19.000 -0.036 0.000 0.819 289 A HN 0.307 nan 8.150 nan 0.000 0.442 290 A N 0.008 122.801 122.820 -0.045 0.000 1.902 290 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 290 A C 2.116 179.635 177.584 -0.108 0.000 1.181 290 A CA 1.565 53.588 52.037 -0.024 0.000 0.623 290 A CB -0.583 18.457 19.000 0.067 0.000 0.818 290 A HN 0.508 nan 8.150 nan 0.000 0.443 291 I N -1.201 119.256 120.570 -0.187 0.000 2.202 291 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 291 I C 2.636 178.483 176.117 -0.451 0.000 1.091 291 I CA 1.587 62.652 61.300 -0.392 0.000 1.368 291 I CB -0.283 37.492 38.000 -0.374 0.000 1.058 291 I HN 0.291 nan 8.210 nan 0.000 0.410 292 R N 2.041 122.369 120.500 -0.286 0.000 2.117 292 R HA -0.143 4.197 4.340 -0.000 0.000 0.243 292 R C 1.880 178.070 176.300 -0.183 0.000 1.143 292 R CA 1.972 57.937 56.100 -0.226 0.000 0.968 292 R CB -0.634 29.572 30.300 -0.157 0.000 0.863 292 R HN 0.361 nan 8.270 nan 0.000 0.444 293 A N -0.320 122.412 122.820 -0.147 0.000 2.238 293 A HA 0.079 4.399 4.320 -0.000 0.000 0.208 293 A C 1.525 179.058 177.584 -0.085 0.000 1.177 293 A CA 0.579 52.560 52.037 -0.093 0.000 0.804 293 A CB -0.437 18.528 19.000 -0.059 0.000 0.823 293 A HN 0.431 nan 8.150 nan 0.000 0.482 294 N N -0.611 117.998 118.700 -0.152 0.000 2.652 294 N HA 0.036 4.776 4.740 -0.000 0.000 0.226 294 N C 0.831 176.332 175.510 -0.016 0.000 1.023 294 N CA 1.582 54.584 53.050 -0.081 0.000 1.126 294 N CB 0.081 38.516 38.487 -0.087 0.000 1.476 294 N HN 0.468 nan 8.380 nan 0.000 0.537 295 Y N -1.272 119.025 120.300 -0.005 0.000 2.675 295 Y HA 0.577 5.127 4.550 -0.000 0.000 0.248 295 Y C 1.145 177.041 175.900 -0.008 0.000 1.161 295 Y CA 0.253 58.352 58.100 -0.001 0.000 1.203 295 Y CB -0.026 38.437 38.460 0.005 0.000 1.262 295 Y HN 0.097 nan 8.280 nan 0.000 0.544 296 S N 1.244 116.798 115.700 -0.244 0.000 1.694 296 S HA -0.345 4.125 4.470 -0.000 0.000 0.236 296 S C -0.049 174.457 174.600 -0.157 0.000 0.821 296 S CA 2.218 60.308 58.200 -0.183 0.000 1.530 296 S CB -1.807 61.336 63.200 -0.095 0.000 1.703 296 S HN 1.018 nan 8.310 nan 0.000 0.517 297 N N 1.370 120.103 118.700 0.054 0.000 2.484 297 N HA 0.689 5.429 4.740 -0.000 0.000 0.269 297 N C -3.213 172.508 175.510 0.352 0.000 1.237 297 N CA -1.297 51.844 53.050 0.151 0.000 0.838 297 N CB 1.634 40.174 38.487 0.089 0.000 1.593 297 N HN 0.312 nan 8.380 nan 0.000 0.485 298 P HA 0.264 nan 4.420 nan 0.000 0.274 298 P C -2.546 174.766 177.300 0.019 0.000 1.231 298 P CA -0.946 62.224 63.100 0.117 0.000 0.790 298 P CB 0.120 31.859 31.700 0.064 0.000 0.951 299 P HA 0.082 nan 4.420 nan 0.000 0.271 299 P C 0.383 177.636 177.300 -0.079 0.000 1.220 299 P CA -0.027 63.043 63.100 -0.049 0.000 0.768 299 P CB 0.742 32.400 31.700 -0.069 0.000 0.848 300 A N 3.237 126.029 122.820 -0.047 0.000 1.930 300 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 300 A C 2.232 179.767 177.584 -0.083 0.000 1.176 300 A CA 0.876 52.868 52.037 -0.075 0.000 0.632 300 A CB -1.466 17.510 19.000 -0.040 0.000 0.819 300 A HN 0.728 nan 8.150 nan 0.000 0.445 301 H N 0.039 119.045 119.070 -0.107 0.000 2.289 301 H HA -0.187 4.369 4.556 -0.000 0.000 0.296 301 H C 2.290 177.538 175.328 -0.132 0.000 1.091 301 H CA 2.195 58.184 56.048 -0.099 0.000 1.274 301 H CB -0.368 29.352 29.762 -0.071 0.000 1.364 301 H HN 0.429 nan 8.280 nan 0.000 0.490 302 G N -0.110 108.630 108.800 -0.101 0.000 2.404 302 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 302 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 302 G C 1.969 176.667 174.900 -0.337 0.000 1.174 302 G CA 1.222 46.207 45.100 -0.192 0.000 0.780 302 G HN 0.566 nan 8.290 nan 0.000 0.537 303 A N 0.718 123.297 122.820 -0.401 0.000 1.940 303 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 303 A C 2.704 180.044 177.584 -0.407 0.000 1.176 303 A CA 2.313 53.974 52.037 -0.626 0.000 0.631 303 A CB -0.618 17.835 19.000 -0.910 0.000 0.814 303 A HN 0.317 nan 8.150 nan 0.000 0.446 304 S N -0.468 115.042 115.700 -0.317 0.000 2.356 304 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 304 S C 1.918 176.364 174.600 -0.257 0.000 1.032 304 S CA 1.404 59.466 58.200 -0.231 0.000 1.005 304 S CB -0.549 62.535 63.200 -0.193 0.000 0.867 304 S HN 0.351 nan 8.310 nan 0.000 0.449 305 V N 1.620 121.330 119.914 -0.340 0.000 2.282 305 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 305 V C 2.333 178.196 176.094 -0.384 0.000 1.057 305 V CA 1.668 63.773 62.300 -0.325 0.000 1.032 305 V CB -0.791 30.830 31.823 -0.336 0.000 0.645 305 V HN 0.338 nan 8.190 nan 0.000 0.447 306 V N 0.057 119.636 119.914 -0.559 0.000 2.295 306 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 306 V C 2.679 178.465 176.094 -0.513 0.000 1.049 306 V CA 2.067 63.845 62.300 -0.871 0.000 1.024 306 V CB -1.168 29.980 31.823 -1.124 0.000 0.648 306 V HN 0.577 nan 8.190 nan 0.000 0.447 307 A N 0.142 122.801 122.820 -0.268 0.000 1.865 307 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 307 A C 2.546 180.028 177.584 -0.170 0.000 1.191 307 A CA 2.842 54.787 52.037 -0.154 0.000 0.623 307 A CB -1.200 17.773 19.000 -0.044 0.000 0.826 307 A HN 0.562 nan 8.150 nan 0.000 0.444 308 T N -1.196 113.253 114.554 -0.174 0.000 2.833 308 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 308 T C 1.770 176.362 174.700 -0.180 0.000 1.054 308 T CA 1.601 63.593 62.100 -0.181 0.000 1.135 308 T CB -0.527 68.221 68.868 -0.201 0.000 0.869 308 T HN 0.367 nan 8.240 nan 0.000 0.466 309 I N 0.008 120.469 120.570 -0.180 0.000 2.233 309 I HA -0.016 4.154 4.170 -0.000 0.000 0.243 309 I C 2.253 178.313 176.117 -0.095 0.000 1.093 309 I CA 0.704 61.935 61.300 -0.115 0.000 1.380 309 I CB -0.256 37.702 38.000 -0.071 0.000 1.067 309 I HN 0.239 nan 8.210 nan 0.000 0.413 310 L N 0.103 121.231 121.223 -0.158 0.000 2.275 310 L HA -0.111 4.229 4.340 -0.000 0.000 0.215 310 L C 2.458 179.285 176.870 -0.073 0.000 1.119 310 L CA 1.567 56.339 54.840 -0.114 0.000 0.790 310 L CB -0.645 41.300 42.059 -0.190 0.000 0.919 310 L HN 0.081 nan 8.230 nan 0.000 0.443 311 S N -1.422 114.222 115.700 -0.093 0.000 2.439 311 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 311 S C 0.923 175.483 174.600 -0.067 0.000 1.029 311 S CA 0.054 58.209 58.200 -0.075 0.000 0.946 311 S CB -0.247 62.902 63.200 -0.085 0.000 0.797 311 S HN 0.450 nan 8.310 nan 0.000 0.504 312 N N 1.436 120.087 118.700 -0.081 0.000 2.434 312 N HA 0.141 4.881 4.740 -0.000 0.000 0.272 312 N C 0.139 175.629 175.510 -0.033 0.000 1.040 312 N CA -0.140 52.864 53.050 -0.075 0.000 0.956 312 N CB 0.841 39.256 38.487 -0.120 0.000 1.108 312 N HN -0.134 nan 8.380 nan 0.000 0.481 313 D N 2.594 122.981 120.400 -0.022 0.000 2.117 313 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 313 D C 1.534 177.836 176.300 0.003 0.000 0.982 313 D CA 1.055 55.054 54.000 -0.002 0.000 0.828 313 D CB -0.143 40.654 40.800 -0.004 0.000 0.967 313 D HN 0.682 nan 8.370 nan 0.000 0.464 314 A N 0.721 123.535 122.820 -0.009 0.000 1.933 314 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 314 A C 2.154 179.741 177.584 0.005 0.000 1.175 314 A CA 0.931 52.964 52.037 -0.006 0.000 0.628 314 A CB -0.533 18.458 19.000 -0.014 0.000 0.814 314 A HN 0.161 nan 8.150 nan 0.000 0.444 315 L N -0.664 120.558 121.223 -0.002 0.000 2.095 315 L HA 0.000 4.340 4.340 -0.000 0.000 0.204 315 L C 2.423 179.340 176.870 0.078 0.000 1.080 315 L CA 1.947 56.798 54.840 0.017 0.000 0.759 315 L CB -0.681 41.362 42.059 -0.027 0.000 0.914 315 L HN 0.448 nan 8.230 nan 0.000 0.439 316 R N 0.240 120.788 120.500 0.079 0.000 2.083 316 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 316 R C 2.145 178.542 176.300 0.161 0.000 1.137 316 R CA 1.938 58.138 56.100 0.166 0.000 0.951 316 R CB -0.973 29.397 30.300 0.117 0.000 0.851 316 R HN 0.347 nan 8.270 nan 0.000 0.434 317 A N 0.614 123.474 122.820 0.067 0.000 1.908 317 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 317 A C 2.378 179.958 177.584 -0.007 0.000 1.181 317 A CA 1.837 53.882 52.037 0.014 0.000 0.627 317 A CB -0.680 18.319 19.000 -0.002 0.000 0.818 317 A HN 0.416 nan 8.150 nan 0.000 0.445 318 I N -2.446 118.139 120.570 0.025 0.000 2.142 318 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 318 I C 2.447 178.566 176.117 0.004 0.000 1.078 318 I CA 1.809 63.117 61.300 0.012 0.000 1.343 318 I CB -0.469 37.553 38.000 0.037 0.000 1.046 318 I HN 0.741 nan 8.210 nan 0.000 0.405 319 W N 2.447 123.678 121.300 -0.115 0.000 2.317 319 W HA -0.250 4.410 4.660 0.000 0.000 0.318 319 W C 2.389 178.765 176.519 -0.237 0.000 1.227 319 W CA 1.796 59.024 57.345 -0.195 0.000 1.269 319 W CB -0.457 28.869 29.460 -0.223 0.000 1.155 319 W HN 0.101 nan 8.180 nan 0.000 0.484 320 E N -0.477 119.413 120.200 -0.516 0.000 2.160 320 E HA -0.328 4.022 4.350 -0.000 0.000 0.195 320 E C 1.998 178.270 176.600 -0.547 0.000 0.991 320 E CA 1.581 57.521 56.400 -0.767 0.000 0.810 320 E CB -0.356 29.103 29.700 -0.401 0.000 0.742 320 E HN 0.265 nan 8.360 nan 0.000 0.466 321 Q N 1.298 120.896 119.800 -0.336 0.000 2.123 321 Q HA -0.152 4.188 4.340 -0.000 0.000 0.199 321 Q C 1.538 177.369 176.000 -0.283 0.000 0.966 321 Q CA 1.520 57.173 55.803 -0.251 0.000 0.845 321 Q CB 0.055 28.703 28.738 -0.149 0.000 0.907 321 Q HN 0.277 nan 8.270 nan 0.000 0.439 322 E N -0.438 119.578 120.200 -0.308 0.000 2.110 322 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 322 E C 1.792 178.142 176.600 -0.418 0.000 0.988 322 E CA 1.041 57.271 56.400 -0.283 0.000 0.804 322 E CB -0.163 29.419 29.700 -0.197 0.000 0.745 322 E HN 0.284 nan 8.360 nan 0.000 0.458 323 L N 0.872 121.702 121.223 -0.655 0.000 2.093 323 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 323 L C 2.183 178.705 176.870 -0.581 0.000 1.085 323 L CA 1.853 56.245 54.840 -0.745 0.000 0.755 323 L CB -0.683 40.728 42.059 -1.079 0.000 0.904 323 L HN -0.004 nan 8.230 nan 0.000 0.435 324 T N -0.274 113.997 114.554 -0.473 0.000 2.746 324 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 324 T C 1.452 176.010 174.700 -0.238 0.000 1.039 324 T CA 1.595 63.499 62.100 -0.327 0.000 1.142 324 T CB -0.305 68.406 68.868 -0.261 0.000 0.866 324 T HN 0.427 nan 8.240 nan 0.000 0.444 325 D N 0.875 121.146 120.400 -0.216 0.000 2.144 325 D HA -0.019 4.621 4.640 -0.000 0.000 0.199 325 D C 2.080 178.320 176.300 -0.100 0.000 0.984 325 D CA 0.957 54.881 54.000 -0.126 0.000 0.834 325 D CB -0.236 40.506 40.800 -0.096 0.000 0.955 325 D HN 0.407 nan 8.370 nan 0.000 0.465 326 M N 0.043 119.504 119.600 -0.232 0.000 2.132 326 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 326 M C 2.382 178.656 176.300 -0.043 0.000 1.065 326 M CA 1.017 56.154 55.300 -0.271 0.000 1.122 326 M CB -0.134 32.062 32.600 -0.673 0.000 1.365 326 M HN -0.102 nan 8.290 nan 0.000 0.411 327 R N 0.536 120.932 120.500 -0.174 0.000 2.081 327 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 327 R C 2.013 178.313 176.300 0.000 0.000 1.131 327 R CA 1.739 57.793 56.100 -0.076 0.000 0.960 327 R CB -0.099 30.081 30.300 -0.200 0.000 0.856 327 R HN 0.453 nan 8.270 nan 0.000 0.436 328 Q N -0.414 119.367 119.800 -0.031 0.000 2.119 328 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 328 Q C 2.196 178.218 176.000 0.036 0.000 0.972 328 Q CA 1.268 57.069 55.803 -0.004 0.000 0.847 328 Q CB -0.061 28.660 28.738 -0.028 0.000 0.903 328 Q HN 0.284 nan 8.270 nan 0.000 0.433 329 R N 0.681 121.225 120.500 0.074 0.000 2.092 329 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 329 R C 2.026 178.382 176.300 0.093 0.000 1.119 329 R CA 0.957 57.116 56.100 0.098 0.000 0.970 329 R CB -0.076 30.328 30.300 0.172 0.000 0.864 329 R HN 0.258 nan 8.270 nan 0.000 0.440 330 I N 0.770 121.421 120.570 0.135 0.000 2.315 330 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 330 I C 2.279 178.429 176.117 0.056 0.000 1.117 330 I CA 1.342 62.700 61.300 0.097 0.000 1.404 330 I CB -0.244 37.840 38.000 0.140 0.000 1.071 330 I HN 0.307 nan 8.210 nan 0.000 0.419 331 Q N 0.353 120.187 119.800 0.057 0.000 2.084 331 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 331 Q C 2.339 178.363 176.000 0.039 0.000 0.978 331 Q CA 1.304 57.134 55.803 0.046 0.000 0.844 331 Q CB -0.171 28.589 28.738 0.037 0.000 0.898 331 Q HN 0.425 nan 8.270 nan 0.000 0.426 332 R N -0.282 120.238 120.500 0.034 0.000 2.115 332 R HA -0.028 4.312 4.340 -0.000 0.000 0.230 332 R C 2.131 178.449 176.300 0.030 0.000 1.111 332 R CA 1.028 57.145 56.100 0.028 0.000 0.976 332 R CB 0.058 30.372 30.300 0.023 0.000 0.870 332 R HN 0.218 nan 8.270 nan 0.000 0.445 333 M N -0.450 119.165 119.600 0.025 0.000 2.288 333 M HA -0.063 4.417 4.480 -0.000 0.000 0.266 333 M C 2.062 178.397 176.300 0.058 0.000 1.072 333 M CA 1.328 56.637 55.300 0.016 0.000 1.132 333 M CB -0.586 31.994 32.600 -0.033 0.000 1.386 333 M HN 0.071 nan 8.290 nan 0.000 0.432 334 R N 0.080 120.617 120.500 0.062 0.000 2.081 334 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 334 R C 2.251 178.621 176.300 0.117 0.000 1.131 334 R CA 1.862 58.028 56.100 0.110 0.000 0.960 334 R CB -0.064 30.284 30.300 0.080 0.000 0.856 334 R HN 0.261 nan 8.270 nan 0.000 0.436 335 Q N 0.495 120.336 119.800 0.069 0.000 2.046 335 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 335 Q C 1.926 177.952 176.000 0.043 0.000 0.975 335 Q CA 1.449 57.278 55.803 0.042 0.000 0.836 335 Q CB -0.398 28.358 28.738 0.029 0.000 0.896 335 Q HN 0.337 nan 8.270 nan 0.000 0.428 336 L N -0.014 121.244 121.223 0.057 0.000 2.042 336 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 336 L C 2.046 178.971 176.870 0.092 0.000 1.076 336 L CA 1.811 56.684 54.840 0.055 0.000 0.749 336 L CB -0.988 41.099 42.059 0.048 0.000 0.893 336 L HN 0.397 nan 8.230 nan 0.000 0.432 337 F N -0.464 119.447 119.950 -0.066 0.000 2.069 337 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 337 F C 2.262 177.989 175.800 -0.123 0.000 1.113 337 F CA 2.045 59.986 58.000 -0.099 0.000 1.214 337 F CB -0.925 38.014 39.000 -0.102 0.000 0.978 337 F HN -0.055 nan 8.300 nan 0.000 0.474 338 V N 0.980 120.768 119.914 -0.209 0.000 2.343 338 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 338 V C 2.311 178.285 176.094 -0.199 0.000 1.051 338 V CA 2.139 64.250 62.300 -0.315 0.000 1.036 338 V CB -0.889 30.837 31.823 -0.162 0.000 0.654 338 V HN 0.349 nan 8.190 nan 0.000 0.451 339 N N 0.082 118.722 118.700 -0.099 0.000 2.120 339 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 339 N C 1.921 177.386 175.510 -0.075 0.000 1.024 339 N CA 1.936 54.947 53.050 -0.065 0.000 0.852 339 N CB -0.590 37.880 38.487 -0.028 0.000 1.003 339 N HN 0.454 nan 8.380 nan 0.000 0.424 340 T N 1.903 116.411 114.554 -0.076 0.000 2.821 340 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 340 T C 2.129 176.758 174.700 -0.118 0.000 1.046 340 T CA 0.445 62.507 62.100 -0.065 0.000 1.139 340 T CB -0.164 68.696 68.868 -0.013 0.000 0.871 340 T HN 0.136 nan 8.240 nan 0.000 0.454 341 L N 0.610 121.693 121.223 -0.233 0.000 2.042 341 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 341 L C 2.870 179.649 176.870 -0.152 0.000 1.076 341 L CA 1.227 55.892 54.840 -0.292 0.000 0.749 341 L CB -0.437 41.263 42.059 -0.599 0.000 0.893 341 L HN 0.183 nan 8.230 nan 0.000 0.432 342 Q N -0.329 119.408 119.800 -0.105 0.000 2.119 342 Q HA -0.213 4.126 4.340 -0.000 0.000 0.201 342 Q C 2.021 177.999 176.000 -0.036 0.000 0.972 342 Q CA 1.417 57.195 55.803 -0.042 0.000 0.847 342 Q CB -0.173 28.549 28.738 -0.026 0.000 0.903 342 Q HN 0.454 nan 8.270 nan 0.000 0.433 343 E N -0.016 120.158 120.200 -0.044 0.000 2.153 343 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 343 E C 0.816 177.398 176.600 -0.029 0.000 0.988 343 E CA 0.941 57.323 56.400 -0.030 0.000 0.811 343 E CB 0.155 29.838 29.700 -0.028 0.000 0.746 343 E HN -0.043 nan 8.360 nan 0.000 0.466 344 K N -0.670 119.704 120.400 -0.044 0.000 2.505 344 K HA 0.116 4.436 4.320 -0.000 0.000 0.192 344 K C 0.531 177.110 176.600 -0.034 0.000 1.025 344 K CA 0.712 56.974 56.287 -0.041 0.000 1.086 344 K CB 0.564 33.030 32.500 -0.058 0.000 0.840 344 K HN 0.325 nan 8.250 nan 0.000 0.514 345 G N -0.621 108.163 108.800 -0.026 0.000 2.134 345 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.209 345 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.209 345 G C 0.091 174.993 174.900 0.002 0.000 0.993 345 G CA -0.174 44.920 45.100 -0.010 0.000 0.669 345 G HN 0.433 nan 8.290 nan 0.000 0.519 346 A N 0.433 123.253 122.820 0.000 0.000 2.545 346 A HA 0.480 4.800 4.320 -0.000 0.000 0.253 346 A C 1.049 178.682 177.584 0.081 0.000 1.074 346 A CA 0.816 52.886 52.037 0.055 0.000 0.760 346 A CB -0.120 18.924 19.000 0.073 0.000 1.005 346 A HN 1.335 nan 8.150 nan 0.000 0.506 347 N N 2.182 120.932 118.700 0.084 0.000 2.484 347 N HA 0.179 4.919 4.740 -0.000 0.000 0.245 347 N C 0.018 175.562 175.510 0.056 0.000 1.184 347 N CA -0.075 53.010 53.050 0.058 0.000 0.884 347 N CB 0.140 38.653 38.487 0.043 0.000 1.182 347 N HN 0.692 nan 8.380 nan 0.000 0.493 348 R N -0.581 119.968 120.500 0.083 0.000 2.716 348 R HA 0.201 4.541 4.340 -0.000 0.000 0.271 348 R C -2.065 174.220 176.300 -0.025 0.000 1.028 348 R CA -0.759 55.334 56.100 -0.011 0.000 0.883 348 R CB 1.173 31.402 30.300 -0.117 0.000 1.250 348 R HN 0.169 nan 8.270 nan 0.000 0.465 349 D N 1.282 121.613 120.400 -0.116 0.000 2.317 349 D HA 0.221 4.861 4.640 -0.000 0.000 0.234 349 D C -0.662 175.515 176.300 -0.205 0.000 1.112 349 D CA -0.149 53.814 54.000 -0.061 0.000 0.840 349 D CB 0.494 41.298 40.800 0.007 0.000 1.078 349 D HN 0.395 nan 8.370 nan 0.000 0.486 350 F N 2.201 122.058 119.950 -0.155 0.000 2.684 350 F HA 0.189 4.716 4.527 -0.000 0.000 0.298 350 F C 2.116 177.538 175.800 -0.631 0.000 1.120 350 F CA -0.331 57.355 58.000 -0.523 0.000 1.332 350 F CB 0.316 38.986 39.000 -0.550 0.000 0.986 350 F HN 0.321 nan 8.300 nan 0.000 0.524 351 S N 0.626 116.234 115.700 -0.153 0.000 2.387 351 S HA -0.249 4.221 4.470 -0.000 0.000 0.230 351 S C 2.044 176.600 174.600 -0.074 0.000 1.035 351 S CA 1.790 59.945 58.200 -0.075 0.000 1.014 351 S CB -0.570 62.648 63.200 0.030 0.000 0.836 351 S HN 0.638 nan 8.310 nan 0.000 0.466 352 F N 1.267 121.253 119.950 0.059 0.000 2.287 352 F HA -0.060 4.467 4.527 -0.000 0.000 0.301 352 F C 1.659 177.519 175.800 0.101 0.000 1.069 352 F CA 0.592 58.640 58.000 0.079 0.000 1.372 352 F CB -0.978 38.060 39.000 0.064 0.000 1.056 352 F HN 0.132 nan 8.300 nan 0.000 0.523 353 I N 0.628 120.935 120.570 -0.439 0.000 2.361 353 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 353 I C 2.258 178.397 176.117 0.036 0.000 1.133 353 I CA 0.739 61.955 61.300 -0.140 0.000 1.413 353 I CB -0.458 37.419 38.000 -0.205 0.000 1.073 353 I HN 0.175 nan 8.210 nan 0.000 0.424 354 I N 1.449 122.026 120.570 0.011 0.000 2.614 354 I HA -0.225 3.945 4.170 -0.000 0.000 0.258 354 I C 2.803 178.970 176.117 0.084 0.000 1.189 354 I CA 1.380 62.710 61.300 0.049 0.000 1.462 354 I CB -1.533 36.486 38.000 0.031 0.000 1.092 354 I HN 0.247 nan 8.210 nan 0.000 0.442 355 K N 0.616 121.087 120.400 0.118 0.000 2.459 355 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 355 K C 1.075 177.765 176.600 0.150 0.000 1.030 355 K CA 0.206 56.573 56.287 0.133 0.000 1.026 355 K CB -0.598 31.997 32.500 0.157 0.000 0.809 355 K HN 0.433 nan 8.250 nan 0.000 0.504 356 Q N 0.447 120.348 119.800 0.168 0.000 2.293 356 Q HA 0.264 4.604 4.340 -0.000 0.000 0.251 356 Q C -0.840 175.238 176.000 0.131 0.000 0.930 356 Q CA -0.349 55.557 55.803 0.173 0.000 0.893 356 Q CB 0.947 29.812 28.738 0.212 0.000 1.215 356 Q HN 0.580 nan 8.270 nan 0.000 0.425 357 N N -0.004 118.772 118.700 0.127 0.000 2.430 357 N HA 0.664 5.404 4.740 -0.000 0.000 0.298 357 N C -0.238 175.305 175.510 0.054 0.000 1.130 357 N CA -0.028 53.085 53.050 0.105 0.000 0.894 357 N CB 1.652 40.221 38.487 0.136 0.000 1.209 357 N HN 0.749 nan 8.380 nan 0.000 0.503 358 G N 0.312 109.123 108.800 0.020 0.000 2.472 358 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.205 358 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.205 358 G C 0.245 175.000 174.900 -0.242 0.000 1.270 358 G CA -0.378 44.638 45.100 -0.140 0.000 0.974 358 G HN 0.463 nan 8.290 nan 0.000 0.542 359 M N -0.158 119.077 119.600 -0.609 0.000 2.510 359 M HA 0.340 4.820 4.480 -0.000 0.000 0.256 359 M C 0.506 176.408 176.300 -0.664 0.000 1.132 359 M CA 0.748 55.629 55.300 -0.697 0.000 1.105 359 M CB 0.146 32.138 32.600 -1.014 0.000 1.375 359 M HN 0.264 nan 8.290 nan 0.000 0.477 360 F N 0.356 120.238 119.950 -0.114 0.000 2.452 360 F HA 0.525 5.052 4.527 -0.000 0.000 0.353 360 F C 0.644 176.462 175.800 0.029 0.000 1.089 360 F CA -1.335 56.639 58.000 -0.042 0.000 1.080 360 F CB 0.788 39.767 39.000 -0.035 0.000 1.399 360 F HN -0.131 nan 8.300 nan 0.000 0.492 361 S N -0.125 115.780 115.700 0.342 0.000 2.592 361 S HA 0.426 4.896 4.470 -0.000 0.000 0.275 361 S C -1.485 173.362 174.600 0.412 0.000 1.169 361 S CA -0.651 57.742 58.200 0.322 0.000 0.958 361 S CB 0.598 63.959 63.200 0.268 0.000 1.095 361 S HN 0.396 nan 8.310 nan 0.000 0.471 362 F N 4.619 124.694 119.950 0.209 0.000 2.515 362 F HA 0.330 4.857 4.527 -0.000 0.000 0.353 362 F C 1.903 177.888 175.800 0.310 0.000 1.213 362 F CA -0.855 57.240 58.000 0.160 0.000 1.194 362 F CB 0.183 39.177 39.000 -0.010 0.000 1.488 362 F HN 0.902 nan 8.300 nan 0.000 0.619 363 S N 2.475 118.345 115.700 0.283 0.000 2.374 363 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 363 S C 1.930 176.736 174.600 0.343 0.000 1.037 363 S CA 1.295 59.709 58.200 0.357 0.000 1.024 363 S CB -0.743 62.611 63.200 0.258 0.000 0.861 363 S HN 1.348 nan 8.310 nan 0.000 0.456 364 G N -0.172 108.654 108.800 0.043 0.000 2.179 364 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 364 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 364 G C -0.197 174.722 174.900 0.031 0.000 0.990 364 G CA 0.006 45.118 45.100 0.020 0.000 0.646 364 G HN 0.507 nan 8.290 nan 0.000 0.517 365 L N 2.385 123.635 121.223 0.046 0.000 2.439 365 L HA 0.535 4.875 4.340 -0.000 0.000 0.269 365 L C 1.637 178.503 176.870 -0.007 0.000 1.179 365 L CA 0.693 55.562 54.840 0.048 0.000 0.828 365 L CB 0.679 42.776 42.059 0.063 0.000 1.106 365 L HN 0.456 nan 8.230 nan 0.000 0.467 366 T N -1.034 113.527 114.554 0.011 0.000 2.816 366 T HA 0.434 4.784 4.350 -0.000 0.000 0.282 366 T C 1.246 175.948 174.700 0.003 0.000 0.993 366 T CA -0.090 62.011 62.100 0.002 0.000 0.994 366 T CB 0.745 69.621 68.868 0.013 0.000 1.025 366 T HN 0.625 nan 8.240 nan 0.000 0.529 367 K N 0.553 120.954 120.400 0.002 0.000 2.097 367 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 367 K C 2.003 178.607 176.600 0.007 0.000 1.049 367 K CA 2.087 58.376 56.287 0.004 0.000 0.933 367 K CB -1.327 31.177 32.500 0.005 0.000 0.717 367 K HN 0.858 nan 8.250 nan 0.000 0.442 368 E N 0.713 120.919 120.200 0.011 0.000 2.153 368 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 368 E C 2.277 178.891 176.600 0.023 0.000 0.988 368 E CA 1.418 57.827 56.400 0.015 0.000 0.811 368 E CB -0.069 29.642 29.700 0.017 0.000 0.746 368 E HN 0.770 nan 8.360 nan 0.000 0.466 369 Q N 0.012 119.828 119.800 0.028 0.000 2.049 369 Q HA -0.045 4.295 4.340 -0.000 0.000 0.198 369 Q C 2.285 178.306 176.000 0.035 0.000 0.971 369 Q CA 1.225 57.052 55.803 0.040 0.000 0.833 369 Q CB -0.039 28.725 28.738 0.043 0.000 0.896 369 Q HN 0.155 nan 8.270 nan 0.000 0.434 370 V N 1.450 121.376 119.914 0.020 0.000 2.332 370 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 370 V C 2.219 178.308 176.094 -0.010 0.000 1.055 370 V CA 1.541 63.845 62.300 0.008 0.000 1.038 370 V CB -0.563 31.261 31.823 0.002 0.000 0.651 370 V HN 0.318 nan 8.190 nan 0.000 0.450 371 L N 0.388 121.607 121.223 -0.007 0.000 2.046 371 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 371 L C 2.517 179.377 176.870 -0.015 0.000 1.077 371 L CA 2.167 56.994 54.840 -0.022 0.000 0.747 371 L CB -0.697 41.356 42.059 -0.010 0.000 0.896 371 L HN 0.194 nan 8.230 nan 0.000 0.432 372 R N -0.877 119.639 120.500 0.026 0.000 2.092 372 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 372 R C 2.310 178.693 176.300 0.138 0.000 1.119 372 R CA 1.461 57.601 56.100 0.067 0.000 0.970 372 R CB -0.332 30.030 30.300 0.104 0.000 0.864 372 R HN 0.445 nan 8.270 nan 0.000 0.440 373 L N 0.289 121.593 121.223 0.134 0.000 2.042 373 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 373 L C 2.861 179.790 176.870 0.098 0.000 1.076 373 L CA 1.623 56.575 54.840 0.185 0.000 0.749 373 L CB -0.458 41.639 42.059 0.064 0.000 0.893 373 L HN 0.286 nan 8.230 nan 0.000 0.432 374 R N 0.395 120.842 120.500 -0.089 0.000 2.061 374 R HA -0.163 4.176 4.340 -0.000 0.000 0.230 374 R C 2.114 178.291 176.300 -0.205 0.000 1.140 374 R CA 1.749 57.645 56.100 -0.339 0.000 0.940 374 R CB -0.122 29.849 30.300 -0.547 0.000 0.839 374 R HN 0.371 nan 8.270 nan 0.000 0.429 375 E N -0.199 119.924 120.200 -0.128 0.000 2.107 375 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 375 E C 1.886 178.419 176.600 -0.110 0.000 0.982 375 E CA 1.190 57.536 56.400 -0.091 0.000 0.809 375 E CB 0.111 29.769 29.700 -0.070 0.000 0.756 375 E HN 0.432 nan 8.360 nan 0.000 0.459 376 E N -0.790 119.323 120.200 -0.145 0.000 2.140 376 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 376 E C 0.813 177.029 176.600 -0.640 0.000 0.973 376 E CA 0.622 56.784 56.400 -0.397 0.000 0.829 376 E CB 0.290 29.705 29.700 -0.475 0.000 0.781 376 E HN 0.155 nan 8.360 nan 0.000 0.466 377 F N -1.538 118.408 119.950 -0.007 0.000 2.728 377 F HA 0.353 4.880 4.527 -0.000 0.000 0.314 377 F C 1.210 177.037 175.800 0.046 0.000 1.094 377 F CA 0.281 58.291 58.000 0.016 0.000 1.217 377 F CB 1.494 40.504 39.000 0.017 0.000 1.056 377 F HN 0.068 nan 8.300 nan 0.000 0.577 378 G N 1.436 110.334 108.800 0.163 0.000 2.176 378 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 378 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 378 G C -0.250 174.864 174.900 0.357 0.000 1.024 378 G CA 0.178 45.422 45.100 0.240 0.000 0.755 378 G HN 0.163 nan 8.290 nan 0.000 0.507 379 V N 0.974 121.022 119.914 0.223 0.000 2.350 379 V HA 0.480 4.600 4.120 -0.000 0.000 0.276 379 V C -0.117 176.063 176.094 0.144 0.000 1.028 379 V CA -0.962 61.477 62.300 0.232 0.000 0.860 379 V CB 0.757 32.659 31.823 0.131 0.000 0.990 379 V HN 0.241 nan 8.190 nan 0.000 0.453 380 Y N 3.651 124.018 120.300 0.111 0.000 2.383 380 Y HA 0.696 5.246 4.550 -0.000 0.000 0.344 380 Y C 0.522 176.429 175.900 0.012 0.000 0.986 380 Y CA -0.264 57.882 58.100 0.077 0.000 1.175 380 Y CB 1.392 39.919 38.460 0.112 0.000 1.152 380 Y HN 0.727 nan 8.280 nan 0.000 0.511 381 A N 2.222 125.100 122.820 0.097 0.000 2.532 381 A HA 0.802 5.122 4.320 -0.000 0.000 0.290 381 A C -1.244 176.373 177.584 0.055 0.000 1.143 381 A CA -0.850 51.227 52.037 0.065 0.000 0.728 381 A CB 0.835 19.861 19.000 0.043 0.000 1.317 381 A HN 0.399 nan 8.150 nan 0.000 0.414 382 V N 1.350 121.292 119.914 0.047 0.000 2.686 382 V HA 0.334 4.454 4.120 -0.000 0.000 0.295 382 V C 1.764 177.875 176.094 0.028 0.000 1.055 382 V CA 0.634 62.955 62.300 0.035 0.000 1.050 382 V CB 1.051 32.886 31.823 0.019 0.000 0.984 382 V HN 1.309 nan 8.190 nan 0.000 0.482 383 A N 3.442 126.275 122.820 0.022 0.000 2.139 383 A HA -0.134 4.186 4.320 -0.000 0.000 0.221 383 A C 2.183 179.776 177.584 0.015 0.000 1.159 383 A CA 1.855 53.900 52.037 0.014 0.000 0.662 383 A CB -0.486 18.521 19.000 0.011 0.000 0.796 383 A HN 1.090 nan 8.150 nan 0.000 0.463 384 S N -2.242 113.479 115.700 0.036 0.000 2.562 384 S HA 0.368 4.838 4.470 -0.000 0.000 0.221 384 S C 1.390 175.954 174.600 -0.059 0.000 0.975 384 S CA 1.031 59.263 58.200 0.054 0.000 0.918 384 S CB -0.260 63.054 63.200 0.189 0.000 0.772 384 S HN 1.902 nan 8.310 nan 0.000 0.531 385 G N 1.247 110.026 108.800 -0.036 0.000 2.157 385 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.239 385 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.239 385 G C 0.033 174.937 174.900 0.007 0.000 0.982 385 G CA -0.029 45.026 45.100 -0.076 0.000 0.650 385 G HN 0.689 nan 8.290 nan 0.000 0.527 386 R N 0.277 120.841 120.500 0.107 0.000 2.389 386 R HA 0.527 4.867 4.340 -0.000 0.000 0.295 386 R C -0.423 175.953 176.300 0.126 0.000 1.075 386 R CA -0.108 56.101 56.100 0.182 0.000 1.005 386 R CB 0.724 31.069 30.300 0.075 0.000 0.987 386 R HN 0.085 nan 8.270 nan 0.000 0.452 387 V N 4.111 124.132 119.914 0.178 0.000 2.680 387 V HA 0.155 4.275 4.120 -0.000 0.000 0.309 387 V C -0.405 175.803 176.094 0.189 0.000 1.052 387 V CA -1.022 61.350 62.300 0.120 0.000 0.908 387 V CB 1.897 33.736 31.823 0.027 0.000 1.001 387 V HN 0.746 nan 8.190 nan 0.000 0.431 388 N N 3.327 122.102 118.700 0.126 0.000 2.521 388 N HA 0.183 4.923 4.740 -0.000 0.000 0.236 388 N C 0.623 176.061 175.510 -0.119 0.000 1.067 388 N CA -0.057 53.035 53.050 0.069 0.000 0.939 388 N CB 1.388 39.908 38.487 0.056 0.000 1.201 388 N HN 0.372 nan 8.380 nan 0.000 0.511 389 V N 3.044 122.865 119.914 -0.155 0.000 2.594 389 V HA -0.183 3.937 4.120 -0.000 0.000 0.253 389 V C 2.122 178.107 176.094 -0.183 0.000 1.069 389 V CA 2.003 64.177 62.300 -0.210 0.000 1.082 389 V CB -0.963 30.775 31.823 -0.142 0.000 0.680 389 V HN 0.771 nan 8.190 nan 0.000 0.469 390 A N 0.370 123.084 122.820 -0.177 0.000 2.172 390 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 390 A C 2.169 179.608 177.584 -0.241 0.000 1.154 390 A CA 1.370 53.309 52.037 -0.162 0.000 0.701 390 A CB -0.582 18.365 19.000 -0.087 0.000 0.789 390 A HN 0.548 nan 8.150 nan 0.000 0.465 391 G N -1.295 107.381 108.800 -0.207 0.000 2.939 391 G HA2 0.324 4.284 3.960 -0.000 0.000 0.210 391 G HA3 0.324 4.284 3.960 -0.000 0.000 0.210 391 G C 0.564 175.350 174.900 -0.190 0.000 1.160 391 G CA -0.331 44.646 45.100 -0.204 0.000 0.770 391 G HN 0.446 nan 8.290 nan 0.000 0.543 392 M N 1.976 121.457 119.600 -0.198 0.000 2.216 392 M HA 0.401 4.881 4.480 -0.000 0.000 0.356 392 M C 0.273 176.490 176.300 -0.137 0.000 1.205 392 M CA -0.093 55.102 55.300 -0.176 0.000 1.122 392 M CB 1.543 34.004 32.600 -0.232 0.000 1.571 392 M HN 0.103 nan 8.290 nan 0.000 0.464 393 T N -0.853 113.642 114.554 -0.099 0.000 2.901 393 T HA 0.499 4.849 4.350 -0.000 0.000 0.293 393 T C -2.519 172.155 174.700 -0.043 0.000 1.084 393 T CA -1.844 60.211 62.100 -0.074 0.000 1.008 393 T CB 1.847 70.673 68.868 -0.069 0.000 1.170 393 T HN 0.269 nan 8.240 nan 0.000 0.509 394 P HA -0.037 nan 4.420 nan 0.000 0.218 394 P C 0.781 178.075 177.300 -0.009 0.000 1.148 394 P CA 0.990 64.082 63.100 -0.013 0.000 0.822 394 P CB 0.047 31.741 31.700 -0.009 0.000 0.784 395 D N -1.129 119.264 120.400 -0.012 0.000 2.149 395 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 395 D C 1.347 177.646 176.300 -0.002 0.000 0.972 395 D CA 1.108 55.105 54.000 -0.005 0.000 0.835 395 D CB -0.655 40.143 40.800 -0.004 0.000 0.966 395 D HN 0.330 nan 8.370 nan 0.000 0.476 396 N N -0.312 118.382 118.700 -0.010 0.000 2.280 396 N HA -0.003 4.737 4.740 -0.000 0.000 0.192 396 N C 1.395 176.902 175.510 -0.007 0.000 1.109 396 N CA 0.067 53.115 53.050 -0.003 0.000 0.855 396 N CB -0.170 38.312 38.487 -0.007 0.000 0.974 396 N HN -0.038 nan 8.380 nan 0.000 0.482 397 M N 1.070 120.666 119.600 -0.007 0.000 2.080 397 M HA 0.082 4.562 4.480 -0.000 0.000 0.260 397 M C 1.942 178.255 176.300 0.022 0.000 1.068 397 M CA 1.557 56.863 55.300 0.009 0.000 1.109 397 M CB -0.659 31.953 32.600 0.020 0.000 1.342 397 M HN 0.283 nan 8.290 nan 0.000 0.405 398 A N 0.148 122.975 122.820 0.012 0.000 1.851 398 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 398 A C -0.163 177.423 177.584 0.003 0.000 1.195 398 A CA 1.908 53.950 52.037 0.007 0.000 0.622 398 A CB -2.320 16.683 19.000 0.006 0.000 0.831 398 A HN 0.458 nan 8.150 nan 0.000 0.444 399 P HA -0.157 nan 4.420 nan 0.000 0.215 399 P C 1.803 179.101 177.300 -0.002 0.000 1.153 399 P CA 0.958 64.068 63.100 0.017 0.000 0.853 399 P CB -0.140 31.584 31.700 0.039 0.000 0.788 400 L N -0.954 120.271 121.223 0.003 0.000 2.017 400 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 400 L C 1.899 178.759 176.870 -0.017 0.000 1.073 400 L CA 1.961 56.798 54.840 -0.005 0.000 0.745 400 L CB -0.799 41.256 42.059 -0.008 0.000 0.894 400 L HN 0.030 nan 8.230 nan 0.000 0.432 401 C N 0.110 119.413 119.300 0.005 0.000 2.450 401 C HA -0.091 4.369 4.460 -0.000 0.000 0.279 401 C C 2.482 177.412 174.990 -0.100 0.000 1.335 401 C CA 0.580 59.582 59.018 -0.027 0.000 1.749 401 C CB -0.773 26.952 27.740 -0.024 0.000 1.963 401 C HN 0.569 nan 8.230 nan 0.000 0.501 402 E N 1.085 121.229 120.200 -0.094 0.000 2.077 402 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 402 E C 2.351 178.795 176.600 -0.260 0.000 0.989 402 E CA 1.349 57.676 56.400 -0.122 0.000 0.800 402 E CB -0.206 29.454 29.700 -0.067 0.000 0.746 402 E HN 0.665 nan 8.360 nan 0.000 0.452 403 A N 0.986 123.595 122.820 -0.352 0.000 1.902 403 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 403 A C 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