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 1asm_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 VXAVL 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 0.000 176.118 176.300 -0.303 0.000 1.140 5 M CA 0.000 55.066 55.300 -0.390 0.000 0.988 5 M CB 0.000 32.170 32.600 -0.717 0.000 1.302 6 F N 1.465 121.415 119.950 0.000 0.000 2.754 6 F HA 0.290 4.815 4.527 -0.003 0.000 0.297 6 F C 1.564 177.363 175.800 -0.001 0.000 1.122 6 F CA 0.805 58.805 58.000 -0.000 0.000 1.400 6 F CB -0.767 38.233 39.000 0.000 0.000 1.117 6 F HN 0.186 nan 8.300 nan 0.000 0.587 7 E N 0.320 120.581 120.200 0.102 0.000 2.187 7 E HA -0.220 4.128 4.350 -0.003 0.000 0.199 7 E C 1.372 178.006 176.600 0.058 0.000 1.004 7 E CA 1.432 57.872 56.400 0.067 0.000 0.813 7 E CB -0.481 29.234 29.700 0.024 0.000 0.736 7 E HN 0.267 nan 8.360 nan 0.000 0.468 8 N N 0.154 118.888 118.700 0.056 0.000 2.336 8 N HA 0.093 4.831 4.740 -0.003 0.000 0.189 8 N C -0.092 175.450 175.510 0.054 0.000 1.113 8 N CA 0.095 53.172 53.050 0.044 0.000 0.858 8 N CB 0.341 38.845 38.487 0.029 0.000 0.970 8 N HN 0.209 nan 8.380 nan 0.000 0.471 9 I N 1.255 121.875 120.570 0.083 0.000 2.598 9 I HA -0.067 4.101 4.170 -0.003 0.000 0.284 9 I C 1.131 177.271 176.117 0.038 0.000 1.140 9 I CA 0.336 61.677 61.300 0.069 0.000 1.420 9 I CB 0.498 38.551 38.000 0.088 0.000 1.387 9 I HN -0.139 nan 8.210 nan 0.000 0.553 10 T N 5.635 120.204 114.554 0.024 0.000 2.910 10 T HA 0.461 4.809 4.350 -0.003 0.000 0.293 10 T C 0.198 174.901 174.700 0.004 0.000 1.015 10 T CA -0.714 61.394 62.100 0.013 0.000 1.094 10 T CB 0.647 69.520 68.868 0.008 0.000 0.968 10 T HN 0.681 nan 8.240 nan 0.000 0.521 11 A N 3.203 126.024 122.820 0.001 0.000 2.440 11 A HA 0.629 4.947 4.320 -0.003 0.000 0.251 11 A C 0.663 178.241 177.584 -0.010 0.000 1.089 11 A CA -0.243 51.791 52.037 -0.006 0.000 0.779 11 A CB -0.240 18.757 19.000 -0.004 0.000 1.022 11 A HN 1.189 nan 8.150 nan 0.000 0.492 12 A N 3.809 126.620 122.820 -0.016 0.000 2.340 12 A HA 0.661 4.979 4.320 -0.003 0.000 0.268 12 A C -1.569 176.004 177.584 -0.019 0.000 1.100 12 A CA -1.217 50.808 52.037 -0.020 0.000 0.803 12 A CB -0.407 18.577 19.000 -0.026 0.000 1.043 12 A HN 0.815 nan 8.150 nan 0.000 0.488 13 P HA 0.418 nan 4.420 nan 0.000 0.275 13 P C -0.080 177.206 177.300 -0.023 0.000 1.228 13 P CA -0.075 63.013 63.100 -0.020 0.000 0.786 13 P CB 0.865 32.551 31.700 -0.024 0.000 0.927 14 A N 2.109 124.920 122.820 -0.015 0.000 2.466 14 A HA 0.047 4.365 4.320 -0.003 0.000 0.238 14 A C 0.321 177.891 177.584 -0.024 0.000 1.074 14 A CA -0.158 51.872 52.037 -0.013 0.000 0.774 14 A CB -0.465 18.536 19.000 0.003 0.000 1.015 14 A HN 0.677 nan 8.150 nan 0.000 0.498 15 D N 1.271 121.655 120.400 -0.028 0.000 2.424 15 D HA 0.213 4.851 4.640 -0.003 0.000 0.244 15 D C -1.101 175.179 176.300 -0.034 0.000 1.134 15 D CA -0.878 53.094 54.000 -0.048 0.000 0.881 15 D CB 0.816 41.586 40.800 -0.050 0.000 1.191 15 D HN 0.272 nan 8.370 nan 0.000 0.445 16 P HA -0.097 nan 4.420 nan 0.000 0.228 16 P C 0.768 178.060 177.300 -0.013 0.000 1.151 16 P CA 1.086 64.166 63.100 -0.033 0.000 0.770 16 P CB 0.351 32.019 31.700 -0.054 0.000 0.786 17 I N -1.638 118.925 120.570 -0.012 0.000 3.570 17 I HA 0.018 4.186 4.170 -0.003 0.000 0.270 17 I C 2.366 178.503 176.117 0.034 0.000 1.162 17 I CA 0.102 61.415 61.300 0.022 0.000 1.413 17 I CB -0.272 37.756 38.000 0.046 0.000 1.437 17 I HN -0.250 nan 8.210 nan 0.000 0.457 18 L N 0.985 122.223 121.223 0.023 0.000 2.291 18 L HA -0.016 4.322 4.340 -0.003 0.000 0.214 18 L C 2.360 179.247 176.870 0.029 0.000 1.120 18 L CA 1.409 56.265 54.840 0.026 0.000 0.799 18 L CB -0.812 41.259 42.059 0.020 0.000 0.925 18 L HN 0.347 nan 8.230 nan 0.000 0.446 19 G N -0.371 108.447 108.800 0.030 0.000 2.494 19 G HA2 -0.151 3.808 3.960 -0.003 0.000 0.216 19 G HA3 -0.151 3.808 3.960 -0.003 0.000 0.216 19 G C 1.532 176.479 174.900 0.079 0.000 1.140 19 G CA -0.104 45.021 45.100 0.041 0.000 0.801 19 G HN 0.134 nan 8.290 nan 0.000 0.536 20 L N 1.500 122.778 121.223 0.092 0.000 2.079 20 L HA 0.043 4.381 4.340 -0.003 0.000 0.210 20 L C 3.105 180.088 176.870 0.189 0.000 1.081 20 L CA 1.891 56.830 54.840 0.165 0.000 0.752 20 L CB -0.470 41.671 42.059 0.136 0.000 0.896 20 L HN 0.242 nan 8.230 nan 0.000 0.433 21 A N -1.218 121.660 122.820 0.097 0.000 1.978 21 A HA -0.241 4.077 4.320 -0.003 0.000 0.220 21 A C 2.019 179.673 177.584 0.117 0.000 1.170 21 A CA 2.049 54.124 52.037 0.064 0.000 0.636 21 A CB -0.631 18.379 19.000 0.016 0.000 0.810 21 A HN 0.482 nan 8.150 nan 0.000 0.448 22 D N -0.232 120.230 120.400 0.104 0.000 2.120 22 D HA -0.027 4.612 4.640 -0.003 0.000 0.202 22 D C 1.998 178.366 176.300 0.112 0.000 0.972 22 D CA 0.641 54.694 54.000 0.089 0.000 0.837 22 D CB -0.276 40.559 40.800 0.059 0.000 0.989 22 D HN 0.369 nan 8.370 nan 0.000 0.469 23 L N -0.009 121.317 121.223 0.171 0.000 2.127 23 L HA -0.186 4.152 4.340 -0.003 0.000 0.211 23 L C 2.317 179.314 176.870 0.211 0.000 1.089 23 L CA 0.904 55.880 54.840 0.227 0.000 0.757 23 L CB -0.425 41.842 42.059 0.345 0.000 0.899 23 L HN 0.042 nan 8.230 nan 0.000 0.434 24 F N 1.076 120.997 119.950 -0.048 0.000 2.074 24 F HA -0.112 4.413 4.527 -0.003 0.000 0.293 24 F C 1.860 177.502 175.800 -0.263 0.000 1.116 24 F CA 0.992 58.693 58.000 -0.499 0.000 1.212 24 F CB -0.058 38.618 39.000 -0.540 0.000 0.998 24 F HN -0.189 nan 8.300 nan 0.000 0.471 25 R N 0.276 120.810 120.500 0.056 0.000 4.886 25 R HA 0.267 4.606 4.340 -0.003 0.000 0.181 25 R C 0.138 176.403 176.300 -0.058 0.000 1.989 25 R CA 0.637 56.733 56.100 -0.005 0.000 1.623 25 R CB -0.503 29.839 30.300 0.071 0.000 1.383 25 R HN 0.439 nan 8.270 nan 0.000 0.847 26 A N -0.044 122.696 122.820 -0.134 0.000 2.264 26 A HA -0.044 4.274 4.320 -0.003 0.000 0.150 26 A C -0.536 176.992 177.584 -0.094 0.000 1.931 26 A CA -0.420 51.570 52.037 -0.077 0.000 1.453 26 A CB 0.297 19.288 19.000 -0.015 0.000 1.599 26 A HN 0.458 nan 8.150 nan 0.000 0.338 27 D N 1.015 121.323 120.400 -0.154 0.000 2.274 27 D HA 0.246 4.885 4.640 -0.003 0.000 0.239 27 D C -0.764 175.436 176.300 -0.168 0.000 1.104 27 D CA -0.257 53.676 54.000 -0.112 0.000 0.840 27 D CB 1.174 41.947 40.800 -0.044 0.000 1.100 27 D HN 0.115 nan 8.370 nan 0.000 0.477 28 E N 2.346 122.481 120.200 -0.109 0.000 2.330 28 E HA 0.052 4.400 4.350 -0.003 0.000 0.210 28 E C 0.195 176.740 176.600 -0.091 0.000 1.256 28 E CA -0.130 56.207 56.400 -0.105 0.000 1.346 28 E CB 0.073 29.731 29.700 -0.071 0.000 1.308 28 E HN 0.367 nan 8.360 nan 0.000 0.441 29 R N 1.395 121.833 120.500 -0.103 0.000 2.539 29 R HA 0.092 4.430 4.340 -0.003 0.000 0.275 29 R C -1.058 175.193 176.300 -0.082 0.000 1.077 29 R CA -1.175 54.884 56.100 -0.069 0.000 1.097 29 R CB 0.500 30.774 30.300 -0.044 0.000 1.018 29 R HN 0.009 nan 8.270 nan 0.000 0.483 30 P HA -0.093 nan 4.420 nan 0.000 0.213 30 P C 0.721 178.007 177.300 -0.024 0.000 1.170 30 P CA 1.213 64.292 63.100 -0.036 0.000 0.889 30 P CB 0.104 31.794 31.700 -0.017 0.000 0.782 31 G N 1.113 109.915 108.800 0.004 0.000 3.496 31 G HA2 0.078 4.036 3.960 -0.003 0.000 0.273 31 G HA3 0.078 4.036 3.960 -0.003 0.000 0.273 31 G C 0.362 175.296 174.900 0.056 0.000 1.279 31 G CA -0.456 44.662 45.100 0.030 0.000 1.041 31 G HN 0.397 nan 8.290 nan 0.000 0.539 32 K N 0.308 120.717 120.400 0.016 0.000 2.412 32 K HA 0.274 4.592 4.320 -0.003 0.000 0.281 32 K C -0.590 176.142 176.600 0.220 0.000 1.027 32 K CA -0.040 56.276 56.287 0.049 0.000 0.989 32 K CB 1.031 33.379 32.500 -0.254 0.000 0.935 32 K HN 0.052 nan 8.250 nan 0.000 0.475 33 I N 2.746 123.516 120.570 0.334 0.000 2.359 33 I HA 0.079 4.247 4.170 -0.003 0.000 0.284 33 I C -0.494 175.783 176.117 0.268 0.000 1.018 33 I CA -0.945 60.525 61.300 0.283 0.000 1.173 33 I CB 1.191 39.280 38.000 0.148 0.000 1.326 33 I HN 0.709 nan 8.210 nan 0.000 0.462 34 N N 7.059 125.693 118.700 -0.110 0.000 2.401 34 N HA 0.263 5.001 4.740 -0.003 0.000 0.255 34 N C -0.046 175.322 175.510 -0.238 0.000 1.110 34 N CA -0.060 52.648 53.050 -0.571 0.000 0.949 34 N CB 0.609 38.188 38.487 -1.514 0.000 1.110 34 N HN 0.609 nan 8.380 nan 0.000 0.490 35 L N 2.440 123.622 121.223 -0.069 0.000 3.066 35 L HA 0.439 4.777 4.340 -0.003 0.000 0.265 35 L C 0.593 177.469 176.870 0.011 0.000 1.232 35 L CA -0.514 54.300 54.840 -0.043 0.000 1.031 35 L CB 0.552 42.594 42.059 -0.028 0.000 1.379 35 L HN 0.567 nan 8.230 nan 0.000 0.563 36 G N 1.209 110.005 108.800 -0.007 0.000 2.805 36 G HA2 0.662 4.620 3.960 -0.003 0.000 0.283 36 G HA3 0.662 4.620 3.960 -0.003 0.000 0.283 36 G C -0.900 174.010 174.900 0.016 0.000 1.508 36 G CA -0.393 44.731 45.100 0.040 0.000 1.042 36 G HN 0.072 nan 8.290 nan 0.000 0.543 37 I N 0.830 121.451 120.570 0.086 0.000 2.381 37 I HA 0.018 4.186 4.170 -0.003 0.000 0.314 37 I C 0.323 176.525 176.117 0.141 0.000 2.999 37 I CA -0.436 60.922 61.300 0.097 0.000 1.070 37 I CB 0.069 38.073 38.000 0.006 0.000 2.576 37 I HN 0.732 nan 8.210 nan 0.000 0.680 38 G N 7.198 116.149 108.800 0.251 0.000 3.197 38 G HA2 0.467 4.425 3.960 -0.003 0.000 0.257 38 G HA3 0.467 4.425 3.960 -0.003 0.000 0.257 38 G C -0.071 174.836 174.900 0.011 0.000 0.835 38 G CA 0.357 45.581 45.100 0.207 0.000 2.001 38 G HN 0.824 nan 8.290 nan 0.000 0.625 39 V N -1.167 118.658 119.914 -0.149 0.000 2.581 39 V HA 0.648 4.766 4.120 -0.003 0.000 0.303 39 V C -0.338 175.717 176.094 -0.065 0.000 1.041 39 V CA -2.006 60.056 62.300 -0.396 0.000 0.907 39 V CB 1.267 32.726 31.823 -0.606 0.000 0.994 39 V HN 0.288 nan 8.190 nan 0.000 0.442 40 Y N 3.204 123.527 120.300 0.038 0.000 2.336 40 Y HA 0.654 5.202 4.550 -0.004 0.000 0.331 40 Y C 0.017 175.935 175.900 0.030 0.000 1.211 40 Y CA -0.043 58.105 58.100 0.080 0.000 1.346 40 Y CB 1.220 39.817 38.460 0.228 0.000 1.271 40 Y HN 0.819 nan 8.280 nan 0.000 0.538 41 K N 4.012 123.906 120.400 -0.843 0.000 2.422 41 K HA 0.276 4.594 4.320 -0.003 0.000 0.251 41 K C -1.231 174.762 176.600 -1.011 0.000 0.933 41 K CA -0.765 55.129 56.287 -0.655 0.000 0.798 41 K CB 1.127 33.409 32.500 -0.363 0.000 1.238 41 K HN 0.766 nan 8.250 nan 0.000 0.428 42 D N 0.641 120.717 120.400 -0.539 0.000 2.529 42 D HA 0.111 4.750 4.640 -0.003 0.000 0.273 42 D C 0.342 176.541 176.300 -0.168 0.000 1.197 42 D CA -0.312 53.507 54.000 -0.303 0.000 1.070 42 D CB 0.429 41.211 40.800 -0.030 0.000 1.134 42 D HN 0.408 nan 8.370 nan 0.000 0.590 43 E N -1.150 119.006 120.200 -0.073 0.000 2.219 43 E HA -0.154 4.194 4.350 -0.003 0.000 0.198 43 E C 1.619 178.190 176.600 -0.047 0.000 0.998 43 E CA 2.057 58.428 56.400 -0.049 0.000 0.818 43 E CB -0.796 28.894 29.700 -0.016 0.000 0.741 43 E HN 0.685 nan 8.360 nan 0.000 0.477 44 T N -3.541 110.986 114.554 -0.046 0.000 3.107 44 T HA 0.352 4.700 4.350 -0.003 0.000 0.249 44 T C 1.470 176.143 174.700 -0.046 0.000 1.096 44 T CA 0.232 62.311 62.100 -0.035 0.000 1.012 44 T CB 0.253 69.110 68.868 -0.019 0.000 0.977 44 T HN 0.322 nan 8.240 nan 0.000 0.527 45 G N 0.502 109.255 108.800 -0.078 0.000 2.132 45 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.234 45 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.234 45 G C -0.196 174.651 174.900 -0.089 0.000 0.989 45 G CA 0.204 45.252 45.100 -0.087 0.000 0.676 45 G HN 0.812 nan 8.290 nan 0.000 0.522 46 K N -0.209 120.138 120.400 -0.089 0.000 2.433 46 K HA 0.785 5.103 4.320 -0.003 0.000 0.252 46 K C -0.262 176.304 176.600 -0.056 0.000 1.015 46 K CA -0.344 55.905 56.287 -0.063 0.000 0.860 46 K CB 1.252 33.739 32.500 -0.021 0.000 1.359 46 K HN -0.001 nan 8.250 nan 0.000 0.452 47 T N 3.983 118.535 114.554 -0.002 0.000 3.145 47 T HA 0.364 4.713 4.350 -0.003 0.000 0.362 47 T C -2.318 172.460 174.700 0.131 0.000 1.340 47 T CA -1.161 60.997 62.100 0.097 0.000 1.069 47 T CB 0.429 69.337 68.868 0.067 0.000 1.129 47 T HN 0.405 nan 8.240 nan 0.000 0.585 48 P HA 0.324 nan 4.420 nan 0.000 0.276 48 P C -0.392 176.994 177.300 0.144 0.000 1.244 48 P CA -0.507 62.664 63.100 0.119 0.000 0.801 48 P CB 0.951 32.715 31.700 0.107 0.000 1.006 49 V N 2.982 122.963 119.914 0.112 0.000 2.470 49 V HA -0.014 4.104 4.120 -0.003 0.000 0.276 49 V C 1.099 177.253 176.094 0.100 0.000 1.040 49 V CA -0.388 61.978 62.300 0.110 0.000 1.008 49 V CB -0.127 31.749 31.823 0.088 0.000 0.990 49 V HN 0.397 nan 8.190 nan 0.000 0.477 50 L N 4.743 126.029 121.223 0.105 0.000 2.529 50 L HA 0.008 4.346 4.340 -0.003 0.000 0.287 50 L C 1.983 178.898 176.870 0.076 0.000 1.241 50 L CA 1.402 56.292 54.840 0.085 0.000 0.857 50 L CB 0.510 42.622 42.059 0.088 0.000 1.113 50 L HN 0.935 nan 8.230 nan 0.000 0.504 51 T N -1.821 112.768 114.554 0.057 0.000 2.857 51 T HA -0.131 4.217 4.350 -0.003 0.000 0.266 51 T C 1.836 176.573 174.700 0.061 0.000 1.048 51 T CA 1.223 63.354 62.100 0.052 0.000 1.139 51 T CB -0.219 68.670 68.868 0.036 0.000 0.874 51 T HN 0.730 nan 8.240 nan 0.000 0.455 52 S N 0.994 116.739 115.700 0.074 0.000 2.400 52 S HA -0.068 4.400 4.470 -0.003 0.000 0.232 52 S C 2.018 176.668 174.600 0.083 0.000 1.025 52 S CA 1.225 59.479 58.200 0.089 0.000 0.993 52 S CB -1.006 62.282 63.200 0.147 0.000 0.808 52 S HN 0.412 nan 8.310 nan 0.000 0.478 53 V N 1.992 121.964 119.914 0.097 0.000 2.323 53 V HA -0.071 4.047 4.120 -0.003 0.000 0.244 53 V C 2.785 178.927 176.094 0.080 0.000 1.041 53 V CA 1.523 63.878 62.300 0.092 0.000 1.025 53 V CB -0.560 31.334 31.823 0.120 0.000 0.656 53 V HN 0.349 nan 8.190 nan 0.000 0.451 54 K N 0.233 120.680 120.400 0.079 0.000 2.063 54 K HA -0.155 4.163 4.320 -0.003 0.000 0.208 54 K C 2.189 178.832 176.600 0.072 0.000 1.048 54 K CA 1.241 57.572 56.287 0.074 0.000 0.928 54 K CB -0.356 32.181 32.500 0.062 0.000 0.713 54 K HN 0.317 nan 8.250 nan 0.000 0.442 55 K N 0.411 120.850 120.400 0.066 0.000 2.001 55 K HA -0.036 4.283 4.320 -0.003 0.000 0.208 55 K C 2.153 178.802 176.600 0.083 0.000 1.048 55 K CA 1.262 57.591 56.287 0.069 0.000 0.932 55 K CB -0.419 32.116 32.500 0.059 0.000 0.715 55 K HN 0.116 nan 8.250 nan 0.000 0.437 56 A N 1.582 124.429 122.820 0.045 0.000 1.933 56 A HA -0.184 4.135 4.320 -0.003 0.000 0.218 56 A C 2.007 179.620 177.584 0.048 0.000 1.175 56 A CA 1.581 53.617 52.037 -0.002 0.000 0.628 56 A CB -0.390 18.566 19.000 -0.074 0.000 0.814 56 A HN 0.400 nan 8.150 nan 0.000 0.444 57 E N -0.937 119.302 120.200 0.065 0.000 2.150 57 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 57 E C 2.191 178.861 176.600 0.116 0.000 0.985 57 E CA 1.172 57.631 56.400 0.099 0.000 0.814 57 E CB -0.090 29.705 29.700 0.158 0.000 0.752 57 E HN 0.815 nan 8.360 nan 0.000 0.466 58 Q N -0.149 119.717 119.800 0.109 0.000 2.049 58 Q HA -0.196 4.142 4.340 -0.003 0.000 0.198 58 Q C 1.993 178.049 176.000 0.093 0.000 0.971 58 Q CA 1.052 56.906 55.803 0.086 0.000 0.833 58 Q CB -0.145 28.635 28.738 0.070 0.000 0.896 58 Q HN 0.290 nan 8.270 nan 0.000 0.434 59 Y N 0.702 120.999 120.300 -0.006 0.000 2.102 59 Y HA -0.314 4.234 4.550 -0.003 0.000 0.280 59 Y C 1.680 177.565 175.900 -0.026 0.000 1.178 59 Y CA 1.522 59.611 58.100 -0.017 0.000 1.146 59 Y CB -0.347 38.097 38.460 -0.025 0.000 0.968 59 Y HN 0.180 nan 8.280 nan 0.000 0.504 60 L N -0.024 121.365 121.223 0.278 0.000 2.046 60 L HA -0.241 4.098 4.340 -0.003 0.000 0.208 60 L C 2.602 179.505 176.870 0.056 0.000 1.077 60 L CA 1.430 56.363 54.840 0.155 0.000 0.747 60 L CB -1.659 40.418 42.059 0.031 0.000 0.896 60 L HN 0.410 nan 8.230 nan 0.000 0.432 61 L N -0.416 120.838 121.223 0.053 0.000 2.012 61 L HA -0.254 4.084 4.340 -0.003 0.000 0.210 61 L C 2.476 179.335 176.870 -0.018 0.000 1.073 61 L CA 1.735 56.591 54.840 0.027 0.000 0.748 61 L CB -0.217 41.864 42.059 0.036 0.000 0.891 61 L HN 0.420 nan 8.230 nan 0.000 0.431 62 E N -0.172 119.996 120.200 -0.054 0.000 2.051 62 E HA -0.229 4.119 4.350 -0.003 0.000 0.192 62 E C 1.625 178.149 176.600 -0.127 0.000 0.991 62 E CA 1.780 58.120 56.400 -0.099 0.000 0.799 62 E CB -0.148 29.462 29.700 -0.150 0.000 0.748 62 E HN 0.658 nan 8.360 nan 0.000 0.449 63 N N 0.136 118.729 118.700 -0.179 0.000 2.422 63 N HA 0.008 4.746 4.740 -0.003 0.000 0.181 63 N C 0.372 175.849 175.510 -0.056 0.000 1.080 63 N CA -0.012 52.938 53.050 -0.167 0.000 0.893 63 N CB 0.371 38.652 38.487 -0.343 0.000 0.973 63 N HN 0.109 nan 8.380 nan 0.000 0.456 67 T N 0.450 114.994 114.554 -0.017 0.000 2.889 67 T HA 0.571 4.920 4.350 -0.003 0.000 0.315 67 T C -1.346 173.335 174.700 -0.032 0.000 1.291 67 T CA -0.589 61.496 62.100 -0.025 0.000 1.028 67 T CB 2.201 71.056 68.868 -0.021 0.000 1.235 67 T HN 0.102 nan 8.240 nan 0.000 0.491 68 K N 1.653 122.022 120.400 -0.052 0.000 2.455 68 K HA 0.256 4.574 4.320 -0.003 0.000 0.206 68 K C 0.648 177.176 176.600 -0.120 0.000 1.027 68 K CA -0.237 56.007 56.287 -0.070 0.000 1.113 68 K CB 0.179 32.639 32.500 -0.066 0.000 0.850 68 K HN 0.522 nan 8.250 nan 0.000 0.503 69 N N 0.783 119.424 118.700 -0.098 0.000 2.353 69 N HA -0.107 4.631 4.740 -0.003 0.000 0.248 69 N C -0.697 174.777 175.510 -0.060 0.000 1.240 69 N CA -0.088 52.898 53.050 -0.106 0.000 0.862 69 N CB 0.355 38.829 38.487 -0.021 0.000 1.086 69 N HN -0.037 nan 8.380 nan 0.000 0.453 70 Y N 2.331 122.637 120.300 0.010 0.000 2.895 70 Y HA -0.080 4.468 4.550 -0.003 0.000 0.334 70 Y C 0.929 176.838 175.900 0.014 0.000 1.261 70 Y CA 0.265 58.373 58.100 0.014 0.000 1.560 70 Y CB 0.229 38.699 38.460 0.017 0.000 1.253 70 Y HN 0.301 nan 8.280 nan 0.000 0.582 71 L N 2.261 123.605 121.223 0.202 0.000 2.482 71 L HA 0.386 4.724 4.340 -0.003 0.000 0.242 71 L C 1.223 178.165 176.870 0.120 0.000 1.210 71 L CA -0.416 54.496 54.840 0.119 0.000 0.819 71 L CB 0.166 42.272 42.059 0.079 0.000 1.203 71 L HN 0.792 nan 8.230 nan 0.000 0.495 72 G N -0.546 108.307 108.800 0.089 0.000 2.507 72 G HA2 0.343 4.301 3.960 -0.003 0.000 0.271 72 G HA3 0.343 4.301 3.960 -0.003 0.000 0.271 72 G C 0.835 175.782 174.900 0.079 0.000 1.189 72 G CA -0.567 44.578 45.100 0.074 0.000 0.859 72 G HN 0.643 nan 8.290 nan 0.000 0.542 73 I N 0.352 120.952 120.570 0.050 0.000 2.381 73 I HA -0.208 3.961 4.170 -0.003 0.000 0.255 73 I C 1.947 178.114 176.117 0.083 0.000 1.140 73 I CA 1.635 62.951 61.300 0.027 0.000 1.404 73 I CB 0.046 38.026 38.000 -0.032 0.000 1.075 73 I HN 0.601 nan 8.210 nan 0.000 0.433 74 D N -0.227 120.259 120.400 0.143 0.000 2.349 74 D HA 0.188 4.826 4.640 -0.003 0.000 0.214 74 D C 1.125 177.551 176.300 0.211 0.000 1.063 74 D CA 0.807 54.946 54.000 0.233 0.000 0.847 74 D CB 0.162 41.208 40.800 0.409 0.000 0.933 74 D HN 0.364 nan 8.370 nan 0.000 0.513 75 G N 1.039 109.927 108.800 0.147 0.000 2.481 75 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.230 75 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.230 75 G C -0.721 174.231 174.900 0.087 0.000 1.210 75 G CA -0.279 44.882 45.100 0.100 0.000 0.936 75 G HN 0.264 nan 8.290 nan 0.000 0.583 76 I N 3.380 123.994 120.570 0.073 0.000 2.315 76 I HA 0.295 4.463 4.170 -0.003 0.000 0.291 76 I C -0.946 175.252 176.117 0.135 0.000 1.006 76 I CA -1.996 59.346 61.300 0.071 0.000 1.265 76 I CB 2.081 40.089 38.000 0.013 0.000 1.387 76 I HN 0.314 nan 8.210 nan 0.000 0.475 77 P HA -0.236 nan 4.420 nan 0.000 0.214 77 P C 1.354 178.679 177.300 0.041 0.000 1.163 77 P CA 1.342 64.474 63.100 0.053 0.000 0.889 77 P CB 0.302 32.018 31.700 0.026 0.000 0.790 78 E N -1.523 118.697 120.200 0.033 0.000 2.204 78 E HA -0.170 4.178 4.350 -0.003 0.000 0.194 78 E C 1.784 178.387 176.600 0.005 0.000 0.989 78 E CA 0.470 56.871 56.400 0.002 0.000 0.824 78 E CB -0.794 28.895 29.700 -0.019 0.000 0.756 78 E HN 0.080 nan 8.360 nan 0.000 0.477 79 F N 0.275 120.170 119.950 -0.092 0.000 2.051 79 F HA -0.002 4.523 4.527 -0.003 0.000 0.296 79 F C 2.057 177.823 175.800 -0.056 0.000 1.122 79 F CA 2.110 60.042 58.000 -0.112 0.000 1.201 79 F CB -0.922 38.014 39.000 -0.106 0.000 0.978 79 F HN 0.077 nan 8.300 nan 0.000 0.472 80 G N 0.006 108.783 108.800 -0.037 0.000 2.446 80 G HA2 -0.355 3.603 3.960 -0.003 0.000 0.217 80 G HA3 -0.355 3.603 3.960 -0.003 0.000 0.217 80 G C 1.834 176.643 174.900 -0.151 0.000 1.168 80 G CA 0.969 45.998 45.100 -0.119 0.000 0.771 80 G HN 0.400 nan 8.290 nan 0.000 0.551 81 R N -0.728 119.715 120.500 -0.095 0.000 2.096 81 R HA -0.037 4.301 4.340 -0.003 0.000 0.235 81 R C 2.522 178.760 176.300 -0.104 0.000 1.127 81 R CA 1.564 57.617 56.100 -0.078 0.000 0.968 81 R CB -0.604 29.666 30.300 -0.049 0.000 0.861 81 R HN 0.363 nan 8.270 nan 0.000 0.440 82 C N -0.375 118.837 119.300 -0.146 0.000 2.450 82 C HA 0.011 4.469 4.460 -0.003 0.000 0.279 82 C C 2.469 177.348 174.990 -0.185 0.000 1.335 82 C CA 1.129 60.053 59.018 -0.156 0.000 1.749 82 C CB -0.589 27.046 27.740 -0.175 0.000 1.963 82 C HN 0.605 nan 8.230 nan 0.000 0.501 83 T N 0.607 114.992 114.554 -0.282 0.000 2.708 83 T HA -0.225 4.123 4.350 -0.003 0.000 0.266 83 T C 1.769 176.326 174.700 -0.239 0.000 1.037 83 T CA 1.462 63.404 62.100 -0.264 0.000 1.146 83 T CB -0.333 68.293 68.868 -0.403 0.000 0.865 83 T HN 0.634 nan 8.240 nan 0.000 0.435 84 Q N 0.709 120.391 119.800 -0.196 0.000 2.096 84 Q HA -0.170 4.168 4.340 -0.003 0.000 0.204 84 Q C 2.379 178.307 176.000 -0.119 0.000 0.982 84 Q CA 1.531 57.242 55.803 -0.153 0.000 0.850 84 Q CB -0.199 28.568 28.738 0.048 0.000 0.901 84 Q HN 0.643 nan 8.270 nan 0.000 0.422 85 E N 0.382 120.542 120.200 -0.065 0.000 2.150 85 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 85 E C 2.003 178.568 176.600 -0.058 0.000 0.985 85 E CA 0.492 56.876 56.400 -0.028 0.000 0.814 85 E CB -0.002 29.686 29.700 -0.019 0.000 0.752 85 E HN 0.326 nan 8.360 nan 0.000 0.466 86 L N 0.367 121.531 121.223 -0.099 0.000 2.056 86 L HA -0.194 4.144 4.340 -0.003 0.000 0.207 86 L C 2.149 178.939 176.870 -0.133 0.000 1.078 86 L CA 0.631 55.423 54.840 -0.081 0.000 0.749 86 L CB -0.102 41.918 42.059 -0.065 0.000 0.901 86 L HN 0.211 nan 8.230 nan 0.000 0.433 87 L N -1.223 119.829 121.223 -0.284 0.000 2.007 87 L HA -0.150 4.188 4.340 -0.003 0.000 0.205 87 L C 2.186 178.816 176.870 -0.400 0.000 1.073 87 L CA 2.002 56.564 54.840 -0.463 0.000 0.744 87 L CB -1.027 40.428 42.059 -1.007 0.000 0.898 87 L HN 0.073 nan 8.230 nan 0.000 0.435 88 F N -1.195 118.733 119.950 -0.037 0.000 2.317 88 F HA 0.398 4.924 4.527 -0.003 0.000 0.290 88 F C 1.805 177.587 175.800 -0.029 0.000 1.075 88 F CA 0.547 58.520 58.000 -0.045 0.000 1.380 88 F CB -0.708 38.263 39.000 -0.048 0.000 1.093 88 F HN 0.155 nan 8.300 nan 0.000 0.524 89 G N -0.367 108.506 108.800 0.122 0.000 2.276 89 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.177 89 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.177 89 G C -0.193 174.736 174.900 0.049 0.000 1.017 89 G CA -0.476 44.666 45.100 0.070 0.000 0.750 89 G HN 0.102 nan 8.290 nan 0.000 0.506 90 K N -0.793 119.635 120.400 0.046 0.000 6.244 90 K HA -0.019 4.299 4.320 -0.003 0.000 0.672 90 K C 1.207 177.823 176.600 0.026 0.000 1.917 90 K CA 1.463 57.767 56.287 0.028 0.000 1.561 90 K CB -1.054 31.456 32.500 0.017 0.000 1.816 90 K HN 2.151 nan 8.250 nan 0.000 0.310 91 G N 1.711 110.524 108.800 0.022 0.000 3.110 91 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.238 91 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.238 91 G C -0.118 174.793 174.900 0.019 0.000 1.647 91 G CA 0.463 45.572 45.100 0.015 0.000 1.146 91 G HN 1.786 nan 8.290 nan 0.000 0.545 92 S N 0.002 115.716 115.700 0.023 0.000 4.245 92 S HA 0.170 4.638 4.470 -0.003 0.000 0.783 92 S C 1.609 176.197 174.600 -0.019 0.000 1.082 92 S CA 1.303 59.513 58.200 0.017 0.000 1.191 92 S CB -0.773 62.470 63.200 0.073 0.000 1.971 92 S HN 2.474 nan 8.310 nan 0.000 0.351 93 A N 5.269 128.063 122.820 -0.044 0.000 1.978 93 A HA -0.030 4.289 4.320 -0.003 0.000 0.220 93 A C 1.938 179.465 177.584 -0.095 0.000 1.170 93 A CA 1.893 53.895 52.037 -0.059 0.000 0.636 93 A CB -0.447 18.521 19.000 -0.054 0.000 0.810 93 A HN 0.971 nan 8.150 nan 0.000 0.448 94 L N -0.545 120.574 121.223 -0.173 0.000 2.275 94 L HA -0.080 4.258 4.340 -0.003 0.000 0.215 94 L C 2.136 178.922 176.870 -0.140 0.000 1.119 94 L CA 1.045 55.744 54.840 -0.236 0.000 0.790 94 L CB -0.480 41.250 42.059 -0.549 0.000 0.919 94 L HN 0.389 nan 8.230 nan 0.000 0.443 95 I N -0.808 119.719 120.570 -0.071 0.000 2.270 95 I HA -0.159 4.009 4.170 -0.003 0.000 0.239 95 I C 1.916 178.019 176.117 -0.023 0.000 1.080 95 I CA 1.098 62.391 61.300 -0.011 0.000 1.383 95 I CB -0.336 37.687 38.000 0.038 0.000 1.097 95 I HN 0.246 nan 8.210 nan 0.000 0.420 96 N N 0.778 119.464 118.700 -0.023 0.000 2.289 96 N HA -0.164 4.575 4.740 -0.003 0.000 0.184 96 N C 0.606 176.100 175.510 -0.027 0.000 1.016 96 N CA 0.895 53.932 53.050 -0.021 0.000 0.872 96 N CB 0.049 38.526 38.487 -0.017 0.000 0.973 96 N HN 0.286 nan 8.380 nan 0.000 0.433 97 D N 0.672 121.050 120.400 -0.037 0.000 2.328 97 D HA 0.025 4.663 4.640 -0.003 0.000 0.226 97 D C 0.105 176.383 176.300 -0.037 0.000 1.066 97 D CA 0.311 54.290 54.000 -0.036 0.000 0.861 97 D CB 0.248 41.023 40.800 -0.042 0.000 0.912 97 D HN -0.007 nan 8.370 nan 0.000 0.521 98 K N -0.025 120.351 120.400 -0.040 0.000 3.035 98 K HA -0.257 4.061 4.320 -0.003 0.000 0.262 98 K C 1.034 177.606 176.600 -0.047 0.000 1.024 98 K CA 0.229 56.490 56.287 -0.042 0.000 0.748 98 K CB -1.449 31.030 32.500 -0.036 0.000 1.247 98 K HN 0.289 nan 8.250 nan 0.000 0.482 99 R N -0.010 120.455 120.500 -0.059 0.000 2.153 99 R HA 0.074 4.412 4.340 -0.003 0.000 0.218 99 R C 0.942 177.210 176.300 -0.053 0.000 1.072 99 R CA 1.202 57.266 56.100 -0.060 0.000 0.990 99 R CB 0.301 30.549 30.300 -0.088 0.000 0.889 99 R HN 0.358 nan 8.270 nan 0.000 0.452 100 A N 0.429 123.216 122.820 -0.054 0.000 2.320 100 A HA 0.653 4.971 4.320 -0.003 0.000 0.334 100 A C -0.777 176.765 177.584 -0.069 0.000 1.147 100 A CA -0.679 51.352 52.037 -0.010 0.000 0.820 100 A CB 1.006 20.064 19.000 0.096 0.000 1.218 100 A HN 0.034 nan 8.150 nan 0.000 0.482 101 R N 0.688 121.124 120.500 -0.107 0.000 2.628 101 R HA 0.608 4.946 4.340 -0.003 0.000 0.288 101 R C -1.392 174.796 176.300 -0.187 0.000 0.980 101 R CA -0.375 55.495 56.100 -0.383 0.000 0.891 101 R CB 1.867 31.622 30.300 -0.909 0.000 1.188 101 R HN 0.724 nan 8.270 nan 0.000 0.450 102 T N 1.145 115.608 114.554 -0.151 0.000 2.807 102 T HA 0.643 4.991 4.350 -0.003 0.000 0.279 102 T C -0.575 174.283 174.700 0.264 0.000 0.993 102 T CA -0.563 61.592 62.100 0.092 0.000 0.970 102 T CB 1.856 70.733 68.868 0.015 0.000 0.950 102 T HN 0.614 nan 8.240 nan 0.000 0.441 103 A N 2.907 125.965 122.820 0.398 0.000 2.330 103 A HA 0.619 4.937 4.320 -0.003 0.000 0.327 103 A C -0.045 177.728 177.584 0.315 0.000 1.155 103 A CA -0.730 51.542 52.037 0.392 0.000 0.803 103 A CB 0.941 20.113 19.000 0.286 0.000 1.208 103 A HN 0.758 nan 8.150 nan 0.000 0.477 104 Q N 1.227 121.228 119.800 0.334 0.000 2.314 104 Q HA 0.456 4.794 4.340 -0.003 0.000 0.258 104 Q C -0.718 175.396 176.000 0.190 0.000 0.954 104 Q CA 0.332 56.331 55.803 0.327 0.000 0.890 104 Q CB 0.745 29.553 28.738 0.115 0.000 1.210 104 Q HN 0.702 nan 8.270 nan 0.000 0.410 105 T N 3.865 118.494 114.554 0.124 0.000 2.883 105 T HA 0.434 4.782 4.350 -0.003 0.000 0.301 105 T C -2.677 171.950 174.700 -0.122 0.000 1.158 105 T CA -1.622 60.493 62.100 0.025 0.000 1.007 105 T CB 1.677 70.609 68.868 0.107 0.000 1.186 105 T HN 0.399 nan 8.240 nan 0.000 0.499 106 P HA 0.348 nan 4.420 nan 0.000 0.249 106 P C 0.127 177.359 177.300 -0.114 0.000 1.737 106 P CA 0.707 63.658 63.100 -0.248 0.000 1.128 106 P CB -0.402 31.068 31.700 -0.383 0.000 1.942 107 G N 1.654 110.419 108.800 -0.059 0.000 2.746 107 G HA2 -0.091 3.867 3.960 -0.003 0.000 0.685 107 G HA3 -0.091 3.867 3.960 -0.003 0.000 0.685 107 G C 1.035 175.921 174.900 -0.024 0.000 1.350 107 G CA -0.566 44.516 45.100 -0.030 0.000 0.837 107 G HN 0.386 nan 8.290 nan 0.000 0.564 108 G N -1.358 107.411 108.800 -0.053 0.000 2.470 108 G HA2 0.121 4.079 3.960 -0.003 0.000 0.220 108 G HA3 0.121 4.079 3.960 -0.003 0.000 0.220 108 G C 1.658 176.554 174.900 -0.007 0.000 1.121 108 G CA 2.287 47.352 45.100 -0.058 0.000 0.766 108 G HN 1.171 nan 8.290 nan 0.000 0.553 109 T N 0.270 114.836 114.554 0.020 0.000 3.014 109 T HA 0.088 4.436 4.350 -0.003 0.000 0.263 109 T C 2.434 177.175 174.700 0.068 0.000 1.078 109 T CA 0.978 63.141 62.100 0.105 0.000 1.135 109 T CB 0.016 68.980 68.868 0.161 0.000 0.895 109 T HN 0.320 nan 8.240 nan 0.000 0.480 110 G N 0.830 109.649 108.800 0.032 0.000 2.464 110 G HA2 0.161 4.119 3.960 -0.003 0.000 0.217 110 G HA3 0.161 4.119 3.960 -0.003 0.000 0.217 110 G C 1.669 176.618 174.900 0.080 0.000 1.138 110 G CA 0.730 45.846 45.100 0.028 0.000 0.793 110 G HN 0.524 nan 8.290 nan 0.000 0.539 111 A N 1.020 123.884 122.820 0.072 0.000 1.825 111 A HA 0.114 4.432 4.320 -0.003 0.000 0.214 111 A C 2.288 179.942 177.584 0.118 0.000 1.206 111 A CA 1.320 53.415 52.037 0.096 0.000 0.609 111 A CB -0.774 18.271 19.000 0.076 0.000 0.851 111 A HN 0.225 nan 8.150 nan 0.000 0.445 112 L N -0.062 121.232 121.223 0.117 0.000 2.054 112 L HA -0.255 4.083 4.340 -0.003 0.000 0.220 112 L C 2.583 179.517 176.870 0.107 0.000 1.081 112 L CA 2.548 57.469 54.840 0.136 0.000 0.780 112 L CB -1.140 40.975 42.059 0.094 0.000 0.893 112 L HN 0.601 nan 8.230 nan 0.000 0.438 113 R N -0.212 120.331 120.500 0.072 0.000 2.066 113 R HA -0.118 4.220 4.340 -0.003 0.000 0.232 113 R C 2.260 178.639 176.300 0.132 0.000 1.131 113 R CA 2.006 58.151 56.100 0.075 0.000 0.955 113 R CB -0.962 29.376 30.300 0.063 0.000 0.851 113 R HN 0.365 nan 8.270 nan 0.000 0.432 114 V N -0.960 119.042 119.914 0.147 0.000 2.626 114 V HA 0.025 4.143 4.120 -0.003 0.000 0.252 114 V C 2.063 178.265 176.094 0.180 0.000 1.067 114 V CA 1.749 64.135 62.300 0.144 0.000 1.081 114 V CB -0.967 30.928 31.823 0.120 0.000 0.686 114 V HN 0.347 nan 8.190 nan 0.000 0.468 115 A N 0.505 123.445 122.820 0.199 0.000 1.930 115 A HA 0.199 4.518 4.320 -0.003 0.000 0.217 115 A C 2.488 180.289 177.584 0.362 0.000 1.175 115 A CA 1.988 54.188 52.037 0.273 0.000 0.627 115 A CB -0.930 18.223 19.000 0.254 0.000 0.815 115 A HN 0.967 nan 8.150 nan 0.000 0.443 116 A N 0.093 123.102 122.820 0.316 0.000 1.873 116 A HA -0.138 4.180 4.320 -0.003 0.000 0.215 116 A C 1.766 179.480 177.584 0.217 0.000 1.186 116 A CA 1.827 54.052 52.037 0.314 0.000 0.616 116 A CB -0.574 18.623 19.000 0.329 0.000 0.823 116 A HN 0.396 nan 8.150 nan 0.000 0.442 117 D N -1.197 119.315 120.400 0.187 0.000 2.219 117 D HA -0.094 4.544 4.640 -0.003 0.000 0.205 117 D C 1.545 177.935 176.300 0.151 0.000 0.970 117 D CA 1.208 55.289 54.000 0.135 0.000 0.851 117 D CB -0.308 40.557 40.800 0.109 0.000 0.943 117 D HN 0.551 nan 8.370 nan 0.000 0.488 118 F N 0.569 120.548 119.950 0.048 0.000 2.149 118 F HA -0.086 4.440 4.527 -0.003 0.000 0.294 118 F C 1.829 177.657 175.800 0.047 0.000 1.095 118 F CA 0.670 58.689 58.000 0.031 0.000 1.276 118 F CB -0.257 38.756 39.000 0.022 0.000 1.023 118 F HN -0.167 nan 8.300 nan 0.000 0.480 119 L N 1.190 122.343 121.223 -0.117 0.000 2.079 119 L HA -0.080 4.258 4.340 -0.003 0.000 0.210 119 L C 2.628 179.397 176.870 -0.169 0.000 1.081 119 L CA 1.923 56.629 54.840 -0.224 0.000 0.752 119 L CB -1.673 40.436 42.059 0.083 0.000 0.896 119 L HN 0.355 nan 8.230 nan 0.000 0.433 120 A N -1.894 120.889 122.820 -0.062 0.000 2.119 120 A HA -0.095 4.223 4.320 -0.003 0.000 0.216 120 A C 2.108 179.658 177.584 -0.057 0.000 1.152 120 A CA 1.129 53.147 52.037 -0.032 0.000 0.708 120 A CB -0.173 18.842 19.000 0.024 0.000 0.805 120 A HN 0.308 nan 8.150 nan 0.000 0.460 121 K N -0.557 119.785 120.400 -0.097 0.000 2.380 121 K HA 0.201 4.519 4.320 -0.003 0.000 0.198 121 K C 0.581 177.108 176.600 -0.122 0.000 1.070 121 K CA 0.373 56.611 56.287 -0.080 0.000 1.040 121 K CB 0.498 32.974 32.500 -0.039 0.000 0.903 121 K HN 0.376 nan 8.250 nan 0.000 0.549 122 N N 0.104 118.661 118.700 -0.239 0.000 2.143 122 N HA 0.037 4.775 4.740 -0.003 0.000 0.222 122 N C -0.191 175.174 175.510 -0.241 0.000 1.264 122 N CA 0.281 53.183 53.050 -0.248 0.000 0.897 122 N CB 1.585 39.876 38.487 -0.327 0.000 1.092 122 N HN 0.196 nan 8.380 nan 0.000 0.516 123 T N -2.148 112.275 114.554 -0.218 0.000 2.804 123 T HA 0.316 4.664 4.350 -0.003 0.000 0.290 123 T C 0.442 175.100 174.700 -0.070 0.000 1.099 123 T CA -0.567 61.454 62.100 -0.131 0.000 1.011 123 T CB 1.582 70.372 68.868 -0.129 0.000 1.291 123 T HN -0.075 nan 8.240 nan 0.000 0.523 124 S N -0.123 115.560 115.700 -0.030 0.000 2.583 124 S HA 0.362 4.831 4.470 -0.003 0.000 0.239 124 S C 0.392 174.995 174.600 0.005 0.000 0.966 124 S CA -0.589 57.606 58.200 -0.009 0.000 0.973 124 S CB -0.689 62.515 63.200 0.006 0.000 0.794 124 S HN 0.665 nan 8.310 nan 0.000 0.463 125 V N 2.124 122.037 119.914 -0.002 0.000 2.655 125 V HA 0.277 4.395 4.120 -0.003 0.000 0.300 125 V C 0.335 176.433 176.094 0.007 0.000 1.044 125 V CA 0.239 62.547 62.300 0.015 0.000 1.095 125 V CB 0.647 32.477 31.823 0.012 0.000 0.952 125 V HN 0.467 nan 8.190 nan 0.000 0.485 134 W N 5.663 126.807 121.300 -0.260 0.000 2.316 134 W HA 0.707 5.365 4.660 -0.003 0.000 0.308 134 W C 0.149 176.654 176.519 -0.023 0.000 1.106 134 W CA -0.271 57.001 57.345 -0.122 0.000 1.262 134 W CB 1.734 31.083 29.460 -0.184 0.000 1.233 134 W HN 0.808 nan 8.180 nan 0.000 0.447 135 V N 1.716 121.676 119.914 0.077 0.000 2.555 135 V HA 0.718 4.836 4.120 -0.003 0.000 0.302 135 V C 0.430 176.319 176.094 -0.342 0.000 1.038 135 V CA -1.091 61.202 62.300 -0.011 0.000 0.887 135 V CB 0.968 32.809 31.823 0.029 0.000 0.991 135 V HN 0.555 nan 8.190 nan 0.000 0.434 136 S N 3.308 118.573 115.700 -0.724 0.000 2.580 136 S HA 0.117 4.585 4.470 -0.003 0.000 0.261 136 S C 0.100 174.455 174.600 -0.408 0.000 1.366 136 S CA -0.110 57.453 58.200 -1.061 0.000 0.996 136 S CB 0.140 62.863 63.200 -0.796 0.000 0.902 136 S HN 1.135 nan 8.310 nan 0.000 0.566 137 N N 1.663 120.204 118.700 -0.264 0.000 2.491 137 N HA 0.387 5.126 4.740 -0.003 0.000 0.274 137 N C -2.875 172.641 175.510 0.010 0.000 1.023 137 N CA -1.809 51.196 53.050 -0.075 0.000 0.902 137 N CB 1.805 40.283 38.487 -0.014 0.000 1.267 137 N HN 0.459 nan 8.380 nan 0.000 0.503 138 P HA 0.333 nan 4.420 nan 0.000 0.306 138 P C -0.848 176.404 177.300 -0.080 0.000 1.309 138 P CA -0.330 62.734 63.100 -0.059 0.000 0.759 138 P CB 1.533 33.173 31.700 -0.100 0.000 1.314 139 S N -2.428 113.243 115.700 -0.047 0.000 2.611 139 S HA 0.318 4.786 4.470 -0.003 0.000 0.268 139 S C -1.964 172.687 174.600 0.084 0.000 1.156 139 S CA -0.678 57.541 58.200 0.031 0.000 0.817 139 S CB -0.077 63.256 63.200 0.221 0.000 1.122 139 S HN 0.410 nan 8.310 nan 0.000 0.466 140 W N 4.147 125.397 121.300 -0.083 0.000 2.534 140 W HA 0.232 4.891 4.660 -0.002 0.000 0.340 140 W C -2.250 174.141 176.519 -0.214 0.000 1.352 140 W CA -0.917 56.276 57.345 -0.255 0.000 1.305 140 W CB 0.018 29.169 29.460 -0.515 0.000 1.299 140 W HN 0.575 nan 8.180 nan 0.000 0.572 141 P HA -0.259 nan 4.420 nan 0.000 0.220 141 P C 1.177 178.090 177.300 -0.645 0.000 1.144 141 P CA 1.861 64.695 63.100 -0.443 0.000 0.800 141 P CB 0.247 31.745 31.700 -0.336 0.000 0.772 142 N N -2.140 115.770 118.700 -1.316 0.000 2.422 142 N HA -0.056 4.682 4.740 -0.003 0.000 0.181 142 N C 1.406 176.452 175.510 -0.773 0.000 1.080 142 N CA 0.454 52.768 53.050 -1.228 0.000 0.893 142 N CB -0.448 36.915 38.487 -1.873 0.000 0.973 142 N HN 0.264 nan 8.380 nan 0.000 0.456 143 H N -0.450 118.340 119.070 -0.467 0.000 2.289 143 H HA -0.175 4.379 4.556 -0.003 0.000 0.296 143 H C 1.859 177.099 175.328 -0.146 0.000 1.091 143 H CA 1.713 57.681 56.048 -0.135 0.000 1.274 143 H CB 0.191 30.078 29.762 0.207 0.000 1.364 143 H HN 0.106 nan 8.280 nan 0.000 0.490 144 K N 0.752 121.198 120.400 0.077 0.000 2.009 144 K HA -0.135 4.183 4.320 -0.003 0.000 0.210 144 K C 2.265 178.843 176.600 -0.036 0.000 1.049 144 K CA 2.053 58.373 56.287 0.055 0.000 0.929 144 K CB -0.225 32.269 32.500 -0.010 0.000 0.714 144 K HN 0.057 nan 8.250 nan 0.000 0.440 145 S N -0.116 115.500 115.700 -0.141 0.000 2.399 145 S HA -0.093 4.375 4.470 -0.003 0.000 0.231 145 S C 1.930 176.445 174.600 -0.143 0.000 1.022 145 S CA 1.175 59.293 58.200 -0.137 0.000 0.983 145 S CB -0.253 62.843 63.200 -0.173 0.000 0.803 145 S HN 0.158 nan 8.310 nan 0.000 0.480 146 V N 1.309 121.074 119.914 -0.248 0.000 2.244 146 V HA -0.124 3.994 4.120 -0.003 0.000 0.244 146 V C 1.993 177.955 176.094 -0.221 0.000 1.042 146 V CA 1.639 63.763 62.300 -0.294 0.000 1.006 146 V CB -0.819 30.735 31.823 -0.448 0.000 0.641 146 V HN 0.355 nan 8.190 nan 0.000 0.446 147 F N 1.262 121.233 119.950 0.035 0.000 2.046 147 F HA -0.177 4.348 4.527 -0.003 0.000 0.297 147 F C 2.306 178.107 175.800 0.001 0.000 1.123 147 F CA 1.708 59.721 58.000 0.021 0.000 1.199 147 F CB -1.558 37.446 39.000 0.007 0.000 0.972 147 F HN 0.228 nan 8.300 nan 0.000 0.474 148 N N -0.540 118.250 118.700 0.150 0.000 2.258 148 N HA -0.180 4.558 4.740 -0.003 0.000 0.187 148 N C 1.746 177.281 175.510 0.042 0.000 1.012 148 N CA 1.175 54.266 53.050 0.068 0.000 0.870 148 N CB -0.279 38.222 38.487 0.024 0.000 0.977 148 N HN 0.160 nan 8.380 nan 0.000 0.434 149 S N 0.076 115.792 115.700 0.027 0.000 2.461 149 S HA 0.061 4.529 4.470 -0.003 0.000 0.228 149 S C 1.958 176.579 174.600 0.036 0.000 1.005 149 S CA 0.529 58.739 58.200 0.016 0.000 0.942 149 S CB 0.103 63.300 63.200 -0.005 0.000 0.776 149 S HN 0.441 nan 8.310 nan 0.000 0.514 150 A N 0.333 123.191 122.820 0.064 0.000 2.021 150 A HA 0.496 4.814 4.320 -0.003 0.000 0.216 150 A C 1.744 179.365 177.584 0.061 0.000 1.163 150 A CA 1.162 53.246 52.037 0.077 0.000 0.676 150 A CB -0.371 18.708 19.000 0.132 0.000 0.818 150 A HN 0.749 nan 8.150 nan 0.000 0.453 151 G N -2.427 106.409 108.800 0.060 0.000 2.260 151 G HA2 -0.082 3.876 3.960 -0.003 0.000 0.179 151 G HA3 -0.082 3.876 3.960 -0.003 0.000 0.179 151 G C -0.012 174.911 174.900 0.038 0.000 1.002 151 G CA 0.010 45.134 45.100 0.039 0.000 0.677 151 G HN 0.221 nan 8.290 nan 0.000 0.486 155 V N 1.821 121.643 119.914 -0.154 0.000 2.487 155 V HA 0.811 4.929 4.120 -0.003 0.000 0.298 155 V C -0.845 175.042 176.094 -0.345 0.000 1.028 155 V CA -0.622 61.536 62.300 -0.237 0.000 0.860 155 V CB 1.491 33.267 31.823 -0.078 0.000 0.991 155 V HN 0.694 nan 8.190 nan 0.000 0.427 156 R N 3.201 123.317 120.500 -0.641 0.000 2.875 156 R HA 0.714 5.052 4.340 -0.003 0.000 0.251 156 R C -0.678 175.229 176.300 -0.654 0.000 1.123 156 R CA -0.648 54.981 56.100 -0.785 0.000 1.064 156 R CB 1.778 31.268 30.300 -1.350 0.000 1.205 156 R HN 0.942 nan 8.270 nan 0.000 0.503 157 E N 0.493 120.444 120.200 -0.415 0.000 2.266 157 E HA 0.309 4.657 4.350 -0.003 0.000 0.268 157 E C -1.244 175.522 176.600 0.276 0.000 0.879 157 E CA -0.766 55.585 56.400 -0.082 0.000 0.762 157 E CB 2.103 31.756 29.700 -0.080 0.000 1.199 157 E HN 0.453 nan 8.360 nan 0.000 0.422 158 Y N -0.253 120.207 120.300 0.268 0.000 2.409 158 Y HA 0.752 5.300 4.550 -0.003 0.000 0.339 158 Y C -0.010 175.993 175.900 0.171 0.000 1.033 158 Y CA -1.539 56.720 58.100 0.266 0.000 1.094 158 Y CB 0.808 39.391 38.460 0.205 0.000 1.210 158 Y HN 0.557 nan 8.280 nan 0.000 0.456 159 A N 2.842 125.830 122.820 0.281 0.000 2.555 159 A HA 0.198 4.516 4.320 -0.003 0.000 0.233 159 A C -0.669 177.047 177.584 0.221 0.000 1.060 159 A CA 0.711 52.853 52.037 0.176 0.000 0.759 159 A CB -0.245 18.820 19.000 0.108 0.000 0.995 159 A HN 1.067 nan 8.150 nan 0.000 0.506 160 Y N 0.269 120.590 120.300 0.035 0.000 3.309 160 Y HA 0.227 4.775 4.550 -0.004 0.000 0.164 160 Y C -0.282 175.652 175.900 0.057 0.000 0.908 160 Y CA 0.085 58.194 58.100 0.016 0.000 1.843 160 Y CB 0.191 38.562 38.460 -0.148 0.000 1.407 160 Y HN 0.638 nan 8.280 nan 0.000 0.308 161 Y N 3.062 123.436 120.300 0.125 0.000 2.336 161 Y HA 0.327 4.875 4.550 -0.004 0.000 0.335 161 Y C -0.640 175.272 175.900 0.020 0.000 1.046 161 Y CA -1.166 56.981 58.100 0.079 0.000 1.198 161 Y CB 0.583 39.124 38.460 0.134 0.000 1.182 161 Y HN 0.156 nan 8.280 nan 0.000 0.502 162 D N 4.726 124.819 120.400 -0.511 0.000 2.456 162 D HA 0.308 4.946 4.640 -0.003 0.000 0.219 162 D C 0.611 176.396 176.300 -0.858 0.000 1.126 162 D CA 0.125 53.837 54.000 -0.479 0.000 0.890 162 D CB 0.865 41.469 40.800 -0.327 0.000 1.025 162 D HN 0.693 nan 8.370 nan 0.000 0.511 163 A N 3.817 126.243 122.820 -0.657 0.000 2.178 163 A HA -0.129 4.189 4.320 -0.003 0.000 0.218 163 A C 1.851 179.031 177.584 -0.674 0.000 1.157 163 A CA 1.013 52.711 52.037 -0.564 0.000 0.689 163 A CB -0.173 18.763 19.000 -0.107 0.000 0.787 163 A HN 0.641 nan 8.150 nan 0.000 0.465 164 E N -0.674 119.187 120.200 -0.566 0.000 2.030 164 E HA -0.113 4.235 4.350 -0.003 0.000 0.189 164 E C 1.412 177.621 176.600 -0.652 0.000 0.974 164 E CA 0.951 57.055 56.400 -0.493 0.000 0.807 164 E CB -0.134 29.403 29.700 -0.271 0.000 0.771 164 E HN 0.558 nan 8.360 nan 0.000 0.451 165 N N -0.061 118.333 118.700 -0.511 0.000 2.336 165 N HA -0.081 4.657 4.740 -0.003 0.000 0.189 165 N C -0.772 174.563 175.510 -0.293 0.000 1.113 165 N CA 0.270 53.123 53.050 -0.329 0.000 0.858 165 N CB 0.051 38.434 38.487 -0.173 0.000 0.970 165 N HN 0.190 nan 8.380 nan 0.000 0.471 166 H N -0.837 118.008 119.070 -0.376 0.000 2.748 166 H HA -0.143 4.412 4.556 -0.003 0.000 0.322 166 H C -0.282 175.010 175.328 -0.060 0.000 1.208 166 H CA 1.266 57.125 56.048 -0.316 0.000 1.151 166 H CB -2.448 27.054 29.762 -0.434 0.000 1.505 166 H HN 0.449 nan 8.280 nan 0.000 0.429 167 T N -2.851 111.632 114.554 -0.117 0.000 2.804 167 T HA 0.614 4.962 4.350 -0.003 0.000 0.290 167 T C 0.278 174.959 174.700 -0.031 0.000 1.099 167 T CA -1.186 60.917 62.100 0.004 0.000 1.011 167 T CB 2.629 71.477 68.868 -0.033 0.000 1.291 167 T HN 0.174 nan 8.240 nan 0.000 0.523 168 L N 1.482 122.684 121.223 -0.036 0.000 2.313 168 L HA 0.327 4.665 4.340 -0.003 0.000 0.282 168 L C -0.407 176.405 176.870 -0.097 0.000 1.092 168 L CA -0.253 54.503 54.840 -0.141 0.000 0.831 168 L CB 0.619 42.570 42.059 -0.180 0.000 1.159 168 L HN 0.758 nan 8.230 nan 0.000 0.442 169 D N 4.138 124.468 120.400 -0.117 0.000 2.522 169 D HA -0.011 4.627 4.640 -0.003 0.000 0.218 169 D C 0.820 177.125 176.300 0.009 0.000 1.149 169 D CA -0.105 53.861 54.000 -0.057 0.000 0.981 169 D CB 0.281 41.036 40.800 -0.075 0.000 1.041 169 D HN 0.383 nan 8.370 nan 0.000 0.518 170 F N 2.715 122.589 119.950 -0.127 0.000 2.043 170 F HA -0.231 4.295 4.527 -0.001 0.000 0.297 170 F C 2.067 177.834 175.800 -0.055 0.000 1.121 170 F CA 1.882 59.821 58.000 -0.103 0.000 1.199 170 F CB -0.070 38.878 39.000 -0.087 0.000 0.968 170 F HN 0.412 nan 8.300 nan 0.000 0.478 171 D N -0.145 120.211 120.400 -0.073 0.000 2.218 171 D HA -0.163 4.475 4.640 -0.003 0.000 0.204 171 D C 2.003 178.229 176.300 -0.123 0.000 0.976 171 D CA 1.213 55.121 54.000 -0.154 0.000 0.853 171 D CB -0.723 40.043 40.800 -0.057 0.000 0.939 171 D HN 0.381 nan 8.370 nan 0.000 0.481 172 A N 1.024 123.801 122.820 -0.072 0.000 1.968 172 A HA 0.013 4.331 4.320 -0.003 0.000 0.217 172 A C 2.282 179.852 177.584 -0.024 0.000 1.169 172 A CA 1.049 53.063 52.037 -0.038 0.000 0.638 172 A CB -0.492 18.496 19.000 -0.019 0.000 0.812 172 A HN 0.320 nan 8.150 nan 0.000 0.446 173 L N -0.859 120.333 121.223 -0.051 0.000 2.095 173 L HA 0.073 4.411 4.340 -0.003 0.000 0.204 173 L C 2.015 178.835 176.870 -0.083 0.000 1.080 173 L CA 1.582 56.434 54.840 0.019 0.000 0.759 173 L CB -0.659 41.425 42.059 0.042 0.000 0.914 173 L HN 0.300 nan 8.230 nan 0.000 0.439 174 I N 0.339 120.757 120.570 -0.253 0.000 2.286 174 I HA -0.289 3.879 4.170 -0.003 0.000 0.248 174 I C 2.143 178.183 176.117 -0.129 0.000 1.115 174 I CA 1.668 62.809 61.300 -0.264 0.000 1.392 174 I CB -0.353 37.354 38.000 -0.488 0.000 1.065 174 I HN 0.517 nan 8.210 nan 0.000 0.418 175 N N -0.238 118.400 118.700 -0.104 0.000 2.270 175 N HA -0.114 4.624 4.740 -0.003 0.000 0.181 175 N C 1.853 177.345 175.510 -0.029 0.000 1.016 175 N CA 1.107 54.125 53.050 -0.054 0.000 0.870 175 N CB 0.145 38.610 38.487 -0.038 0.000 0.979 175 N HN 0.207 nan 8.380 nan 0.000 0.431 176 S N 1.010 116.703 115.700 -0.012 0.000 2.387 176 S HA 0.052 4.521 4.470 -0.003 0.000 0.226 176 S C 1.900 176.430 174.600 -0.117 0.000 1.026 176 S CA 0.499 58.720 58.200 0.035 0.000 0.972 176 S CB -0.042 63.248 63.200 0.149 0.000 0.814 176 S HN 0.263 nan 8.310 nan 0.000 0.477 177 L N 1.588 122.683 121.223 -0.214 0.000 2.291 177 L HA 0.023 4.361 4.340 -0.003 0.000 0.214 177 L C 1.429 178.173 176.870 -0.210 0.000 1.120 177 L CA 0.573 55.122 54.840 -0.484 0.000 0.799 177 L CB -0.478 41.306 42.059 -0.457 0.000 0.925 177 L HN 0.223 nan 8.230 nan 0.000 0.446 178 N N -0.009 118.663 118.700 -0.048 0.000 2.609 178 N HA -0.166 4.573 4.740 -0.003 0.000 0.190 178 N C 1.440 176.938 175.510 -0.020 0.000 1.157 178 N CA 0.578 53.639 53.050 0.019 0.000 0.918 178 N CB 0.034 38.517 38.487 -0.008 0.000 0.978 178 N HN 0.216 nan 8.380 nan 0.000 0.448 179 E N -0.267 119.863 120.200 -0.116 0.000 2.481 179 E HA 0.307 4.656 4.350 -0.003 0.000 0.198 179 E C -0.381 176.166 176.600 -0.088 0.000 1.027 179 E CA -0.233 56.140 56.400 -0.045 0.000 0.900 179 E CB 0.182 29.921 29.700 0.065 0.000 0.993 179 E HN 0.198 nan 8.360 nan 0.000 0.482 180 A N 0.710 123.307 122.820 -0.371 0.000 2.309 180 A HA 0.517 4.835 4.320 -0.003 0.000 0.298 180 A C -0.173 177.448 177.584 0.061 0.000 1.165 180 A CA -0.468 51.322 52.037 -0.410 0.000 0.821 180 A CB 0.577 18.770 19.000 -1.345 0.000 1.102 180 A HN 0.187 nan 8.150 nan 0.000 0.500 181 Q N 0.531 120.412 119.800 0.135 0.000 2.249 181 Q HA 0.580 4.918 4.340 -0.003 0.000 0.226 181 Q C 0.314 176.469 176.000 0.259 0.000 0.983 181 Q CA -0.100 55.811 55.803 0.180 0.000 0.930 181 Q CB 1.199 30.018 28.738 0.136 0.000 1.193 181 Q HN 0.938 nan 8.270 nan 0.000 0.508 182 A N 0.433 123.362 122.820 0.181 0.000 2.492 182 A HA 0.457 4.775 4.320 -0.003 0.000 0.254 182 A C 0.927 178.611 177.584 0.166 0.000 1.091 182 A CA 0.700 52.837 52.037 0.167 0.000 0.768 182 A CB -0.871 18.167 19.000 0.064 0.000 1.028 182 A HN 0.949 nan 8.150 nan 0.000 0.498 183 G N 2.176 111.097 108.800 0.202 0.000 2.179 183 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.220 183 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.220 183 G C -0.184 174.807 174.900 0.152 0.000 0.990 183 G CA 0.182 45.374 45.100 0.153 0.000 0.646 183 G HN 0.766 nan 8.290 nan 0.000 0.517 184 D N -0.181 120.331 120.400 0.186 0.000 2.294 184 D HA 0.567 5.205 4.640 -0.003 0.000 0.250 184 D C 0.408 176.770 176.300 0.102 0.000 1.058 184 D CA -0.256 53.828 54.000 0.140 0.000 0.950 184 D CB 1.884 42.761 40.800 0.128 0.000 1.158 184 D HN 0.072 nan 8.370 nan 0.000 0.453 185 V N 1.834 121.789 119.914 0.069 0.000 2.383 185 V HA 0.241 4.359 4.120 -0.003 0.000 0.275 185 V C -0.046 176.015 176.094 -0.054 0.000 1.036 185 V CA -0.586 61.722 62.300 0.013 0.000 0.889 185 V CB 1.589 33.375 31.823 -0.062 0.000 0.985 185 V HN 0.274 nan 8.190 nan 0.000 0.459 186 V N 7.916 127.749 119.914 -0.136 0.000 2.357 186 V HA 0.559 4.677 4.120 -0.003 0.000 0.284 186 V C -0.469 175.391 176.094 -0.390 0.000 1.018 186 V CA -0.616 61.471 62.300 -0.354 0.000 0.841 186 V CB 1.478 32.854 31.823 -0.746 0.000 0.991 186 V HN 0.783 nan 8.190 nan 0.000 0.437 187 L N 7.927 128.955 121.223 -0.326 0.000 2.319 187 L HA 0.606 4.944 4.340 -0.003 0.000 0.280 187 L C -1.007 175.658 176.870 -0.341 0.000 1.099 187 L CA 0.437 55.121 54.840 -0.259 0.000 0.828 187 L CB 0.468 42.415 42.059 -0.187 0.000 1.150 187 L HN 0.625 nan 8.230 nan 0.000 0.442 188 F N 2.814 122.661 119.950 -0.173 0.000 2.556 188 F HA 0.465 4.990 4.527 -0.003 0.000 0.327 188 F C 0.166 176.006 175.800 0.068 0.000 1.059 188 F CA -0.667 57.295 58.000 -0.062 0.000 0.953 188 F CB 1.204 39.930 39.000 -0.457 0.000 1.227 188 F HN 0.372 nan 8.300 nan 0.000 0.478 189 H N 0.759 120.072 119.070 0.404 0.000 2.519 189 H HA 0.177 4.731 4.556 -0.003 0.000 0.316 189 H C 0.925 176.556 175.328 0.504 0.000 1.065 189 H CA -0.069 56.215 56.048 0.394 0.000 1.264 189 H CB 1.704 31.678 29.762 0.354 0.000 1.413 189 H HN 0.943 nan 8.280 nan 0.000 0.465 190 G N 3.129 112.183 108.800 0.424 0.000 2.513 190 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.219 190 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.219 190 G C 0.575 175.740 174.900 0.441 0.000 1.160 190 G CA 1.309 46.412 45.100 0.005 0.000 0.767 190 G HN 0.773 nan 8.290 nan 0.000 0.571 191 C N -5.522 114.183 119.300 0.675 0.000 3.275 191 C HA 0.522 4.980 4.460 -0.003 0.000 0.340 191 C C 0.219 175.506 174.990 0.495 0.000 1.366 191 C CA -1.036 58.339 59.018 0.595 0.000 1.227 191 C CB 0.610 28.672 27.740 0.537 0.000 1.512 191 C HN 1.011 nan 8.230 nan 0.000 0.461 192 C N 2.335 121.844 119.300 0.348 0.000 3.630 192 C HA -0.116 4.342 4.460 -0.003 0.000 0.297 192 C C 0.507 175.600 174.990 0.172 0.000 1.219 192 C CA 1.066 60.179 59.018 0.159 0.000 2.284 192 C CB -3.187 24.486 27.740 -0.112 0.000 1.430 192 C HN 1.260 nan 8.230 nan 0.000 0.573 193 H N 2.067 121.234 119.070 0.162 0.000 3.125 193 H HA 0.047 4.601 4.556 -0.004 0.000 0.310 193 H C 0.499 175.812 175.328 -0.026 0.000 0.980 193 H CA 1.187 57.248 56.048 0.022 0.000 1.422 193 H CB 0.523 30.210 29.762 -0.125 0.000 1.432 193 H HN 0.713 nan 8.280 nan 0.000 0.577 194 N N 6.953 125.323 118.700 -0.550 0.000 2.425 194 N HA 0.141 4.879 4.740 -0.003 0.000 0.268 194 N C -2.206 172.935 175.510 -0.614 0.000 0.991 194 N CA -2.239 50.607 53.050 -0.340 0.000 0.931 194 N CB 1.561 40.042 38.487 -0.010 0.000 1.130 194 N HN 0.420 nan 8.380 nan 0.000 0.493 195 P HA 0.133 nan 4.420 nan 0.000 0.274 195 P C 0.681 177.731 177.300 -0.416 0.000 1.352 195 P CA 0.200 63.005 63.100 -0.492 0.000 0.947 195 P CB 0.217 31.614 31.700 -0.505 0.000 1.437 196 T N -4.588 109.757 114.554 -0.347 0.000 2.985 196 T HA 0.167 4.515 4.350 -0.003 0.000 0.266 196 T C 1.768 176.493 174.700 0.042 0.000 1.076 196 T CA 1.239 63.141 62.100 -0.329 0.000 1.135 196 T CB -1.192 67.381 68.868 -0.493 0.000 0.890 196 T HN 0.168 nan 8.240 nan 0.000 0.480 197 G N 1.462 110.347 108.800 0.140 0.000 2.184 197 G HA2 -0.199 3.760 3.960 -0.003 0.000 0.264 197 G HA3 -0.199 3.760 3.960 -0.003 0.000 0.264 197 G C 0.074 175.114 174.900 0.234 0.000 0.975 197 G CA 0.199 45.411 45.100 0.186 0.000 0.642 197 G HN 0.607 nan 8.290 nan 0.000 0.536 198 I N 1.416 122.145 120.570 0.264 0.000 2.342 198 I HA 0.460 4.628 4.170 -0.003 0.000 0.291 198 I C -0.379 175.922 176.117 0.307 0.000 1.010 198 I CA -0.533 60.933 61.300 0.277 0.000 1.308 198 I CB 1.142 39.328 38.000 0.310 0.000 1.400 198 I HN -0.070 nan 8.210 nan 0.000 0.488 199 D N 7.417 127.963 120.400 0.243 0.000 2.433 199 D HA 0.546 5.184 4.640 -0.003 0.000 0.236 199 D C -2.339 173.994 176.300 0.056 0.000 1.026 199 D CA -1.295 52.853 54.000 0.248 0.000 0.884 199 D CB 1.928 42.925 40.800 0.329 0.000 1.384 199 D HN 0.207 nan 8.370 nan 0.000 0.477 200 P HA 0.232 nan 4.420 nan 0.000 0.274 200 P C -0.216 176.923 177.300 -0.267 0.000 1.246 200 P CA -0.267 62.552 63.100 -0.469 0.000 0.795 200 P CB 0.555 31.555 31.700 -1.168 0.000 1.006 201 T N 1.233 115.645 114.554 -0.237 0.000 2.788 201 T HA 0.055 4.403 4.350 -0.003 0.000 0.287 201 T C 1.305 176.059 174.700 0.089 0.000 1.007 201 T CA -0.296 61.778 62.100 -0.044 0.000 1.005 201 T CB 0.225 69.027 68.868 -0.111 0.000 1.012 201 T HN 0.251 nan 8.240 nan 0.000 0.530 202 L N 1.290 122.640 121.223 0.213 0.000 2.056 202 L HA -0.047 4.291 4.340 -0.003 0.000 0.207 202 L C 2.368 179.361 176.870 0.204 0.000 1.078 202 L CA 1.766 56.793 54.840 0.313 0.000 0.749 202 L CB -0.747 41.438 42.059 0.210 0.000 0.901 202 L HN 0.579 nan 8.230 nan 0.000 0.433 203 E N -0.202 120.045 120.200 0.078 0.000 2.023 203 E HA -0.304 4.044 4.350 -0.003 0.000 0.196 203 E C 2.057 178.651 176.600 -0.010 0.000 1.003 203 E CA 1.901 58.319 56.400 0.029 0.000 0.809 203 E CB -0.556 29.132 29.700 -0.020 0.000 0.755 203 E HN 0.694 nan 8.360 nan 0.000 0.449 204 Q N -0.437 119.258 119.800 -0.175 0.000 2.234 204 Q HA -0.176 4.162 4.340 -0.003 0.000 0.206 204 Q C 2.048 178.013 176.000 -0.058 0.000 0.980 204 Q CA 1.347 56.916 55.803 -0.391 0.000 0.869 204 Q CB -0.317 27.897 28.738 -0.873 0.000 0.912 204 Q HN 0.416 nan 8.270 nan 0.000 0.436 205 W N 1.054 122.397 121.300 0.072 0.000 2.409 205 W HA -0.140 4.518 4.660 -0.005 0.000 0.299 205 W C 2.416 179.029 176.519 0.156 0.000 1.203 205 W CA 0.576 58.041 57.345 0.200 0.000 1.298 205 W CB 0.097 29.685 29.460 0.214 0.000 1.127 205 W HN 0.178 nan 8.180 nan 0.000 0.528 206 Q N -0.434 119.549 119.800 0.304 0.000 2.030 206 Q HA -0.199 4.140 4.340 -0.003 0.000 0.204 206 Q C 2.102 178.147 176.000 0.076 0.000 0.986 206 Q CA 2.624 58.510 55.803 0.139 0.000 0.843 206 Q CB -0.762 28.036 28.738 0.099 0.000 0.904 206 Q HN 0.096 nan 8.270 nan 0.000 0.420 207 T N 1.087 115.714 114.554 0.123 0.000 2.699 207 T HA -0.166 4.182 4.350 -0.003 0.000 0.268 207 T C 1.639 176.419 174.700 0.134 0.000 1.036 207 T CA 1.131 63.316 62.100 0.142 0.000 1.147 207 T CB -0.198 68.835 68.868 0.276 0.000 0.862 207 T HN 0.199 nan 8.240 nan 0.000 0.446 208 L N 0.168 121.519 121.223 0.214 0.000 2.313 208 L HA 0.092 4.431 4.340 -0.003 0.000 0.214 208 L C 2.897 179.665 176.870 -0.170 0.000 1.119 208 L CA 0.634 55.608 54.840 0.224 0.000 0.809 208 L CB -0.555 41.783 42.059 0.464 0.000 0.933 208 L HN 0.231 nan 8.230 nan 0.000 0.449 209 A N 0.067 122.599 122.820 -0.479 0.000 1.854 209 A HA -0.237 4.081 4.320 -0.003 0.000 0.214 209 A C 2.213 179.586 177.584 -0.351 0.000 1.192 209 A CA 1.588 53.045 52.037 -0.967 0.000 0.611 209 A CB -0.438 18.197 19.000 -0.609 0.000 0.832 209 A HN 0.357 nan 8.150 nan 0.000 0.442 210 Q N -0.402 119.278 119.800 -0.201 0.000 2.020 210 Q HA -0.150 4.188 4.340 -0.003 0.000 0.202 210 Q C 1.885 177.767 176.000 -0.196 0.000 0.982 210 Q CA 1.948 57.656 55.803 -0.160 0.000 0.838 210 Q CB -0.603 28.076 28.738 -0.099 0.000 0.899 210 Q HN 0.473 nan 8.270 nan 0.000 0.423 211 L N 0.179 121.296 121.223 -0.177 0.000 2.012 211 L HA -0.154 4.184 4.340 -0.003 0.000 0.210 211 L C 2.359 178.929 176.870 -0.500 0.000 1.073 211 L CA 2.557 57.234 54.840 -0.272 0.000 0.748 211 L CB -1.434 40.526 42.059 -0.166 0.000 0.891 211 L HN 0.382 nan 8.230 nan 0.000 0.431 212 S N -1.536 113.970 115.700 -0.324 0.000 2.383 212 S HA -0.173 4.295 4.470 -0.003 0.000 0.229 212 S C 2.011 176.463 174.600 -0.247 0.000 1.030 212 S CA 1.543 59.627 58.200 -0.193 0.000 1.002 212 S CB -0.456 63.032 63.200 0.481 0.000 0.829 212 S HN 0.339 nan 8.310 nan 0.000 0.467 213 V N 1.274 121.001 119.914 -0.313 0.000 2.427 213 V HA -0.086 4.032 4.120 -0.003 0.000 0.248 213 V C 2.360 178.252 176.094 -0.336 0.000 1.051 213 V CA 2.009 64.036 62.300 -0.454 0.000 1.048 213 V CB -0.515 31.032 31.823 -0.459 0.000 0.666 213 V HN 0.545 nan 8.190 nan 0.000 0.456 214 E N -0.593 119.403 120.200 -0.341 0.000 2.107 214 E HA -0.117 4.232 4.350 -0.003 0.000 0.191 214 E C 1.829 178.214 176.600 -0.359 0.000 0.982 214 E CA 0.634 56.854 56.400 -0.300 0.000 0.809 214 E CB 0.001 29.540 29.700 -0.268 0.000 0.756 214 E HN 0.363 nan 8.360 nan 0.000 0.459 215 K N -0.145 119.897 120.400 -0.597 0.000 2.444 215 K HA 0.067 4.386 4.320 -0.003 0.000 0.193 215 K C 0.701 177.008 176.600 -0.489 0.000 1.024 215 K CA 0.569 56.451 56.287 -0.676 0.000 1.077 215 K CB 0.827 32.571 32.500 -1.260 0.000 0.833 215 K HN 0.242 nan 8.250 nan 0.000 0.517 216 G N 1.991 110.598 108.800 -0.320 0.000 2.273 216 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.280 216 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.280 216 G C -0.340 174.662 174.900 0.169 0.000 1.047 216 G CA -0.042 45.020 45.100 -0.063 0.000 0.869 216 G HN 0.147 nan 8.290 nan 0.000 0.502 217 W N -1.324 120.036 121.300 0.100 0.000 2.215 217 W HA 0.659 5.316 4.660 -0.004 0.000 0.342 217 W C 0.298 176.948 176.519 0.220 0.000 1.237 217 W CA -1.671 55.753 57.345 0.132 0.000 1.283 217 W CB 0.617 30.162 29.460 0.141 0.000 1.131 217 W HN 0.188 nan 8.180 nan 0.000 0.606 218 L N 5.329 126.801 121.223 0.415 0.000 2.264 218 L HA 0.461 4.799 4.340 -0.003 0.000 0.287 218 L C -2.380 174.684 176.870 0.324 0.000 1.039 218 L CA -2.351 52.695 54.840 0.343 0.000 0.829 218 L CB 0.416 42.622 42.059 0.245 0.000 1.211 218 L HN -0.013 nan 8.230 nan 0.000 0.427 219 P HA 0.216 nan 4.420 nan 0.000 0.276 219 P C -1.333 176.118 177.300 0.252 0.000 1.230 219 P CA -0.327 62.982 63.100 0.348 0.000 0.776 219 P CB 0.930 32.840 31.700 0.349 0.000 0.888 220 L N 5.177 126.497 121.223 0.161 0.000 2.377 220 L HA 0.513 4.851 4.340 -0.003 0.000 0.270 220 L C -1.649 175.281 176.870 0.101 0.000 0.991 220 L CA -0.870 54.063 54.840 0.154 0.000 0.851 220 L CB -0.289 41.824 42.059 0.090 0.000 1.218 220 L HN 0.115 nan 8.230 nan 0.000 0.420 221 F N 3.086 123.062 119.950 0.043 0.000 2.404 221 F HA 0.353 4.878 4.527 -0.003 0.000 0.345 221 F C 0.659 176.460 175.800 0.002 0.000 1.110 221 F CA -0.175 57.813 58.000 -0.019 0.000 1.130 221 F CB 1.101 39.970 39.000 -0.219 0.000 1.129 221 F HN 0.440 nan 8.300 nan 0.000 0.500 222 D N 3.928 124.426 120.400 0.164 0.000 2.412 222 D HA 0.141 4.780 4.640 -0.003 0.000 0.224 222 D C -1.384 175.042 176.300 0.210 0.000 1.093 222 D CA -0.196 53.874 54.000 0.115 0.000 0.850 222 D CB 0.196 40.993 40.800 -0.004 0.000 1.046 222 D HN 0.127 nan 8.370 nan 0.000 0.507 223 F N 3.180 123.155 119.950 0.041 0.000 2.311 223 F HA 0.489 5.014 4.527 -0.003 0.000 0.371 223 F C 0.462 176.218 175.800 -0.074 0.000 1.083 223 F CA -1.379 56.634 58.000 0.023 0.000 1.113 223 F CB 0.981 39.950 39.000 -0.051 0.000 1.349 223 F HN 0.479 nan 8.300 nan 0.000 0.470 224 A N 4.046 126.940 122.820 0.123 0.000 2.469 224 A HA 0.234 4.552 4.320 -0.003 0.000 0.245 224 A C -0.517 176.771 177.584 -0.493 0.000 1.221 224 A CA 0.144 52.028 52.037 -0.255 0.000 0.946 224 A CB -0.155 18.603 19.000 -0.405 0.000 1.049 224 A HN 0.521 nan 8.150 nan 0.000 0.529 225 Y N 0.038 120.353 120.300 0.024 0.000 2.658 225 Y HA 0.289 4.837 4.550 -0.004 0.000 0.273 225 Y C 0.433 176.386 175.900 0.088 0.000 0.992 225 Y CA -0.666 57.512 58.100 0.129 0.000 1.105 225 Y CB 0.205 38.727 38.460 0.103 0.000 1.188 225 Y HN 0.366 nan 8.280 nan 0.000 0.616 226 Q N 0.850 120.551 119.800 -0.165 0.000 2.262 226 Q HA 0.360 4.699 4.340 -0.003 0.000 0.272 226 Q C 1.079 177.045 176.000 -0.055 0.000 1.076 226 Q CA 1.428 57.027 55.803 -0.340 0.000 0.905 226 Q CB 0.272 28.604 28.738 -0.677 0.000 1.182 226 Q HN 0.853 nan 8.270 nan 0.000 0.390 227 G N 3.329 112.109 108.800 -0.034 0.000 2.231 227 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.206 227 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.206 227 G C 0.129 174.906 174.900 -0.204 0.000 0.996 227 G CA -0.092 44.918 45.100 -0.150 0.000 0.645 227 G HN 0.660 nan 8.290 nan 0.000 0.498 228 F N 1.484 121.448 119.950 0.024 0.000 2.765 228 F HA 0.590 5.116 4.527 -0.002 0.000 0.302 228 F C 2.287 178.098 175.800 0.019 0.000 1.111 228 F CA 1.123 59.134 58.000 0.017 0.000 1.359 228 F CB 0.374 39.414 39.000 0.068 0.000 1.097 228 F HN 0.383 nan 8.300 nan 0.000 0.577 229 A N 0.424 123.353 122.820 0.182 0.000 2.051 229 A HA 0.232 4.550 4.320 -0.003 0.000 0.218 229 A C 1.977 179.618 177.584 0.095 0.000 1.575 229 A CA 0.372 52.501 52.037 0.152 0.000 0.700 229 A CB -0.009 19.107 19.000 0.195 0.000 1.245 229 A HN 0.215 nan 8.150 nan 0.000 0.536 230 R N -1.877 118.672 120.500 0.082 0.000 2.310 230 R HA 0.442 4.780 4.340 -0.003 0.000 0.199 230 R C 0.638 176.939 176.300 0.003 0.000 0.891 230 R CA 0.703 56.832 56.100 0.047 0.000 1.060 230 R CB 1.070 31.411 30.300 0.069 0.000 1.188 230 R HN 0.677 nan 8.270 nan 0.000 0.607 234 E N 1.415 121.617 120.200 0.003 0.000 2.072 234 E HA -0.123 4.225 4.350 -0.003 0.000 0.191 234 E C 1.668 178.293 176.600 0.041 0.000 0.985 234 E CA 1.518 57.930 56.400 0.021 0.000 0.801 234 E CB 0.036 29.746 29.700 0.017 0.000 0.750 234 E HN 0.570 nan 8.360 nan 0.000 0.452 235 E N 0.102 120.328 120.200 0.044 0.000 2.511 235 E HA -0.107 4.241 4.350 -0.003 0.000 0.196 235 E C 0.300 176.968 176.600 0.112 0.000 1.066 235 E CA 0.631 57.073 56.400 0.070 0.000 0.871 235 E CB 0.155 29.892 29.700 0.063 0.000 0.863 235 E HN 0.162 nan 8.360 nan 0.000 0.520 236 D N 0.996 121.473 120.400 0.128 0.000 2.346 236 D HA 0.139 4.777 4.640 -0.003 0.000 0.206 236 D C 1.382 177.896 176.300 0.356 0.000 1.001 236 D CA 0.830 54.964 54.000 0.223 0.000 0.871 236 D CB 0.445 41.340 40.800 0.158 0.000 0.943 236 D HN 0.296 nan 8.370 nan 0.000 0.518 237 A N 0.031 123.003 122.820 0.253 0.000 2.267 237 A HA 0.088 4.406 4.320 -0.003 0.000 0.213 237 A C 1.759 179.293 177.584 -0.084 0.000 1.192 237 A CA 0.035 52.184 52.037 0.187 0.000 0.851 237 A CB -0.035 19.091 19.000 0.210 0.000 0.881 237 A HN 0.018 nan 8.150 nan 0.000 0.494 238 E N 0.176 120.356 120.200 -0.034 0.000 2.086 238 E HA -0.254 4.094 4.350 -0.003 0.000 0.205 238 E C 2.088 178.559 176.600 -0.216 0.000 1.027 238 E CA 1.502 57.868 56.400 -0.057 0.000 0.830 238 E CB -0.343 29.381 29.700 0.040 0.000 0.751 238 E HN 0.606 nan 8.360 nan 0.000 0.456 239 G N 1.390 109.872 108.800 -0.529 0.000 2.491 239 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.218 239 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.218 239 G C 1.494 175.879 174.900 -0.858 0.000 1.180 239 G CA 0.744 45.089 45.100 -1.258 0.000 0.774 239 G HN 0.240 nan 8.290 nan 0.000 0.562 240 L N 0.333 120.968 121.223 -0.979 0.000 2.079 240 L HA -0.048 4.290 4.340 -0.003 0.000 0.210 240 L C 2.974 179.566 176.870 -0.464 0.000 1.081 240 L CA 1.407 55.563 54.840 -1.140 0.000 0.752 240 L CB -0.274 41.059 42.059 -1.211 0.000 0.896 240 L HN 0.231 nan 8.230 nan 0.000 0.433 241 R N -0.347 120.011 120.500 -0.237 0.000 2.189 241 R HA -0.042 4.296 4.340 -0.003 0.000 0.218 241 R C 2.114 178.414 176.300 0.001 0.000 1.074 241 R CA 0.944 57.018 56.100 -0.043 0.000 0.991 241 R CB -0.258 30.041 30.300 -0.002 0.000 0.883 241 R HN 0.433 nan 8.270 nan 0.000 0.457 242 A N 0.579 123.403 122.820 0.007 0.000 1.929 242 A HA -0.074 4.244 4.320 -0.003 0.000 0.216 242 A C 1.706 179.395 177.584 0.175 0.000 1.176 242 A CA 0.856 52.955 52.037 0.103 0.000 0.628 242 A CB -0.319 18.777 19.000 0.161 0.000 0.816 242 A HN 0.120 nan 8.150 nan 0.000 0.444 243 F N 0.113 120.031 119.950 -0.053 0.000 2.149 243 F HA 0.056 4.581 4.527 -0.004 0.000 0.294 243 F C 2.777 178.591 175.800 0.023 0.000 1.095 243 F CA 0.713 58.716 58.000 0.006 0.000 1.276 243 F CB -0.661 38.308 39.000 -0.051 0.000 1.023 243 F HN 0.235 nan 8.300 nan 0.000 0.480 244 A N -0.005 122.893 122.820 0.131 0.000 1.986 244 A HA -0.149 4.170 4.320 -0.003 0.000 0.220 244 A C 2.377 179.967 177.584 0.011 0.000 1.171 244 A CA 1.846 53.896 52.037 0.021 0.000 0.640 244 A CB -1.271 17.669 19.000 -0.099 0.000 0.811 244 A HN 0.317 nan 8.150 nan 0.000 0.451 245 A N -0.822 122.019 122.820 0.034 0.000 1.969 245 A HA -0.023 4.295 4.320 -0.003 0.000 0.218 245 A C 2.167 179.770 177.584 0.031 0.000 1.169 245 A CA 1.668 53.715 52.037 0.016 0.000 0.635 245 A CB -0.376 18.635 19.000 0.019 0.000 0.810 245 A HN 0.531 nan 8.150 nan 0.000 0.445 246 M N -1.263 118.386 119.600 0.082 0.000 2.516 246 M HA 0.142 4.620 4.480 -0.003 0.000 0.259 246 M C 0.185 176.520 176.300 0.058 0.000 1.146 246 M CA 0.351 55.681 55.300 0.050 0.000 1.122 246 M CB -0.160 32.453 32.600 0.022 0.000 1.341 246 M HN 0.347 nan 8.290 nan 0.000 0.478 247 H N 0.513 119.595 119.070 0.021 0.000 2.483 247 H HA 0.240 4.794 4.556 -0.003 0.000 0.338 247 H C 0.453 175.798 175.328 0.028 0.000 1.152 247 H CA -0.200 55.878 56.048 0.050 0.000 1.264 247 H CB 2.148 31.994 29.762 0.141 0.000 1.510 247 H HN 0.043 nan 8.280 nan 0.000 0.530 248 K N 0.974 121.459 120.400 0.142 0.000 2.098 248 K HA 0.008 4.326 4.320 -0.003 0.000 0.203 248 K C -0.131 176.537 176.600 0.112 0.000 1.051 248 K CA 0.955 57.292 56.287 0.084 0.000 0.957 248 K CB 0.425 32.960 32.500 0.058 0.000 0.738 248 K HN 0.641 nan 8.250 nan 0.000 0.447 249 E N 0.532 120.841 120.200 0.182 0.000 2.317 249 E HA 0.520 4.869 4.350 -0.003 0.000 0.270 249 E C -1.113 175.631 176.600 0.240 0.000 0.885 249 E CA -0.755 55.759 56.400 0.190 0.000 0.760 249 E CB 2.282 32.097 29.700 0.191 0.000 1.227 249 E HN 0.029 nan 8.360 nan 0.000 0.434 250 L N -0.836 120.509 121.223 0.204 0.000 2.789 250 L HA 0.654 4.992 4.340 -0.003 0.000 0.258 250 L C -1.612 175.383 176.870 0.210 0.000 0.966 250 L CA -1.126 53.845 54.840 0.220 0.000 0.916 250 L CB 1.092 43.273 42.059 0.204 0.000 1.475 250 L HN 0.702 nan 8.230 nan 0.000 0.418 251 I N 0.949 121.654 120.570 0.225 0.000 2.740 251 I HA 0.928 5.096 4.170 -0.003 0.000 0.303 251 I C -1.409 174.833 176.117 0.207 0.000 1.044 251 I CA -0.756 60.664 61.300 0.200 0.000 1.064 251 I CB 2.434 40.546 38.000 0.186 0.000 1.249 251 I HN 0.475 nan 8.210 nan 0.000 0.433 252 V N 5.554 125.564 119.914 0.161 0.000 2.525 252 V HA 0.765 4.883 4.120 -0.003 0.000 0.299 252 V C -0.033 176.122 176.094 0.101 0.000 1.034 252 V CA -0.487 61.889 62.300 0.128 0.000 0.863 252 V CB 1.253 33.095 31.823 0.031 0.000 0.999 252 V HN 0.970 nan 8.190 nan 0.000 0.423 253 A N 3.737 126.628 122.820 0.120 0.000 2.253 253 A HA 0.812 5.130 4.320 -0.003 0.000 0.316 253 A C 0.264 177.877 177.584 0.048 0.000 1.327 253 A CA -0.255 51.834 52.037 0.087 0.000 0.917 253 A CB 0.633 19.705 19.000 0.120 0.000 1.162 253 A HN 1.096 nan 8.150 nan 0.000 0.535 254 S N 1.695 117.378 115.700 -0.029 0.000 2.536 254 S HA 0.802 5.270 4.470 -0.003 0.000 0.298 254 S C -0.252 174.209 174.600 -0.232 0.000 1.083 254 S CA -0.512 57.616 58.200 -0.120 0.000 0.995 254 S CB 1.774 64.853 63.200 -0.203 0.000 1.058 254 S HN 0.865 nan 8.310 nan 0.000 0.488 255 S N 0.615 116.141 115.700 -0.290 0.000 2.532 255 S HA 0.640 5.108 4.470 -0.003 0.000 0.301 255 S C -1.282 173.110 174.600 -0.346 0.000 1.083 255 S CA -0.554 57.482 58.200 -0.274 0.000 1.025 255 S CB 0.676 63.740 63.200 -0.226 0.000 1.056 255 S HN 0.717 nan 8.310 nan 0.000 0.494 256 Y N 1.809 122.065 120.300 -0.073 0.000 2.660 256 Y HA 0.329 4.877 4.550 -0.004 0.000 0.254 256 Y C 2.031 177.903 175.900 -0.047 0.000 1.176 256 Y CA -0.256 57.819 58.100 -0.041 0.000 1.195 256 Y CB 0.125 38.488 38.460 -0.162 0.000 1.190 256 Y HN 0.560 nan 8.280 nan 0.000 0.535 257 S N 0.063 115.756 115.700 -0.013 0.000 2.368 257 S HA -0.139 4.329 4.470 -0.003 0.000 0.224 257 S C 1.877 176.185 174.600 -0.486 0.000 1.029 257 S CA 1.478 59.586 58.200 -0.152 0.000 0.988 257 S CB 0.076 63.246 63.200 -0.049 0.000 0.838 257 S HN 0.477 nan 8.310 nan 0.000 0.462 258 K N 1.458 121.710 120.400 -0.246 0.000 2.168 258 K HA 0.097 4.415 4.320 -0.003 0.000 0.201 258 K C 1.695 178.414 176.600 0.198 0.000 1.049 258 K CA 1.023 57.237 56.287 -0.122 0.000 0.974 258 K CB -0.313 32.075 32.500 -0.187 0.000 0.792 258 K HN 0.545 nan 8.250 nan 0.000 0.463 259 N N -0.129 118.765 118.700 0.323 0.000 2.463 259 N HA -0.053 4.685 4.740 -0.003 0.000 0.181 259 N C 0.753 176.408 175.510 0.241 0.000 1.078 259 N CA 0.455 53.703 53.050 0.331 0.000 0.902 259 N CB 0.099 38.773 38.487 0.312 0.000 0.970 259 N HN 0.024 nan 8.380 nan 0.000 0.451 260 F N 0.142 120.175 119.950 0.138 0.000 2.729 260 F HA 0.396 4.923 4.527 -0.001 0.000 0.315 260 F C 1.381 177.151 175.800 -0.051 0.000 1.102 260 F CA -0.173 57.871 58.000 0.074 0.000 1.204 260 F CB 0.851 39.773 39.000 -0.131 0.000 1.052 260 F HN 0.094 nan 8.300 nan 0.000 0.551 261 G N 1.135 109.883 108.800 -0.088 0.000 2.321 261 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.287 261 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.287 261 G C 0.624 175.382 174.900 -0.237 0.000 1.018 261 G CA 0.274 45.187 45.100 -0.311 0.000 0.855 261 G HN 0.230 nan 8.290 nan 0.000 0.507 262 L N -0.414 120.682 121.223 -0.213 0.000 2.791 262 L HA 0.294 4.632 4.340 -0.003 0.000 0.239 262 L C 2.156 179.009 176.870 -0.027 0.000 1.203 262 L CA -0.507 54.302 54.840 -0.052 0.000 1.002 262 L CB -1.576 40.477 42.059 -0.010 0.000 1.295 262 L HN 0.410 nan 8.230 nan 0.000 0.504 263 Y N 1.110 121.454 120.300 0.073 0.000 2.150 263 Y HA -0.403 4.145 4.550 -0.003 0.000 0.264 263 Y C 2.256 178.170 175.900 0.023 0.000 1.278 263 Y CA 2.205 60.330 58.100 0.042 0.000 1.089 263 Y CB -0.966 37.520 38.460 0.044 0.000 0.903 263 Y HN 0.530 nan 8.280 nan 0.000 0.513 264 N N -0.663 118.145 118.700 0.179 0.000 2.336 264 N HA -0.061 4.677 4.740 -0.003 0.000 0.189 264 N C 0.840 176.375 175.510 0.042 0.000 1.113 264 N CA 0.745 53.850 53.050 0.092 0.000 0.858 264 N CB -0.237 38.293 38.487 0.072 0.000 0.970 264 N HN 0.405 nan 8.380 nan 0.000 0.471 265 E N 0.822 121.043 120.200 0.036 0.000 2.385 265 E HA 0.066 4.414 4.350 -0.003 0.000 0.194 265 E C -0.266 176.321 176.600 -0.022 0.000 1.013 265 E CA 0.004 56.410 56.400 0.009 0.000 0.866 265 E CB 0.140 29.861 29.700 0.034 0.000 0.832 265 E HN 0.230 nan 8.360 nan 0.000 0.500 266 R N -0.072 120.418 120.500 -0.017 0.000 2.496 266 R HA -0.110 4.228 4.340 -0.003 0.000 0.326 266 R C -1.016 175.243 176.300 -0.068 0.000 1.032 266 R CA 0.214 56.291 56.100 -0.039 0.000 0.827 266 R CB -2.463 27.801 30.300 -0.059 0.000 2.368 266 R HN -0.077 nan 8.270 nan 0.000 0.490 267 V N 0.861 120.757 119.914 -0.031 0.000 2.525 267 V HA 0.915 5.034 4.120 -0.003 0.000 0.299 267 V C 0.829 177.002 176.094 0.132 0.000 1.034 267 V CA -0.023 62.276 62.300 -0.001 0.000 0.863 267 V CB 2.316 34.131 31.823 -0.013 0.000 0.999 267 V HN 0.860 nan 8.190 nan 0.000 0.423 268 G N 2.636 111.548 108.800 0.186 0.000 2.550 268 G HA2 0.873 4.832 3.960 -0.003 0.000 0.293 268 G HA3 0.873 4.832 3.960 -0.003 0.000 0.293 268 G C -1.621 173.432 174.900 0.256 0.000 1.402 268 G CA -0.035 45.156 45.100 0.152 0.000 0.784 268 G HN 1.227 nan 8.290 nan 0.000 0.482 269 A N -1.315 121.569 122.820 0.107 0.000 2.486 269 A HA 0.627 4.945 4.320 -0.003 0.000 0.300 269 A C -0.935 176.690 177.584 0.069 0.000 1.048 269 A CA -0.365 51.753 52.037 0.135 0.000 0.696 269 A CB 1.507 20.545 19.000 0.063 0.000 1.278 269 A HN 1.727 nan 8.150 nan 0.000 0.405 270 C N 2.360 121.731 119.300 0.118 0.000 2.223 270 C HA 0.691 5.149 4.460 -0.003 0.000 0.324 270 C C 0.300 175.367 174.990 0.129 0.000 1.196 270 C CA 0.087 59.170 59.018 0.108 0.000 1.628 270 C CB -1.090 26.711 27.740 0.101 0.000 2.229 270 C HN 0.733 nan 8.230 nan 0.000 0.486 271 T N 6.969 121.584 114.554 0.102 0.000 2.770 271 T HA 0.322 4.670 4.350 -0.003 0.000 0.297 271 T C -0.420 174.372 174.700 0.153 0.000 0.997 271 T CA -0.193 61.981 62.100 0.124 0.000 0.949 271 T CB 0.658 69.570 68.868 0.074 0.000 0.941 271 T HN 0.505 nan 8.240 nan 0.000 0.457 272 L N 6.489 127.804 121.223 0.154 0.000 2.255 272 L HA 0.575 4.913 4.340 -0.003 0.000 0.289 272 L C -0.221 176.720 176.870 0.118 0.000 1.046 272 L CA -0.587 54.328 54.840 0.125 0.000 0.816 272 L CB 0.589 42.722 42.059 0.123 0.000 1.197 272 L HN 0.487 nan 8.230 nan 0.000 0.427 273 V N 3.968 123.952 119.914 0.117 0.000 2.459 273 V HA 1.012 5.130 4.120 -0.003 0.000 0.295 273 V C -0.243 175.900 176.094 0.081 0.000 1.029 273 V CA 0.019 62.357 62.300 0.063 0.000 0.874 273 V CB 1.195 33.004 31.823 -0.024 0.000 0.985 273 V HN 0.965 nan 8.190 nan 0.000 0.438 274 A N 4.400 127.255 122.820 0.058 0.000 2.387 274 A HA 0.941 5.259 4.320 -0.003 0.000 0.303 274 A C 1.237 178.845 177.584 0.039 0.000 1.145 274 A CA -0.300 51.781 52.037 0.073 0.000 0.801 274 A CB 1.438 20.490 19.000 0.086 0.000 1.342 274 A HN 2.072 nan 8.150 nan 0.000 0.440 275 A N -0.012 122.836 122.820 0.046 0.000 1.948 275 A HA 0.046 4.365 4.320 -0.003 0.000 0.220 275 A C 0.774 178.364 177.584 0.009 0.000 1.177 275 A CA 2.315 54.367 52.037 0.026 0.000 0.636 275 A CB -0.603 18.415 19.000 0.030 0.000 0.815 275 A HN 1.058 nan 8.150 nan 0.000 0.449 276 D N -3.668 116.741 120.400 0.015 0.000 2.615 276 D HA 0.220 4.858 4.640 -0.003 0.000 0.267 276 D C 0.741 177.047 176.300 0.009 0.000 1.236 276 D CA 0.243 54.246 54.000 0.005 0.000 0.839 276 D CB 0.545 41.349 40.800 0.006 0.000 1.380 276 D HN 0.133 nan 8.370 nan 0.000 0.433 277 S N -0.145 115.555 115.700 -0.001 0.000 2.382 277 S HA -0.237 4.231 4.470 -0.003 0.000 0.228 277 S C 1.465 176.073 174.600 0.013 0.000 1.027 277 S CA 1.345 59.543 58.200 -0.003 0.000 0.991 277 S CB -0.423 62.769 63.200 -0.014 0.000 0.823 277 S HN 0.590 nan 8.310 nan 0.000 0.469 278 E N 1.443 121.654 120.200 0.018 0.000 2.085 278 E HA -0.145 4.203 4.350 -0.003 0.000 0.194 278 E C 1.901 178.529 176.600 0.045 0.000 0.994 278 E CA 1.840 58.257 56.400 0.028 0.000 0.801 278 E CB -0.577 29.138 29.700 0.024 0.000 0.743 278 E HN 0.675 nan 8.360 nan 0.000 0.453 279 T N 0.868 115.451 114.554 0.048 0.000 2.668 279 T HA -0.117 4.231 4.350 -0.003 0.000 0.262 279 T C 1.951 176.706 174.700 0.092 0.000 1.045 279 T CA 1.306 63.447 62.100 0.069 0.000 1.152 279 T CB -0.611 68.297 68.868 0.066 0.000 0.864 279 T HN 0.090 nan 8.240 nan 0.000 0.419 280 V N 1.841 121.801 119.914 0.077 0.000 2.568 280 V HA -0.231 3.888 4.120 -0.003 0.000 0.253 280 V C 1.956 178.119 176.094 0.116 0.000 1.072 280 V CA 2.131 64.487 62.300 0.093 0.000 1.084 280 V CB -0.666 31.186 31.823 0.049 0.000 0.676 280 V HN 0.393 nan 8.190 nan 0.000 0.469 281 D N -0.467 119.982 120.400 0.081 0.000 2.084 281 D HA -0.152 4.486 4.640 -0.003 0.000 0.194 281 D C 2.426 178.815 176.300 0.148 0.000 0.990 281 D CA 1.499 55.556 54.000 0.094 0.000 0.826 281 D CB -0.203 40.630 40.800 0.055 0.000 0.971 281 D HN 0.346 nan 8.370 nan 0.000 0.453 282 R N -0.037 120.536 120.500 0.122 0.000 2.081 282 R HA -0.060 4.279 4.340 -0.003 0.000 0.235 282 R C 2.143 178.542 176.300 0.166 0.000 1.131 282 R CA 1.243 57.417 56.100 0.123 0.000 0.960 282 R CB -0.197 30.161 30.300 0.097 0.000 0.856 282 R HN 0.133 nan 8.270 nan 0.000 0.436 283 A N 0.329 123.269 122.820 0.199 0.000 1.865 283 A HA -0.221 4.097 4.320 -0.003 0.000 0.217 283 A C 1.988 179.716 177.584 0.240 0.000 1.191 283 A CA 1.359 53.564 52.037 0.281 0.000 0.623 283 A CB -0.855 18.312 19.000 0.278 0.000 0.826 283 A HN 0.426 nan 8.150 nan 0.000 0.444 284 F N 1.879 121.845 119.950 0.027 0.000 2.161 284 F HA -0.232 4.293 4.527 -0.003 0.000 0.300 284 F C 2.832 178.640 175.800 0.014 0.000 1.089 284 F CA 1.960 59.940 58.000 -0.034 0.000 1.282 284 F CB -0.205 38.781 39.000 -0.025 0.000 1.010 284 F HN 0.350 nan 8.300 nan 0.000 0.485 285 S N -0.643 115.162 115.700 0.175 0.000 2.400 285 S HA -0.249 4.219 4.470 -0.003 0.000 0.232 285 S C 1.866 176.473 174.600 0.012 0.000 1.025 285 S CA 1.281 59.534 58.200 0.088 0.000 0.993 285 S CB -0.528 62.735 63.200 0.106 0.000 0.808 285 S HN 0.504 nan 8.310 nan 0.000 0.478 286 Q N 0.345 120.185 119.800 0.067 0.000 2.212 286 Q HA 0.177 4.515 4.340 -0.003 0.000 0.199 286 Q C 2.112 178.157 176.000 0.075 0.000 0.950 286 Q CA 1.049 56.916 55.803 0.106 0.000 0.863 286 Q CB -0.398 28.466 28.738 0.211 0.000 0.944 286 Q HN 0.756 nan 8.270 nan 0.000 0.465 287 M N 0.589 120.147 119.600 -0.071 0.000 2.229 287 M HA -0.138 4.340 4.480 -0.003 0.000 0.264 287 M C 1.530 177.617 176.300 -0.354 0.000 1.063 287 M CA 1.404 56.532 55.300 -0.285 0.000 1.114 287 M CB 0.155 32.332 32.600 -0.704 0.000 1.387 287 M HN -0.048 nan 8.290 nan 0.000 0.420 288 K N -0.007 120.146 120.400 -0.411 0.000 2.217 288 K HA -0.001 4.317 4.320 -0.003 0.000 0.202 288 K C 1.920 178.416 176.600 -0.173 0.000 1.051 288 K CA 1.062 57.166 56.287 -0.305 0.000 0.952 288 K CB -0.110 32.264 32.500 -0.209 0.000 0.736 288 K HN 0.424 nan 8.250 nan 0.000 0.453 289 A N 1.568 124.321 122.820 -0.112 0.000 1.929 289 A HA -0.006 4.313 4.320 -0.003 0.000 0.216 289 A C 2.357 179.897 177.584 -0.073 0.000 1.176 289 A CA 1.487 53.482 52.037 -0.069 0.000 0.628 289 A CB -0.395 18.590 19.000 -0.024 0.000 0.816 289 A HN 0.278 nan 8.150 nan 0.000 0.444 290 A N 0.004 122.791 122.820 -0.055 0.000 1.930 290 A HA -0.036 4.282 4.320 -0.003 0.000 0.217 290 A C 2.075 179.587 177.584 -0.120 0.000 1.175 290 A CA 1.434 53.448 52.037 -0.038 0.000 0.627 290 A CB -0.543 18.480 19.000 0.038 0.000 0.815 290 A HN 0.487 nan 8.150 nan 0.000 0.443 291 I N -1.051 119.395 120.570 -0.206 0.000 2.202 291 I HA -0.213 3.955 4.170 -0.003 0.000 0.242 291 I C 2.603 178.431 176.117 -0.481 0.000 1.091 291 I CA 1.606 62.646 61.300 -0.434 0.000 1.368 291 I CB -0.225 37.540 38.000 -0.391 0.000 1.058 291 I HN 0.268 nan 8.210 nan 0.000 0.410 292 R N 1.816 122.142 120.500 -0.290 0.000 2.159 292 R HA -0.121 4.217 4.340 -0.003 0.000 0.237 292 R C 1.868 178.064 176.300 -0.174 0.000 1.131 292 R CA 1.796 57.764 56.100 -0.219 0.000 0.982 292 R CB -0.532 29.682 30.300 -0.143 0.000 0.868 292 R HN 0.379 nan 8.270 nan 0.000 0.453 293 A N -1.136 121.596 122.820 -0.147 0.000 2.218 293 A HA 0.087 4.405 4.320 -0.003 0.000 0.209 293 A C 1.611 179.148 177.584 -0.078 0.000 1.168 293 A CA 0.705 52.688 52.037 -0.089 0.000 0.804 293 A CB -0.483 18.483 19.000 -0.057 0.000 0.834 293 A HN 0.587 nan 8.150 nan 0.000 0.482 294 N N -1.562 117.055 118.700 -0.139 0.000 2.518 294 N HA 0.060 4.798 4.740 -0.003 0.000 0.230 294 N C 1.336 176.837 175.510 -0.014 0.000 1.022 294 N CA 0.774 53.783 53.050 -0.068 0.000 1.172 294 N CB 0.069 38.517 38.487 -0.066 0.000 1.498 294 N HN 0.401 nan 8.380 nan 0.000 0.602 295 Y N -1.600 118.701 120.300 0.002 0.000 2.445 295 Y HA 0.564 5.112 4.550 -0.003 0.000 0.247 295 Y C 1.310 177.212 175.900 0.003 0.000 1.129 295 Y CA 0.130 58.234 58.100 0.007 0.000 1.251 295 Y CB 0.205 38.672 38.460 0.012 0.000 1.176 295 Y HN 0.156 nan 8.280 nan 0.000 0.522 296 S N 0.676 116.221 115.700 -0.258 0.000 1.341 296 S HA -0.276 4.192 4.470 -0.003 0.000 0.249 296 S C -0.256 174.269 174.600 -0.123 0.000 0.629 296 S CA 1.600 59.700 58.200 -0.167 0.000 1.126 296 S CB -1.875 61.281 63.200 -0.073 0.000 1.168 296 S HN 0.974 nan 8.310 nan 0.000 0.497 297 N N 1.282 120.044 118.700 0.103 0.000 2.710 297 N HA 0.705 5.443 4.740 -0.003 0.000 0.257 297 N C -3.365 172.362 175.510 0.361 0.000 1.327 297 N CA -1.314 51.846 53.050 0.185 0.000 0.861 297 N CB 1.433 39.989 38.487 0.115 0.000 1.532 297 N HN 0.287 nan 8.380 nan 0.000 0.499 298 P HA 0.370 nan 4.420 nan 0.000 0.278 298 P C -2.645 174.663 177.300 0.013 0.000 1.258 298 P CA -1.314 61.848 63.100 0.103 0.000 0.811 298 P CB -0.115 31.610 31.700 0.041 0.000 1.063 299 P HA 0.111 nan 4.420 nan 0.000 0.276 299 P C 0.407 177.658 177.300 -0.081 0.000 1.243 299 P CA -0.013 63.059 63.100 -0.046 0.000 0.768 299 P CB 0.670 32.333 31.700 -0.061 0.000 0.856 300 A N 3.485 126.272 122.820 -0.055 0.000 1.898 300 A HA -0.227 4.091 4.320 -0.003 0.000 0.216 300 A C 2.126 179.630 177.584 -0.133 0.000 1.181 300 A CA 1.778 53.756 52.037 -0.098 0.000 0.620 300 A CB -1.774 17.185 19.000 -0.068 0.000 0.819 300 A HN 0.687 nan 8.150 nan 0.000 0.442 301 H N -0.436 118.568 119.070 -0.110 0.000 2.260 301 H HA -0.204 4.350 4.556 -0.003 0.000 0.288 301 H C 2.128 177.370 175.328 -0.144 0.000 1.094 301 H CA 2.715 58.700 56.048 -0.104 0.000 1.197 301 H CB -0.455 29.264 29.762 -0.072 0.000 1.346 301 H HN 0.394 nan 8.280 nan 0.000 0.486 302 G N -1.291 107.455 108.800 -0.090 0.000 2.484 302 G HA2 -0.049 3.909 3.960 -0.003 0.000 0.218 302 G HA3 -0.049 3.909 3.960 -0.003 0.000 0.218 302 G C 1.656 176.349 174.900 -0.345 0.000 1.130 302 G CA 0.561 45.563 45.100 -0.163 0.000 0.784 302 G HN 0.616 nan 8.290 nan 0.000 0.543 303 A N 0.301 122.857 122.820 -0.440 0.000 2.030 303 A HA 0.278 4.596 4.320 -0.003 0.000 0.215 303 A C 2.555 179.857 177.584 -0.471 0.000 1.164 303 A CA 1.581 53.203 52.037 -0.692 0.000 0.697 303 A CB -0.184 18.166 19.000 -1.084 0.000 0.827 303 A HN 0.227 nan 8.150 nan 0.000 0.457 304 S N -0.270 115.208 115.700 -0.371 0.000 2.383 304 S HA -0.106 4.362 4.470 -0.003 0.000 0.227 304 S C 1.896 176.305 174.600 -0.318 0.000 1.026 304 S CA 1.375 59.398 58.200 -0.295 0.000 0.981 304 S CB -0.274 62.761 63.200 -0.275 0.000 0.818 304 S HN 0.333 nan 8.310 nan 0.000 0.472 305 V N 1.364 121.059 119.914 -0.364 0.000 2.295 305 V HA -0.135 3.984 4.120 -0.003 0.000 0.246 305 V C 2.301 178.183 176.094 -0.353 0.000 1.049 305 V CA 1.480 63.594 62.300 -0.311 0.000 1.024 305 V CB -0.662 31.019 31.823 -0.237 0.000 0.648 305 V HN 0.330 nan 8.190 nan 0.000 0.447 306 V N 0.178 119.772 119.914 -0.533 0.000 2.343 306 V HA -0.247 3.871 4.120 -0.003 0.000 0.247 306 V C 2.679 178.448 176.094 -0.541 0.000 1.051 306 V CA 1.975 63.752 62.300 -0.871 0.000 1.036 306 V CB -1.116 29.982 31.823 -1.208 0.000 0.654 306 V HN 0.559 nan 8.190 nan 0.000 0.451 307 A N -0.207 122.416 122.820 -0.329 0.000 1.865 307 A HA -0.253 4.065 4.320 -0.003 0.000 0.217 307 A C 2.413 179.857 177.584 -0.233 0.000 1.191 307 A CA 2.650 54.562 52.037 -0.209 0.000 0.623 307 A CB -1.187 17.746 19.000 -0.112 0.000 0.826 307 A HN 0.482 nan 8.150 nan 0.000 0.444 308 T N 0.489 114.881 114.554 -0.270 0.000 2.665 308 T HA -0.172 4.176 4.350 -0.003 0.000 0.268 308 T C 1.785 176.339 174.700 -0.244 0.000 1.035 308 T CA 1.776 63.685 62.100 -0.318 0.000 1.151 308 T CB -0.495 68.134 68.868 -0.399 0.000 0.862 308 T HN 0.439 nan 8.240 nan 0.000 0.438 309 I N 0.418 120.867 120.570 -0.202 0.000 2.202 309 I HA -0.092 4.076 4.170 -0.003 0.000 0.242 309 I C 2.202 178.262 176.117 -0.094 0.000 1.091 309 I CA 1.184 62.417 61.300 -0.111 0.000 1.368 309 I CB -0.365 37.609 38.000 -0.042 0.000 1.058 309 I HN 0.186 nan 8.210 nan 0.000 0.410 310 L N -0.300 120.826 121.223 -0.161 0.000 2.217 310 L HA -0.118 4.220 4.340 -0.003 0.000 0.211 310 L C 2.541 179.362 176.870 -0.080 0.000 1.107 310 L CA 0.783 55.552 54.840 -0.119 0.000 0.783 310 L CB -0.400 41.541 42.059 -0.196 0.000 0.919 310 L HN 0.149 nan 8.230 nan 0.000 0.442 311 S N -0.834 114.803 115.700 -0.106 0.000 2.395 311 S HA -0.049 4.419 4.470 -0.003 0.000 0.225 311 S C 1.033 175.595 174.600 -0.064 0.000 1.027 311 S CA 0.387 58.535 58.200 -0.087 0.000 0.965 311 S CB -0.187 62.944 63.200 -0.114 0.000 0.812 311 S HN 0.360 nan 8.310 nan 0.000 0.482 312 N N 1.510 120.167 118.700 -0.071 0.000 2.422 312 N HA 0.074 4.812 4.740 -0.003 0.000 0.264 312 N C -0.437 175.068 175.510 -0.009 0.000 1.063 312 N CA 0.016 53.039 53.050 -0.045 0.000 0.959 312 N CB 1.260 39.706 38.487 -0.068 0.000 1.087 312 N HN -0.028 nan 8.380 nan 0.000 0.483 313 D N 2.972 123.372 120.400 -0.001 0.000 2.149 313 D HA -0.102 4.537 4.640 -0.003 0.000 0.198 313 D C 1.573 177.883 176.300 0.017 0.000 0.990 313 D CA 1.274 55.281 54.000 0.011 0.000 0.839 313 D CB 0.147 40.951 40.800 0.006 0.000 0.948 313 D HN 0.681 nan 8.370 nan 0.000 0.460 314 A N 0.321 123.149 122.820 0.014 0.000 1.840 314 A HA -0.055 4.264 4.320 -0.003 0.000 0.214 314 A C 2.268 179.868 177.584 0.027 0.000 1.198 314 A CA 0.733 52.781 52.037 0.017 0.000 0.608 314 A CB -0.852 18.159 19.000 0.018 0.000 0.839 314 A HN 0.190 nan 8.150 nan 0.000 0.443 315 L N -0.810 120.430 121.223 0.029 0.000 2.127 315 L HA -0.189 4.150 4.340 -0.003 0.000 0.211 315 L C 2.778 179.709 176.870 0.102 0.000 1.089 315 L CA 1.790 56.658 54.840 0.047 0.000 0.757 315 L CB -0.446 41.621 42.059 0.014 0.000 0.899 315 L HN 0.519 nan 8.230 nan 0.000 0.434 316 R N 0.341 120.901 120.500 0.100 0.000 2.093 316 R HA -0.069 4.269 4.340 -0.003 0.000 0.224 316 R C 2.344 178.741 176.300 0.162 0.000 1.101 316 R CA 1.112 57.331 56.100 0.198 0.000 0.979 316 R CB -0.123 30.266 30.300 0.149 0.000 0.877 316 R HN 0.262 nan 8.270 nan 0.000 0.441 317 A N 0.924 123.781 122.820 0.062 0.000 1.930 317 A HA -0.074 4.244 4.320 -0.003 0.000 0.217 317 A C 2.080 179.641 177.584 -0.038 0.000 1.175 317 A CA 1.145 53.181 52.037 -0.002 0.000 0.627 317 A CB -0.382 18.614 19.000 -0.007 0.000 0.815 317 A HN 0.348 nan 8.150 nan 0.000 0.443 318 I N -2.316 118.253 120.570 -0.003 0.000 2.163 318 I HA -0.241 3.927 4.170 -0.003 0.000 0.240 318 I C 2.408 178.487 176.117 -0.062 0.000 1.081 318 I CA 1.572 62.857 61.300 -0.024 0.000 1.353 318 I CB -0.372 37.634 38.000 0.010 0.000 1.054 318 I HN 0.734 nan 8.210 nan 0.000 0.407 319 W N 2.298 123.517 121.300 -0.135 0.000 2.321 319 W HA -0.242 4.420 4.660 0.002 0.000 0.306 319 W C 2.217 178.577 176.519 -0.266 0.000 1.217 319 W CA 1.653 58.861 57.345 -0.228 0.000 1.257 319 W CB -0.254 29.035 29.460 -0.284 0.000 1.145 319 W HN 0.088 nan 8.180 nan 0.000 0.509 320 E N -0.397 119.396 120.200 -0.678 0.000 2.204 320 E HA -0.268 4.081 4.350 -0.003 0.000 0.194 320 E C 2.002 178.217 176.600 -0.643 0.000 0.989 320 E CA 1.237 57.071 56.400 -0.944 0.000 0.824 320 E CB -0.168 29.230 29.700 -0.503 0.000 0.756 320 E HN 0.227 nan 8.360 nan 0.000 0.477 321 Q N 1.177 120.729 119.800 -0.413 0.000 2.137 321 Q HA -0.123 4.215 4.340 -0.003 0.000 0.198 321 Q C 1.471 177.281 176.000 -0.316 0.000 0.960 321 Q CA 1.390 57.018 55.803 -0.292 0.000 0.847 321 Q CB 0.133 28.764 28.738 -0.179 0.000 0.915 321 Q HN 0.279 nan 8.270 nan 0.000 0.448 322 E N -0.197 119.791 120.200 -0.354 0.000 2.051 322 E HA -0.189 4.159 4.350 -0.003 0.000 0.192 322 E C 1.882 178.220 176.600 -0.436 0.000 0.991 322 E CA 1.120 57.329 56.400 -0.317 0.000 0.799 322 E CB -0.245 29.304 29.700 -0.252 0.000 0.748 322 E HN 0.246 nan 8.360 nan 0.000 0.449 323 L N 1.234 122.049 121.223 -0.680 0.000 1.989 323 L HA -0.192 4.147 4.340 -0.003 0.000 0.211 323 L C 2.655 179.179 176.870 -0.576 0.000 1.071 323 L CA 2.532 56.924 54.840 -0.747 0.000 0.749 323 L CB -1.095 40.338 42.059 -1.043 0.000 0.890 323 L HN 0.166 nan 8.230 nan 0.000 0.431 324 T N -2.407 111.856 114.554 -0.486 0.000 2.929 324 T HA -0.173 4.175 4.350 -0.003 0.000 0.271 324 T C 1.603 176.160 174.700 -0.237 0.000 1.085 324 T CA 1.601 63.504 62.100 -0.329 0.000 1.125 324 T CB -0.484 68.226 68.868 -0.263 0.000 0.874 324 T HN 0.429 nan 8.240 nan 0.000 0.494 325 D N 0.794 121.054 120.400 -0.234 0.000 2.091 325 D HA 0.031 4.669 4.640 -0.003 0.000 0.199 325 D C 2.220 178.449 176.300 -0.119 0.000 0.980 325 D CA 1.213 55.130 54.000 -0.139 0.000 0.831 325 D CB -0.367 40.367 40.800 -0.110 0.000 0.987 325 D HN 0.473 nan 8.370 nan 0.000 0.460 326 M N 0.195 119.643 119.600 -0.252 0.000 2.080 326 M HA -0.179 4.299 4.480 -0.003 0.000 0.260 326 M C 2.356 178.586 176.300 -0.116 0.000 1.068 326 M CA 1.359 56.436 55.300 -0.372 0.000 1.109 326 M CB -0.337 31.768 32.600 -0.826 0.000 1.342 326 M HN -0.057 nan 8.290 nan 0.000 0.405 327 R N 0.701 121.091 120.500 -0.183 0.000 2.083 327 R HA -0.206 4.132 4.340 -0.003 0.000 0.237 327 R C 2.038 178.337 176.300 -0.001 0.000 1.137 327 R CA 2.013 58.074 56.100 -0.064 0.000 0.951 327 R CB -0.232 29.968 30.300 -0.168 0.000 0.851 327 R HN 0.480 nan 8.270 nan 0.000 0.434 328 Q N -0.389 119.390 119.800 -0.036 0.000 2.172 328 Q HA -0.135 4.203 4.340 -0.003 0.000 0.200 328 Q C 2.229 178.248 176.000 0.031 0.000 0.964 328 Q CA 1.306 57.105 55.803 -0.007 0.000 0.855 328 Q CB -0.087 28.632 28.738 -0.031 0.000 0.918 328 Q HN 0.342 nan 8.270 nan 0.000 0.444 329 R N 0.823 121.361 120.500 0.063 0.000 2.115 329 R HA -0.090 4.248 4.340 -0.003 0.000 0.230 329 R C 1.968 178.330 176.300 0.103 0.000 1.111 329 R CA 0.823 56.981 56.100 0.096 0.000 0.976 329 R CB -0.047 30.352 30.300 0.165 0.000 0.870 329 R HN 0.249 nan 8.270 nan 0.000 0.445 330 I N 0.813 121.464 120.570 0.135 0.000 2.252 330 I HA -0.264 3.904 4.170 -0.003 0.000 0.245 330 I C 2.040 178.195 176.117 0.064 0.000 1.102 330 I CA 1.384 62.749 61.300 0.109 0.000 1.385 330 I CB -0.273 37.809 38.000 0.138 0.000 1.064 330 I HN 0.308 nan 8.210 nan 0.000 0.414 331 Q N -0.033 119.803 119.800 0.060 0.000 2.437 331 Q HA -0.150 4.188 4.340 -0.003 0.000 0.210 331 Q C 2.204 178.230 176.000 0.043 0.000 0.972 331 Q CA 0.629 56.462 55.803 0.050 0.000 0.903 331 Q CB -0.030 28.733 28.738 0.042 0.000 0.967 331 Q HN 0.391 nan 8.270 nan 0.000 0.486 332 R N 0.255 120.779 120.500 0.040 0.000 2.080 332 R HA 0.006 4.345 4.340 -0.003 0.000 0.222 332 R C 1.894 178.216 176.300 0.036 0.000 1.107 332 R CA 0.744 56.864 56.100 0.033 0.000 0.980 332 R CB 0.162 30.479 30.300 0.029 0.000 0.879 332 R HN 0.244 nan 8.270 nan 0.000 0.439 333 M N 1.029 120.649 119.600 0.032 0.000 2.229 333 M HA -0.147 4.331 4.480 -0.003 0.000 0.264 333 M C 2.175 178.508 176.300 0.055 0.000 1.063 333 M CA 1.434 56.747 55.300 0.023 0.000 1.114 333 M CB -0.853 31.737 32.600 -0.016 0.000 1.387 333 M HN 0.202 nan 8.290 nan 0.000 0.420 334 R N 0.353 120.890 120.500 0.061 0.000 2.115 334 R HA -0.089 4.249 4.340 -0.003 0.000 0.226 334 R C 1.726 178.091 176.300 0.107 0.000 1.100 334 R CA 0.967 57.130 56.100 0.105 0.000 0.980 334 R CB -0.338 30.014 30.300 0.086 0.000 0.875 334 R HN 0.418 nan 8.270 nan 0.000 0.445 335 Q N 0.951 120.791 119.800 0.067 0.000 2.123 335 Q HA -0.098 4.240 4.340 -0.003 0.000 0.199 335 Q C 2.206 178.229 176.000 0.038 0.000 0.966 335 Q CA 0.865 56.693 55.803 0.042 0.000 0.845 335 Q CB -0.283 28.473 28.738 0.030 0.000 0.907 335 Q HN 0.304 nan 8.270 nan 0.000 0.439 336 L N 0.475 121.731 121.223 0.055 0.000 2.141 336 L HA -0.101 4.237 4.340 -0.003 0.000 0.209 336 L C 2.097 179.017 176.870 0.084 0.000 1.094 336 L CA 1.278 56.149 54.840 0.051 0.000 0.763 336 L CB -0.515 41.571 42.059 0.045 0.000 0.908 336 L HN 0.042 nan 8.230 nan 0.000 0.437 337 F N -0.196 119.709 119.950 -0.076 0.000 2.128 337 F HA -0.106 4.418 4.527 -0.004 0.000 0.295 337 F C 2.344 178.051 175.800 -0.156 0.000 1.100 337 F CA 1.788 59.717 58.000 -0.118 0.000 1.260 337 F CB -0.763 38.162 39.000 -0.126 0.000 1.009 337 F HN 0.033 nan 8.300 nan 0.000 0.476 338 V N -1.107 118.647 119.914 -0.267 0.000 2.809 338 V HA -0.145 3.973 4.120 -0.003 0.000 0.256 338 V C 1.747 177.698 176.094 -0.238 0.000 1.080 338 V CA 2.227 64.293 62.300 -0.390 0.000 1.102 338 V CB -1.142 30.548 31.823 -0.221 0.000 0.705 338 V HN 0.416 nan 8.190 nan 0.000 0.475 339 N N 0.631 119.250 118.700 -0.135 0.000 2.148 339 N HA -0.089 4.650 4.740 -0.003 0.000 0.186 339 N C 1.823 177.279 175.510 -0.091 0.000 1.031 339 N CA 1.707 54.707 53.050 -0.083 0.000 0.848 339 N CB -0.241 38.223 38.487 -0.039 0.000 1.005 339 N HN 0.464 nan 8.380 nan 0.000 0.427 340 T N 1.148 115.650 114.554 -0.087 0.000 2.881 340 T HA -0.072 4.276 4.350 -0.003 0.000 0.270 340 T C 1.713 176.336 174.700 -0.129 0.000 1.068 340 T CA 0.579 62.635 62.100 -0.074 0.000 1.131 340 T CB -0.122 68.728 68.868 -0.032 0.000 0.871 340 T HN 0.051 nan 8.240 nan 0.000 0.479 341 L N 1.162 122.236 121.223 -0.249 0.000 2.072 341 L HA 0.050 4.388 4.340 -0.003 0.000 0.205 341 L C 2.541 179.303 176.870 -0.180 0.000 1.079 341 L CA 1.608 56.247 54.840 -0.336 0.000 0.752 341 L CB -0.721 40.912 42.059 -0.711 0.000 0.906 341 L HN 0.120 nan 8.230 nan 0.000 0.436 342 Q N -0.268 119.445 119.800 -0.146 0.000 2.297 342 Q HA -0.219 4.119 4.340 -0.003 0.000 0.204 342 Q C 1.912 177.883 176.000 -0.048 0.000 0.962 342 Q CA 1.415 57.178 55.803 -0.068 0.000 0.879 342 Q CB 0.155 28.857 28.738 -0.060 0.000 0.947 342 Q HN 0.731 nan 8.270 nan 0.000 0.462 343 E N -0.522 119.643 120.200 -0.058 0.000 2.190 343 E HA -0.062 4.286 4.350 -0.003 0.000 0.191 343 E C 0.775 177.354 176.600 -0.034 0.000 0.978 343 E CA 0.262 56.639 56.400 -0.038 0.000 0.839 343 E CB 0.326 30.005 29.700 -0.035 0.000 0.787 343 E HN -0.014 nan 8.360 nan 0.000 0.473 344 K N 0.576 120.948 120.400 -0.048 0.000 2.476 344 K HA 0.117 4.435 4.320 -0.003 0.000 0.196 344 K C 0.417 177.000 176.600 -0.028 0.000 1.025 344 K CA 0.623 56.886 56.287 -0.039 0.000 1.138 344 K CB 0.329 32.797 32.500 -0.053 0.000 0.860 344 K HN 0.276 nan 8.250 nan 0.000 0.515 345 G N 1.749 110.535 108.800 -0.022 0.000 2.385 345 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.294 345 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.294 345 G C 0.035 174.939 174.900 0.006 0.000 1.070 345 G CA 0.189 45.286 45.100 -0.005 0.000 1.172 345 G HN 0.445 nan 8.290 nan 0.000 0.516 346 A N 1.010 123.839 122.820 0.015 0.000 2.362 346 A HA 0.624 4.942 4.320 -0.003 0.000 0.276 346 A C 1.482 179.117 177.584 0.085 0.000 1.153 346 A CA 0.246 52.325 52.037 0.070 0.000 0.813 346 A CB 0.336 19.409 19.000 0.121 0.000 1.081 346 A HN 0.499 nan 8.150 nan 0.000 0.507 347 N N 1.617 120.361 118.700 0.074 0.000 2.037 347 N HA -0.159 4.579 4.740 -0.003 0.000 0.196 347 N C 0.979 176.504 175.510 0.025 0.000 1.034 347 N CA 1.330 54.406 53.050 0.043 0.000 0.861 347 N CB -0.278 38.231 38.487 0.036 0.000 1.039 347 N HN 0.718 nan 8.380 nan 0.000 0.427 348 R N 0.944 121.448 120.500 0.006 0.000 2.747 348 R HA 0.071 4.410 4.340 -0.003 0.000 0.278 348 R C 0.108 176.349 176.300 -0.098 0.000 1.153 348 R CA -0.159 55.865 56.100 -0.126 0.000 1.206 348 R CB 0.323 30.363 30.300 -0.432 0.000 1.161 348 R HN 0.182 nan 8.270 nan 0.000 0.589 349 D N 0.274 120.577 120.400 -0.161 0.000 2.217 349 D HA 0.117 4.755 4.640 -0.003 0.000 0.243 349 D C -0.753 175.449 176.300 -0.164 0.000 1.054 349 D CA -0.242 53.728 54.000 -0.051 0.000 0.838 349 D CB 0.786 41.601 40.800 0.025 0.000 1.162 349 D HN 0.329 nan 8.370 nan 0.000 0.472 350 F N 1.654 121.505 119.950 -0.165 0.000 2.775 350 F HA 0.122 4.647 4.527 -0.004 0.000 0.313 350 F C 2.092 177.481 175.800 -0.685 0.000 1.121 350 F CA -0.353 57.302 58.000 -0.575 0.000 1.206 350 F CB 0.677 39.354 39.000 -0.538 0.000 1.052 350 F HN 0.275 nan 8.300 nan 0.000 0.524 351 S N 0.453 116.076 115.700 -0.130 0.000 2.440 351 S HA -0.207 4.261 4.470 -0.003 0.000 0.238 351 S C 1.940 176.539 174.600 -0.002 0.000 1.010 351 S CA 1.468 59.640 58.200 -0.046 0.000 0.972 351 S CB -0.556 62.677 63.200 0.054 0.000 0.774 351 S HN 0.592 nan 8.310 nan 0.000 0.501 352 F N 0.786 120.760 119.950 0.040 0.000 2.293 352 F HA 0.103 4.629 4.527 -0.003 0.000 0.300 352 F C 1.700 177.567 175.800 0.111 0.000 1.086 352 F CA 0.195 58.234 58.000 0.065 0.000 1.375 352 F CB -1.017 37.986 39.000 0.005 0.000 1.045 352 F HN 0.046 nan 8.300 nan 0.000 0.516 353 I N 1.025 121.393 120.570 -0.337 0.000 2.399 353 I HA -0.308 3.860 4.170 -0.003 0.000 0.254 353 I C 2.306 178.466 176.117 0.073 0.000 1.146 353 I CA 1.482 62.737 61.300 -0.075 0.000 1.412 353 I CB -0.473 37.441 38.000 -0.143 0.000 1.076 353 I HN 0.200 nan 8.210 nan 0.000 0.432 354 I N -0.104 120.495 120.570 0.049 0.000 2.546 354 I HA -0.248 3.920 4.170 -0.003 0.000 0.255 354 I C 2.429 178.613 176.117 0.111 0.000 1.163 354 I CA 1.007 62.352 61.300 0.075 0.000 1.457 354 I CB -0.287 37.743 38.000 0.051 0.000 1.092 354 I HN 0.136 nan 8.210 nan 0.000 0.434 355 K N 0.836 121.327 120.400 0.152 0.000 2.148 355 K HA -0.089 4.229 4.320 -0.003 0.000 0.204 355 K C 0.753 177.465 176.600 0.188 0.000 1.050 355 K CA 0.732 57.123 56.287 0.174 0.000 0.942 355 K CB 0.183 32.815 32.500 0.220 0.000 0.724 355 K HN 0.345 nan 8.250 nan 0.000 0.446 356 Q N 0.673 120.602 119.800 0.215 0.000 2.382 356 Q HA 0.109 4.448 4.340 -0.003 0.000 0.229 356 Q C -0.709 175.386 176.000 0.159 0.000 1.006 356 Q CA -0.437 55.495 55.803 0.214 0.000 0.916 356 Q CB 0.974 29.866 28.738 0.257 0.000 1.235 356 Q HN 0.292 nan 8.270 nan 0.000 0.512 357 N N -1.407 117.380 118.700 0.145 0.000 2.455 357 N HA 0.758 5.496 4.740 -0.003 0.000 0.278 357 N C -0.447 175.087 175.510 0.039 0.000 1.291 357 N CA -0.177 52.936 53.050 0.105 0.000 0.780 357 N CB 1.703 40.264 38.487 0.123 0.000 1.520 357 N HN 0.767 nan 8.380 nan 0.000 0.486 358 G N -0.561 108.238 108.800 -0.001 0.000 2.627 358 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.214 358 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.214 358 G C 0.345 175.074 174.900 -0.285 0.000 1.331 358 G CA -0.058 44.935 45.100 -0.178 0.000 0.891 358 G HN 0.607 nan 8.290 nan 0.000 0.539 359 M N -0.388 118.821 119.600 -0.651 0.000 2.229 359 M HA 0.169 4.648 4.480 -0.003 0.000 0.264 359 M C 0.817 176.748 176.300 -0.615 0.000 1.063 359 M CA 1.489 56.363 55.300 -0.711 0.000 1.114 359 M CB -0.273 31.692 32.600 -1.059 0.000 1.387 359 M HN 0.303 nan 8.290 nan 0.000 0.420 360 F N -0.030 119.849 119.950 -0.119 0.000 2.497 360 F HA 0.493 5.019 4.527 -0.002 0.000 0.331 360 F C 0.506 176.322 175.800 0.027 0.000 1.060 360 F CA -1.346 56.629 58.000 -0.041 0.000 0.989 360 F CB 0.905 39.887 39.000 -0.030 0.000 1.245 360 F HN -0.144 nan 8.300 nan 0.000 0.486 361 S N 0.392 116.294 115.700 0.337 0.000 2.538 361 S HA 0.623 5.092 4.470 -0.003 0.000 0.288 361 S C -1.448 173.398 174.600 0.411 0.000 1.108 361 S CA -0.607 57.784 58.200 0.317 0.000 0.971 361 S CB 1.438 64.786 63.200 0.247 0.000 1.041 361 S HN 0.443 nan 8.310 nan 0.000 0.483 362 F N 3.879 123.962 119.950 0.221 0.000 2.335 362 F HA 0.375 4.900 4.527 -0.004 0.000 0.365 362 F C 1.724 177.743 175.800 0.366 0.000 1.122 362 F CA -1.417 56.690 58.000 0.178 0.000 1.151 362 F CB 0.807 39.806 39.000 -0.003 0.000 1.282 362 F HN 0.887 nan 8.300 nan 0.000 0.513 363 S N 2.858 118.730 115.700 0.286 0.000 2.383 363 S HA -0.026 4.442 4.470 -0.003 0.000 0.229 363 S C 1.846 176.675 174.600 0.382 0.000 1.030 363 S CA 1.056 59.476 58.200 0.366 0.000 1.002 363 S CB -0.736 62.625 63.200 0.268 0.000 0.829 363 S HN 1.475 nan 8.310 nan 0.000 0.467 364 G N 0.553 109.413 108.800 0.101 0.000 2.175 364 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.244 364 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.244 364 G C -0.036 174.904 174.900 0.067 0.000 0.982 364 G CA 0.164 45.322 45.100 0.095 0.000 0.641 364 G HN 0.549 nan 8.290 nan 0.000 0.527 365 L N 2.050 123.315 121.223 0.069 0.000 2.426 365 L HA 0.414 4.752 4.340 -0.003 0.000 0.271 365 L C 1.661 178.533 176.870 0.004 0.000 1.169 365 L CA 0.332 55.214 54.840 0.069 0.000 0.836 365 L CB 0.779 42.892 42.059 0.090 0.000 1.112 365 L HN 0.447 nan 8.230 nan 0.000 0.465 366 T N -0.678 113.888 114.554 0.019 0.000 2.868 366 T HA 0.084 4.432 4.350 -0.003 0.000 0.292 366 T C 1.013 175.715 174.700 0.004 0.000 1.028 366 T CA -0.626 61.477 62.100 0.005 0.000 1.059 366 T CB 1.235 70.112 68.868 0.015 0.000 0.991 366 T HN 0.574 nan 8.240 nan 0.000 0.531 367 K N 0.619 121.018 120.400 -0.001 0.000 2.173 367 K HA -0.168 4.150 4.320 -0.003 0.000 0.207 367 K C 2.301 178.903 176.600 0.004 0.000 1.046 367 K CA 1.999 58.286 56.287 -0.001 0.000 0.929 367 K CB -0.024 32.477 32.500 0.000 0.000 0.720 367 K HN 0.798 nan 8.250 nan 0.000 0.453 368 E N -0.067 120.139 120.200 0.010 0.000 2.230 368 E HA -0.163 4.186 4.350 -0.003 0.000 0.192 368 E C 1.723 178.340 176.600 0.029 0.000 0.987 368 E CA 0.853 57.262 56.400 0.015 0.000 0.841 368 E CB -0.197 29.512 29.700 0.015 0.000 0.783 368 E HN 0.475 nan 8.360 nan 0.000 0.481 369 Q N 1.060 120.882 119.800 0.037 0.000 2.079 369 Q HA -0.072 4.267 4.340 -0.003 0.000 0.200 369 Q C 2.506 178.538 176.000 0.054 0.000 0.974 369 Q CA 1.836 57.673 55.803 0.057 0.000 0.840 369 Q CB -0.230 28.547 28.738 0.064 0.000 0.898 369 Q HN 0.324 nan 8.270 nan 0.000 0.430 370 V N -1.186 118.747 119.914 0.032 0.000 2.970 370 V HA -0.102 4.016 4.120 -0.003 0.000 0.260 370 V C 1.646 177.734 176.094 -0.011 0.000 1.100 370 V CA 1.220 63.530 62.300 0.016 0.000 1.122 370 V CB -0.271 31.556 31.823 0.005 0.000 0.721 370 V HN 0.303 nan 8.190 nan 0.000 0.483 371 L N -0.509 120.710 121.223 -0.006 0.000 2.298 371 L HA 0.195 4.533 4.340 -0.003 0.000 0.209 371 L C 2.730 179.594 176.870 -0.011 0.000 1.084 371 L CA 1.221 56.044 54.840 -0.029 0.000 0.816 371 L CB -0.127 41.920 42.059 -0.021 0.000 0.967 371 L HN 0.348 nan 8.230 nan 0.000 0.460 372 R N -0.019 120.499 120.500 0.031 0.000 2.075 372 R HA -0.212 4.126 4.340 -0.003 0.000 0.230 372 R C 2.143 178.520 176.300 0.128 0.000 1.140 372 R CA 1.694 57.833 56.100 0.064 0.000 0.928 372 R CB -0.686 29.673 30.300 0.099 0.000 0.834 372 R HN 0.126 nan 8.270 nan 0.000 0.429 373 L N 1.504 122.840 121.223 0.188 0.000 2.198 373 L HA -0.287 4.051 4.340 -0.003 0.000 0.218 373 L C 2.462 179.454 176.870 0.203 0.000 1.084 373 L CA 2.173 57.168 54.840 0.257 0.000 0.779 373 L CB -0.661 41.465 42.059 0.112 0.000 0.890 373 L HN 0.386 nan 8.230 nan 0.000 0.439 374 R N -1.483 119.033 120.500 0.026 0.000 2.123 374 R HA -0.041 4.297 4.340 -0.003 0.000 0.209 374 R C 2.102 178.372 176.300 -0.050 0.000 1.078 374 R CA 0.545 56.579 56.100 -0.110 0.000 1.028 374 R CB -0.167 29.846 30.300 -0.478 0.000 0.939 374 R HN 0.315 nan 8.270 nan 0.000 0.463 375 E N 1.213 121.380 120.200 -0.054 0.000 2.047 375 E HA -0.223 4.125 4.350 -0.003 0.000 0.191 375 E C 1.477 178.041 176.600 -0.059 0.000 0.987 375 E CA 1.483 57.856 56.400 -0.044 0.000 0.799 375 E CB 0.139 29.809 29.700 -0.049 0.000 0.752 375 E HN 0.419 nan 8.360 nan 0.000 0.449 376 E N -1.568 118.568 120.200 -0.106 0.000 2.170 376 E HA -0.063 4.285 4.350 -0.003 0.000 0.191 376 E C 0.789 177.103 176.600 -0.478 0.000 0.981 376 E CA 0.653 56.848 56.400 -0.341 0.000 0.830 376 E CB 0.116 29.514 29.700 -0.504 0.000 0.775 376 E HN 0.152 nan 8.360 nan 0.000 0.470 377 F N -1.461 118.510 119.950 0.036 0.000 2.772 377 F HA 0.377 4.902 4.527 -0.002 0.000 0.316 377 F C 1.191 177.048 175.800 0.095 0.000 1.114 377 F CA 0.087 58.120 58.000 0.054 0.000 1.191 377 F CB 1.386 40.416 39.000 0.049 0.000 1.065 377 F HN 0.084 nan 8.300 nan 0.000 0.534 378 G N 1.145 110.108 108.800 0.272 0.000 2.212 378 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.267 378 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.267 378 G C 0.046 175.239 174.900 0.488 0.000 1.002 378 G CA 0.440 45.754 45.100 0.357 0.000 0.729 378 G HN 0.199 nan 8.290 nan 0.000 0.517 379 V N 1.182 121.323 119.914 0.378 0.000 2.353 379 V HA 0.384 4.502 4.120 -0.003 0.000 0.264 379 V C -0.024 176.256 176.094 0.309 0.000 1.049 379 V CA -0.866 61.633 62.300 0.331 0.000 0.896 379 V CB 0.426 32.353 31.823 0.173 0.000 1.025 379 V HN 0.222 nan 8.190 nan 0.000 0.475 380 Y N 3.798 124.193 120.300 0.158 0.000 2.425 380 Y HA 0.642 5.190 4.550 -0.003 0.000 0.347 380 Y C 0.557 176.484 175.900 0.044 0.000 0.976 380 Y CA -0.450 57.724 58.100 0.124 0.000 1.190 380 Y CB 1.112 39.685 38.460 0.189 0.000 1.136 380 Y HN 0.697 nan 8.280 nan 0.000 0.517 381 A N 2.655 125.524 122.820 0.080 0.000 2.469 381 A HA 0.757 5.075 4.320 -0.003 0.000 0.299 381 A C -1.063 176.542 177.584 0.036 0.000 1.098 381 A CA -0.837 51.235 52.037 0.057 0.000 0.737 381 A CB 0.936 19.962 19.000 0.042 0.000 1.312 381 A HN 0.413 nan 8.150 nan 0.000 0.414 382 V N 1.772 121.711 119.914 0.041 0.000 2.740 382 V HA 0.251 4.369 4.120 -0.003 0.000 0.303 382 V C 1.860 177.965 176.094 0.019 0.000 1.054 382 V CA 0.858 63.175 62.300 0.028 0.000 1.106 382 V CB 1.058 32.893 31.823 0.021 0.000 0.957 382 V HN 1.304 nan 8.190 nan 0.000 0.486 383 A N 3.798 126.623 122.820 0.008 0.000 2.042 383 A HA -0.171 4.148 4.320 -0.003 0.000 0.222 383 A C 2.197 179.785 177.584 0.007 0.000 1.167 383 A CA 2.164 54.202 52.037 0.002 0.000 0.649 383 A CB -0.593 18.406 19.000 -0.002 0.000 0.809 383 A HN 1.135 nan 8.150 nan 0.000 0.457 384 S N -1.996 113.724 115.700 0.034 0.000 2.607 384 S HA 0.348 4.817 4.470 -0.003 0.000 0.224 384 S C 1.395 175.932 174.600 -0.105 0.000 0.969 384 S CA 1.023 59.251 58.200 0.046 0.000 0.927 384 S CB -0.457 62.876 63.200 0.222 0.000 0.772 384 S HN 1.978 nan 8.310 nan 0.000 0.533 385 G N 1.187 109.952 108.800 -0.058 0.000 2.141 385 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.242 385 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.242 385 G C 0.031 174.928 174.900 -0.005 0.000 0.982 385 G CA -0.050 44.998 45.100 -0.087 0.000 0.662 385 G HN 0.644 nan 8.290 nan 0.000 0.527 386 R N 0.331 120.892 120.500 0.102 0.000 2.267 386 R HA 0.496 4.834 4.340 -0.003 0.000 0.319 386 R C -0.487 175.885 176.300 0.120 0.000 1.067 386 R CA -0.184 56.027 56.100 0.185 0.000 0.936 386 R CB 0.733 31.098 30.300 0.107 0.000 1.006 386 R HN 0.065 nan 8.270 nan 0.000 0.452 387 V N 4.940 124.948 119.914 0.156 0.000 2.448 387 V HA 0.113 4.232 4.120 -0.003 0.000 0.295 387 V C -0.142 176.046 176.094 0.156 0.000 1.025 387 V CA -0.952 61.405 62.300 0.095 0.000 0.859 387 V CB 1.694 33.514 31.823 -0.005 0.000 0.988 387 V HN 0.690 nan 8.190 nan 0.000 0.431 388 N N 4.234 123.007 118.700 0.122 0.000 2.448 388 N HA 0.108 4.847 4.740 -0.003 0.000 0.250 388 N C 0.785 176.239 175.510 -0.094 0.000 1.136 388 N CA 0.043 53.139 53.050 0.077 0.000 0.953 388 N CB 1.444 39.964 38.487 0.054 0.000 1.251 388 N HN 0.403 nan 8.380 nan 0.000 0.502 389 V N 2.735 122.577 119.914 -0.120 0.000 2.867 389 V HA -0.170 3.948 4.120 -0.003 0.000 0.260 389 V C 1.869 177.881 176.094 -0.137 0.000 1.099 389 V CA 1.926 64.121 62.300 -0.174 0.000 1.122 389 V CB -0.861 30.897 31.823 -0.108 0.000 0.708 389 V HN 0.743 nan 8.190 nan 0.000 0.490 390 A N -0.083 122.664 122.820 -0.121 0.000 2.307 390 A HA 0.383 4.702 4.320 -0.003 0.000 0.218 390 A C 1.950 179.434 177.584 -0.167 0.000 1.228 390 A CA 0.780 52.764 52.037 -0.088 0.000 0.857 390 A CB -0.227 18.784 19.000 0.018 0.000 0.897 390 A HN 0.508 nan 8.150 nan 0.000 0.495 391 G N -0.940 107.763 108.800 -0.161 0.000 3.159 391 G HA2 0.384 4.342 3.960 -0.003 0.000 0.232 391 G HA3 0.384 4.342 3.960 -0.003 0.000 0.232 391 G C 0.398 175.205 174.900 -0.154 0.000 1.116 391 G CA -0.301 44.699 45.100 -0.168 0.000 0.767 391 G HN 0.392 nan 8.290 nan 0.000 0.547 392 M N 0.945 120.450 119.600 -0.160 0.000 2.277 392 M HA 0.474 4.952 4.480 -0.003 0.000 0.350 392 M C -0.496 175.739 176.300 -0.108 0.000 1.180 392 M CA 0.114 55.327 55.300 -0.146 0.000 1.103 392 M CB 1.982 34.462 32.600 -0.200 0.000 1.577 392 M HN -0.156 nan 8.290 nan 0.000 0.459 393 T N 1.953 116.460 114.554 -0.078 0.000 2.903 393 T HA 0.394 4.742 4.350 -0.003 0.000 0.299 393 T C -1.977 172.703 174.700 -0.032 0.000 1.093 393 T CA -1.141 60.924 62.100 -0.057 0.000 1.002 393 T CB 2.093 70.926 68.868 -0.058 0.000 1.127 393 T HN 0.412 nan 8.240 nan 0.000 0.488 394 P HA -0.040 nan 4.420 nan 0.000 0.222 394 P C 0.535 177.831 177.300 -0.006 0.000 1.147 394 P CA 0.956 64.051 63.100 -0.008 0.000 0.790 394 P CB 0.428 32.125 31.700 -0.005 0.000 0.780 395 D N 0.672 121.066 120.400 -0.010 0.000 2.106 395 D HA -0.106 4.532 4.640 -0.003 0.000 0.203 395 D C 1.586 177.884 176.300 -0.003 0.000 0.977 395 D CA 1.275 55.272 54.000 -0.006 0.000 0.844 395 D CB -0.748 40.047 40.800 -0.007 0.000 1.002 395 D HN 0.266 nan 8.370 nan 0.000 0.461 396 N N 0.337 119.032 118.700 -0.008 0.000 2.521 396 N HA -0.093 4.645 4.740 -0.003 0.000 0.188 396 N C 1.520 177.028 175.510 -0.004 0.000 1.146 396 N CA 0.321 53.369 53.050 -0.004 0.000 0.893 396 N CB -0.383 38.101 38.487 -0.005 0.000 0.975 396 N HN 0.053 nan 8.380 nan 0.000 0.451 397 M N 0.389 119.987 119.600 -0.002 0.000 2.159 397 M HA 0.079 4.557 4.480 -0.003 0.000 0.263 397 M C 1.900 178.215 176.300 0.025 0.000 1.063 397 M CA 1.340 56.650 55.300 0.017 0.000 1.110 397 M CB -0.373 32.244 32.600 0.028 0.000 1.374 397 M HN 0.318 nan 8.290 nan 0.000 0.411 398 A N 0.623 123.449 122.820 0.011 0.000 1.854 398 A HA -0.013 4.305 4.320 -0.003 0.000 0.214 398 A C -0.300 177.282 177.584 -0.003 0.000 1.192 398 A CA 1.346 53.385 52.037 0.003 0.000 0.611 398 A CB -2.239 16.762 19.000 0.002 0.000 0.832 398 A HN 0.454 nan 8.150 nan 0.000 0.442 399 P HA -0.160 nan 4.420 nan 0.000 0.218 399 P C 1.787 179.073 177.300 -0.024 0.000 1.148 399 P CA 1.108 64.209 63.100 0.001 0.000 0.822 399 P CB -0.212 31.503 31.700 0.024 0.000 0.784 400 L N -0.803 120.412 121.223 -0.012 0.000 2.072 400 L HA -0.065 4.273 4.340 -0.003 0.000 0.205 400 L C 2.041 178.897 176.870 -0.024 0.000 1.079 400 L CA 1.684 56.513 54.840 -0.018 0.000 0.752 400 L CB -0.903 41.153 42.059 -0.004 0.000 0.906 400 L HN -0.079 nan 8.230 nan 0.000 0.436 401 C N 0.571 119.875 119.300 0.007 0.000 2.432 401 C HA -0.060 4.398 4.460 -0.003 0.000 0.282 401 C C 2.446 177.378 174.990 -0.097 0.000 1.388 401 C CA 0.661 59.665 59.018 -0.023 0.000 1.777 401 C CB -0.957 26.762 27.740 -0.034 0.000 1.882 401 C HN 0.585 nan 8.230 nan 0.000 0.520 402 E N 0.591 120.725 120.200 -0.109 0.000 2.250 402 E HA 0.007 4.355 4.350 -0.003 0.000 0.192 402 E C 2.292 178.707 176.600 -0.308 0.000 0.986 402 E CA 0.814 57.128 56.400 -0.143 0.000 0.849 402 E CB -0.054 29.593 29.700 -0.087 0.000 0.797 402 E HN 0.655 nan 8.360 nan 0.000 0.482 403 A N 1.175 123.747 122.820 -0.414 0.000 1.872 403 A HA -0.112 4.207 4.320 -0.003 0.000 0.214 403 A C 2.112 179.381 177.584 -0.526 0.000 1.187 403 A CA 0.793 52.310 52.037 -0.868 0.000 0.614 403 A CB -0.456 18.183 19.000 -0.601 0.000 0.826 403 A HN 0.087 nan 8.150 nan 0.000 0.442 404 I N -0.111 120.316 120.570 -0.239 0.000 2.099 404 I HA -0.178 3.990 4.170 -0.003 0.000 0.239 404 I C 1.310 177.376 176.117 -0.085 0.000 1.066 404 I CA 0.561 61.795 61.300 -0.109 0.000 1.324 404 I CB -0.541 37.427 38.000 -0.053 0.000 1.037 404 I HN 0.085 nan 8.210 nan 0.000 0.401 408 V N -0.758 119.186 119.914 0.050 0.000 3.578 408 V HA 0.542 4.661 4.120 -0.003 0.000 0.290 408 V C 0.541 176.684 176.094 0.081 0.000 1.376 408 V CA 0.545 62.907 62.300 0.103 0.000 1.083 408 V CB -0.909 30.987 31.823 0.122 0.000 0.911 408 V HN 0.581 nan 8.190 nan 0.000 0.433 409 L N 0.000 121.267 121.223 0.073 0.000 2.949 409 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 409 L CA 0.000 54.886 54.840 0.077 0.000 0.813 409 L CB 0.000 42.126 42.059 0.111 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502