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 1ix7_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGFYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.231 176.300 -0.115 0.000 1.140 5 M CA 0.000 55.105 55.300 -0.326 0.000 0.988 5 M CB 0.000 32.214 32.600 -0.643 0.000 1.302 6 F N 1.976 121.926 119.950 -0.001 0.000 2.797 6 F HA 0.237 4.775 4.527 0.017 0.000 0.302 6 F C 1.746 177.545 175.800 -0.001 0.000 1.130 6 F CA 0.440 58.440 58.000 -0.001 0.000 1.387 6 F CB -0.976 38.024 39.000 -0.001 0.000 1.107 6 F HN 0.227 nan 8.300 nan 0.000 0.577 7 E N 0.418 120.684 120.200 0.110 0.000 2.153 7 E HA -0.182 4.178 4.350 0.017 0.000 0.194 7 E C 1.429 178.066 176.600 0.061 0.000 0.988 7 E CA 1.218 57.659 56.400 0.069 0.000 0.811 7 E CB -0.529 29.186 29.700 0.024 0.000 0.746 7 E HN 0.479 nan 8.360 nan 0.000 0.466 8 N N 0.048 118.786 118.700 0.062 0.000 2.412 8 N HA 0.085 4.835 4.740 0.017 0.000 0.184 8 N C -0.275 175.266 175.510 0.052 0.000 1.101 8 N CA -0.242 52.837 53.050 0.047 0.000 0.881 8 N CB 0.254 38.763 38.487 0.038 0.000 0.969 8 N HN 0.098 nan 8.380 nan 0.000 0.459 9 I N 1.432 122.047 120.570 0.075 0.000 2.662 9 I HA -0.085 4.095 4.170 0.017 0.000 0.285 9 I C 0.878 177.012 176.117 0.028 0.000 1.161 9 I CA 0.427 61.759 61.300 0.054 0.000 1.415 9 I CB 0.574 38.610 38.000 0.061 0.000 1.385 9 I HN -0.045 nan 8.210 nan 0.000 0.552 10 T N 6.033 120.596 114.554 0.016 0.000 2.869 10 T HA 0.463 4.823 4.350 0.017 0.000 0.295 10 T C 0.286 174.984 174.700 -0.002 0.000 0.987 10 T CA -0.729 61.375 62.100 0.007 0.000 1.109 10 T CB 0.601 69.472 68.868 0.004 0.000 0.932 10 T HN 0.684 nan 8.240 nan 0.000 0.518 11 A N 3.789 126.607 122.820 -0.003 0.000 2.511 11 A HA 0.571 4.901 4.320 0.017 0.000 0.242 11 A C 0.854 178.430 177.584 -0.013 0.000 1.069 11 A CA -0.082 51.949 52.037 -0.010 0.000 0.763 11 A CB -0.411 18.586 19.000 -0.006 0.000 1.001 11 A HN 1.239 nan 8.150 nan 0.000 0.498 12 A N 4.306 127.114 122.820 -0.020 0.000 2.407 12 A HA 0.582 4.913 4.320 0.017 0.000 0.248 12 A C -1.206 176.365 177.584 -0.021 0.000 1.082 12 A CA -1.012 51.011 52.037 -0.023 0.000 0.785 12 A CB -0.529 18.453 19.000 -0.031 0.000 1.020 12 A HN 0.837 nan 8.150 nan 0.000 0.489 13 P HA 0.363 nan 4.420 nan 0.000 0.272 13 P C -0.174 177.113 177.300 -0.021 0.000 1.240 13 P CA -0.108 62.980 63.100 -0.020 0.000 0.791 13 P CB 0.543 32.229 31.700 -0.023 0.000 0.978 14 A N 1.255 124.066 122.820 -0.015 0.000 2.477 14 A HA 0.048 4.378 4.320 0.017 0.000 0.246 14 A C 0.576 178.147 177.584 -0.023 0.000 1.078 14 A CA -0.222 51.809 52.037 -0.011 0.000 0.770 14 A CB -0.387 18.614 19.000 0.002 0.000 1.011 14 A HN 0.650 nan 8.150 nan 0.000 0.494 15 D N 3.874 124.259 120.400 -0.026 0.000 2.417 15 D HA 0.067 4.717 4.640 0.017 0.000 0.250 15 D C -1.114 175.166 176.300 -0.033 0.000 1.166 15 D CA -1.161 52.812 54.000 -0.046 0.000 0.881 15 D CB 1.058 41.832 40.800 -0.043 0.000 1.164 15 D HN 0.320 nan 8.370 nan 0.000 0.467 16 P HA -0.137 nan 4.420 nan 0.000 0.219 16 P C 1.561 178.854 177.300 -0.012 0.000 1.146 16 P CA 0.993 64.075 63.100 -0.031 0.000 0.808 16 P CB 0.525 32.196 31.700 -0.050 0.000 0.779 17 I N -1.123 119.436 120.570 -0.019 0.000 2.726 17 I HA -0.063 4.117 4.170 0.017 0.000 0.243 17 I C 2.627 178.767 176.117 0.037 0.000 1.082 17 I CA 0.459 61.767 61.300 0.014 0.000 1.447 17 I CB -0.558 37.459 38.000 0.029 0.000 1.250 17 I HN -0.234 nan 8.210 nan 0.000 0.453 18 L N 0.833 122.075 121.223 0.032 0.000 2.131 18 L HA -0.088 4.262 4.340 0.017 0.000 0.210 18 L C 2.563 179.460 176.870 0.045 0.000 1.092 18 L CA 1.413 56.280 54.840 0.045 0.000 0.759 18 L CB -1.134 40.946 42.059 0.034 0.000 0.903 18 L HN 0.354 nan 8.230 nan 0.000 0.435 19 G N 0.152 108.973 108.800 0.035 0.000 2.471 19 G HA2 -0.231 3.739 3.960 0.017 0.000 0.219 19 G HA3 -0.231 3.739 3.960 0.017 0.000 0.219 19 G C 1.584 176.530 174.900 0.078 0.000 1.125 19 G CA 0.272 45.399 45.100 0.045 0.000 0.775 19 G HN 0.194 nan 8.290 nan 0.000 0.548 20 L N 1.198 122.475 121.223 0.090 0.000 2.093 20 L HA 0.190 4.540 4.340 0.017 0.000 0.208 20 L C 3.084 180.055 176.870 0.168 0.000 1.085 20 L CA 1.845 56.776 54.840 0.151 0.000 0.755 20 L CB -0.587 41.557 42.059 0.141 0.000 0.904 20 L HN 0.219 nan 8.230 nan 0.000 0.435 21 A N -0.696 122.186 122.820 0.104 0.000 1.917 21 A HA -0.274 4.056 4.320 0.017 0.000 0.219 21 A C 1.991 179.659 177.584 0.140 0.000 1.182 21 A CA 2.116 54.213 52.037 0.100 0.000 0.633 21 A CB -0.883 18.164 19.000 0.078 0.000 0.819 21 A HN 0.510 nan 8.150 nan 0.000 0.448 22 D N -0.435 120.030 120.400 0.108 0.000 2.144 22 D HA -0.105 4.545 4.640 0.017 0.000 0.199 22 D C 1.725 178.084 176.300 0.099 0.000 0.984 22 D CA 0.931 54.983 54.000 0.087 0.000 0.834 22 D CB -0.277 40.561 40.800 0.063 0.000 0.955 22 D HN 0.288 nan 8.370 nan 0.000 0.465 23 L N -0.246 121.067 121.223 0.150 0.000 2.093 23 L HA -0.056 4.294 4.340 0.017 0.000 0.208 23 L C 2.083 179.057 176.870 0.174 0.000 1.085 23 L CA 0.993 55.951 54.840 0.196 0.000 0.755 23 L CB -0.976 41.266 42.059 0.306 0.000 0.904 23 L HN 0.017 nan 8.230 nan 0.000 0.435 24 F N 1.462 121.351 119.950 -0.101 0.000 2.075 24 F HA -0.271 4.266 4.527 0.016 0.000 0.297 24 F C 2.626 178.284 175.800 -0.237 0.000 1.113 24 F CA 1.729 59.439 58.000 -0.484 0.000 1.218 24 F CB -0.259 38.388 39.000 -0.588 0.000 0.984 24 F HN 0.152 nan 8.300 nan 0.000 0.472 25 R N 1.192 121.653 120.500 -0.064 0.000 2.159 25 R HA -0.029 4.321 4.340 0.017 0.000 0.237 25 R C 1.707 177.920 176.300 -0.146 0.000 1.131 25 R CA 1.537 57.566 56.100 -0.118 0.000 0.982 25 R CB -1.746 28.567 30.300 0.020 0.000 0.868 25 R HN 0.250 nan 8.270 nan 0.000 0.453 26 A N 0.320 123.084 122.820 -0.095 0.000 2.178 26 A HA 0.053 4.383 4.320 0.017 0.000 0.211 26 A C 0.390 177.928 177.584 -0.078 0.000 1.157 26 A CA 0.345 52.345 52.037 -0.061 0.000 0.780 26 A CB -0.155 18.840 19.000 -0.008 0.000 0.828 26 A HN 0.282 nan 8.150 nan 0.000 0.476 27 D N 0.783 121.102 120.400 -0.134 0.000 2.470 27 D HA 0.093 4.743 4.640 0.017 0.000 0.226 27 D C 0.738 176.942 176.300 -0.161 0.000 1.196 27 D CA -0.049 53.895 54.000 -0.094 0.000 0.979 27 D CB 0.079 40.874 40.800 -0.008 0.000 1.059 27 D HN 0.461 nan 8.370 nan 0.000 0.515 28 E N 2.134 122.272 120.200 -0.103 0.000 2.533 28 E HA -0.160 4.200 4.350 0.017 0.000 0.203 28 E C 0.453 177.005 176.600 -0.080 0.000 1.101 28 E CA 0.002 56.344 56.400 -0.096 0.000 0.894 28 E CB 0.206 29.869 29.700 -0.061 0.000 0.843 28 E HN 0.195 nan 8.360 nan 0.000 0.552 29 R N 0.109 120.566 120.500 -0.070 0.000 2.643 29 R HA 0.023 4.373 4.340 0.017 0.000 0.270 29 R C -1.873 174.396 176.300 -0.052 0.000 1.061 29 R CA -0.856 55.222 56.100 -0.037 0.000 1.107 29 R CB 0.449 30.749 30.300 -0.000 0.000 0.999 29 R HN -0.100 nan 8.270 nan 0.000 0.460 30 P HA 0.090 nan 4.420 nan 0.000 0.216 30 P C 0.492 177.795 177.300 0.006 0.000 1.156 30 P CA 1.099 64.188 63.100 -0.017 0.000 0.855 30 P CB 0.104 31.802 31.700 -0.004 0.000 0.786 31 G N 0.240 109.060 108.800 0.034 0.000 2.740 31 G HA2 -0.140 3.830 3.960 0.017 0.000 0.208 31 G HA3 -0.140 3.830 3.960 0.017 0.000 0.208 31 G C 0.339 175.300 174.900 0.101 0.000 1.148 31 G CA -0.061 45.078 45.100 0.065 0.000 0.795 31 G HN 0.264 nan 8.290 nan 0.000 0.526 32 K N -0.133 120.321 120.400 0.091 0.000 2.600 32 K HA 0.066 4.396 4.320 0.017 0.000 0.280 32 K C -0.350 176.414 176.600 0.274 0.000 0.971 32 K CA 0.801 57.196 56.287 0.181 0.000 1.053 32 K CB 0.539 33.016 32.500 -0.038 0.000 0.856 32 K HN 0.126 nan 8.250 nan 0.000 0.495 33 I N 2.354 123.144 120.570 0.366 0.000 2.529 33 I HA 0.065 4.245 4.170 0.017 0.000 0.284 33 I C -0.644 175.559 176.117 0.143 0.000 1.088 33 I CA -0.344 61.081 61.300 0.208 0.000 1.062 33 I CB 1.716 39.795 38.000 0.130 0.000 1.218 33 I HN 0.604 nan 8.210 nan 0.000 0.442 34 N N 5.984 124.587 118.700 -0.161 0.000 2.500 34 N HA 0.279 5.029 4.740 0.017 0.000 0.236 34 N C 0.153 175.500 175.510 -0.272 0.000 1.022 34 N CA -0.468 52.312 53.050 -0.449 0.000 0.935 34 N CB 0.895 38.639 38.487 -1.238 0.000 1.147 34 N HN 0.483 nan 8.380 nan 0.000 0.512 35 L N 2.960 124.106 121.223 -0.129 0.000 2.640 35 L HA 0.297 4.647 4.340 0.017 0.000 0.230 35 L C 1.923 178.748 176.870 -0.075 0.000 1.123 35 L CA 0.382 55.151 54.840 -0.120 0.000 0.900 35 L CB 0.197 42.206 42.059 -0.083 0.000 1.146 35 L HN 0.618 nan 8.230 nan 0.000 0.484 36 G N -0.836 107.925 108.800 -0.065 0.000 3.383 36 G HA2 0.093 4.063 3.960 0.017 0.000 0.251 36 G HA3 0.093 4.063 3.960 0.017 0.000 0.251 36 G C 0.487 175.356 174.900 -0.052 0.000 1.203 36 G CA -0.168 44.922 45.100 -0.016 0.000 0.852 36 G HN 0.074 nan 8.290 nan 0.000 0.531 37 I N 1.041 121.514 120.570 -0.162 0.000 2.634 37 I HA 0.371 4.551 4.170 0.017 0.000 0.284 37 I C 1.518 177.559 176.117 -0.127 0.000 1.124 37 I CA -0.204 60.902 61.300 -0.323 0.000 1.417 37 I CB 1.829 39.402 38.000 -0.711 0.000 1.396 37 I HN -0.012 nan 8.210 nan 0.000 0.571 38 G N 6.130 114.913 108.800 -0.029 0.000 3.088 38 G HA2 0.123 4.094 3.960 0.017 0.000 0.217 38 G HA3 0.123 4.094 3.960 0.017 0.000 0.217 38 G C 0.099 175.167 174.900 0.280 0.000 1.159 38 G CA 0.003 45.274 45.100 0.286 0.000 0.760 38 G HN 0.507 nan 8.290 nan 0.000 0.550 39 F N -1.919 118.063 119.950 0.054 0.000 2.631 39 F HA 0.764 5.303 4.527 0.020 0.000 0.350 39 F C -0.378 175.455 175.800 0.055 0.000 1.080 39 F CA -3.062 54.937 58.000 -0.002 0.000 1.026 39 F CB 0.836 39.563 39.000 -0.455 0.000 1.347 39 F HN -0.059 nan 8.300 nan 0.000 0.501 40 Y N 1.516 122.006 120.300 0.316 0.000 2.299 40 Y HA 0.513 5.072 4.550 0.015 0.000 0.326 40 Y C -0.648 175.406 175.900 0.256 0.000 1.164 40 Y CA -0.381 57.840 58.100 0.201 0.000 1.234 40 Y CB 0.827 39.476 38.460 0.315 0.000 1.219 40 Y HN 0.600 nan 8.280 nan 0.000 0.497 41 K N 4.472 124.440 120.400 -0.720 0.000 2.375 41 K HA 0.240 4.570 4.320 0.017 0.000 0.249 41 K C -1.250 174.834 176.600 -0.860 0.000 0.942 41 K CA -1.058 54.944 56.287 -0.475 0.000 0.806 41 K CB 1.530 33.869 32.500 -0.268 0.000 1.227 41 K HN 0.779 nan 8.250 nan 0.000 0.430 42 D N 0.354 120.537 120.400 -0.362 0.000 2.564 42 D HA 0.068 4.718 4.640 0.017 0.000 0.273 42 D C 0.749 176.990 176.300 -0.099 0.000 1.192 42 D CA -0.322 53.569 54.000 -0.182 0.000 1.080 42 D CB 0.458 41.317 40.800 0.098 0.000 1.160 42 D HN 0.313 nan 8.370 nan 0.000 0.607 43 E N -0.918 119.271 120.200 -0.019 0.000 2.208 43 E HA -0.191 4.169 4.350 0.017 0.000 0.202 43 E C 1.484 178.076 176.600 -0.014 0.000 1.014 43 E CA 2.170 58.563 56.400 -0.012 0.000 0.819 43 E CB -0.486 29.224 29.700 0.016 0.000 0.735 43 E HN 0.735 nan 8.360 nan 0.000 0.469 44 T N -3.789 110.761 114.554 -0.005 0.000 3.145 44 T HA 0.381 4.741 4.350 0.017 0.000 0.255 44 T C 1.206 175.905 174.700 -0.003 0.000 1.039 44 T CA 0.602 62.704 62.100 0.002 0.000 0.928 44 T CB 0.479 69.357 68.868 0.017 0.000 1.029 44 T HN 0.199 nan 8.240 nan 0.000 0.554 45 G N 1.320 110.103 108.800 -0.028 0.000 2.153 45 G HA2 -0.246 3.724 3.960 0.017 0.000 0.252 45 G HA3 -0.246 3.724 3.960 0.017 0.000 0.252 45 G C -0.097 174.809 174.900 0.010 0.000 0.994 45 G CA 0.276 45.359 45.100 -0.028 0.000 0.698 45 G HN 0.676 nan 8.290 nan 0.000 0.521 46 K N -0.480 119.931 120.400 0.019 0.000 2.123 46 K HA 0.662 4.992 4.320 0.017 0.000 0.248 46 K C 0.098 176.752 176.600 0.089 0.000 0.969 46 K CA 0.004 56.325 56.287 0.057 0.000 0.882 46 K CB 1.634 34.169 32.500 0.059 0.000 1.080 46 K HN 0.116 nan 8.250 nan 0.000 0.441 47 T N 2.554 117.180 114.554 0.121 0.000 3.401 47 T HA 0.265 4.625 4.350 0.017 0.000 0.341 47 T C -2.146 172.662 174.700 0.180 0.000 1.674 47 T CA -1.643 60.576 62.100 0.198 0.000 1.600 47 T CB 0.047 69.028 68.868 0.188 0.000 0.974 47 T HN 0.368 nan 8.240 nan 0.000 0.672 48 P HA 0.276 nan 4.420 nan 0.000 0.273 48 P C 0.066 177.468 177.300 0.171 0.000 1.250 48 P CA -0.477 62.713 63.100 0.150 0.000 0.793 48 P CB 0.839 32.620 31.700 0.136 0.000 1.011 49 V N 1.761 121.755 119.914 0.132 0.000 2.546 49 V HA 0.216 4.347 4.120 0.017 0.000 0.284 49 V C 0.250 176.416 176.094 0.120 0.000 1.050 49 V CA -0.791 61.588 62.300 0.132 0.000 0.981 49 V CB -0.014 31.874 31.823 0.108 0.000 0.990 49 V HN 0.340 nan 8.190 nan 0.000 0.474 50 L N 5.292 126.591 121.223 0.127 0.000 2.499 50 L HA 0.094 4.444 4.340 0.017 0.000 0.281 50 L C 1.872 178.798 176.870 0.093 0.000 1.234 50 L CA 0.271 55.178 54.840 0.112 0.000 0.839 50 L CB 0.273 42.412 42.059 0.133 0.000 1.104 50 L HN 0.841 nan 8.230 nan 0.000 0.500 51 T N -0.292 114.308 114.554 0.077 0.000 2.821 51 T HA -0.137 4.223 4.350 0.017 0.000 0.267 51 T C 1.931 176.670 174.700 0.065 0.000 1.046 51 T CA 1.605 63.742 62.100 0.063 0.000 1.139 51 T CB -0.049 68.848 68.868 0.048 0.000 0.871 51 T HN 0.865 nan 8.240 nan 0.000 0.454 52 S N 1.418 117.167 115.700 0.081 0.000 2.382 52 S HA -0.095 4.385 4.470 0.017 0.000 0.228 52 S C 2.167 176.809 174.600 0.070 0.000 1.027 52 S CA 0.923 59.173 58.200 0.085 0.000 0.991 52 S CB -0.971 62.315 63.200 0.143 0.000 0.823 52 S HN 0.298 nan 8.310 nan 0.000 0.469 53 V N 2.315 122.281 119.914 0.086 0.000 2.307 53 V HA -0.122 4.008 4.120 0.017 0.000 0.245 53 V C 2.820 178.944 176.094 0.051 0.000 1.045 53 V CA 1.725 64.063 62.300 0.063 0.000 1.024 53 V CB -0.586 31.290 31.823 0.088 0.000 0.651 53 V HN 0.395 nan 8.190 nan 0.000 0.449 54 K N 0.255 120.693 120.400 0.064 0.000 2.097 54 K HA -0.163 4.168 4.320 0.017 0.000 0.206 54 K C 2.150 178.786 176.600 0.060 0.000 1.049 54 K CA 1.360 57.685 56.287 0.063 0.000 0.933 54 K CB -0.309 32.227 32.500 0.060 0.000 0.717 54 K HN 0.452 nan 8.250 nan 0.000 0.442 55 K N 0.183 120.615 120.400 0.053 0.000 2.057 55 K HA -0.049 4.281 4.320 0.017 0.000 0.206 55 K C 2.150 178.788 176.600 0.064 0.000 1.050 55 K CA 1.107 57.426 56.287 0.052 0.000 0.935 55 K CB -0.076 32.445 32.500 0.035 0.000 0.715 55 K HN 0.078 nan 8.250 nan 0.000 0.439 56 A N 1.599 124.442 122.820 0.038 0.000 1.930 56 A HA -0.168 4.162 4.320 0.017 0.000 0.217 56 A C 1.793 179.425 177.584 0.080 0.000 1.175 56 A CA 1.301 53.357 52.037 0.032 0.000 0.627 56 A CB -0.269 18.706 19.000 -0.041 0.000 0.815 56 A HN 0.280 nan 8.150 nan 0.000 0.443 57 E N -0.876 119.361 120.200 0.061 0.000 2.204 57 E HA -0.219 4.142 4.350 0.017 0.000 0.194 57 E C 2.143 178.807 176.600 0.108 0.000 0.989 57 E CA 1.212 57.671 56.400 0.098 0.000 0.824 57 E CB -0.069 29.711 29.700 0.133 0.000 0.756 57 E HN 0.802 nan 8.360 nan 0.000 0.477 58 Q N 0.228 120.088 119.800 0.100 0.000 2.049 58 Q HA -0.209 4.141 4.340 0.017 0.000 0.198 58 Q C 1.952 178.004 176.000 0.088 0.000 0.971 58 Q CA 1.274 57.126 55.803 0.082 0.000 0.833 58 Q CB -0.342 28.444 28.738 0.079 0.000 0.896 58 Q HN 0.346 nan 8.270 nan 0.000 0.434 59 Y N 0.494 120.794 120.300 0.001 0.000 2.165 59 Y HA -0.224 4.333 4.550 0.012 0.000 0.286 59 Y C 1.599 177.494 175.900 -0.007 0.000 1.155 59 Y CA 1.856 59.953 58.100 -0.006 0.000 1.164 59 Y CB -0.120 38.331 38.460 -0.014 0.000 0.978 59 Y HN 0.159 nan 8.280 nan 0.000 0.513 60 L N -0.551 120.696 121.223 0.040 0.000 2.093 60 L HA -0.234 4.116 4.340 0.017 0.000 0.208 60 L C 2.579 179.411 176.870 -0.064 0.000 1.085 60 L CA 1.074 55.893 54.840 -0.034 0.000 0.755 60 L CB -0.674 41.418 42.059 0.054 0.000 0.904 60 L HN 0.335 nan 8.230 nan 0.000 0.435 61 L N 0.463 121.674 121.223 -0.019 0.000 2.042 61 L HA -0.209 4.141 4.340 0.017 0.000 0.210 61 L C 2.280 179.109 176.870 -0.069 0.000 1.076 61 L CA 1.666 56.490 54.840 -0.026 0.000 0.749 61 L CB -0.204 41.853 42.059 -0.003 0.000 0.893 61 L HN 0.488 nan 8.230 nan 0.000 0.432 62 E N -2.280 117.856 120.200 -0.107 0.000 2.444 62 E HA -0.029 4.331 4.350 0.017 0.000 0.191 62 E C 0.474 176.960 176.600 -0.190 0.000 1.041 62 E CA 0.120 56.446 56.400 -0.124 0.000 0.883 62 E CB 0.130 29.774 29.700 -0.095 0.000 1.024 62 E HN 0.483 nan 8.360 nan 0.000 0.470 63 N N 0.214 118.766 118.700 -0.246 0.000 2.166 63 N HA 0.053 4.803 4.740 0.017 0.000 0.222 63 N C -0.120 175.289 175.510 -0.168 0.000 1.282 63 N CA -0.193 52.692 53.050 -0.275 0.000 0.890 63 N CB 0.957 39.114 38.487 -0.550 0.000 1.114 63 N HN 0.060 nan 8.380 nan 0.000 0.494 67 T N 0.420 114.951 114.554 -0.039 0.000 2.830 67 T HA 0.530 4.890 4.350 0.017 0.000 0.322 67 T C -1.496 173.175 174.700 -0.048 0.000 1.501 67 T CA -0.607 61.468 62.100 -0.042 0.000 1.036 67 T CB 1.713 70.561 68.868 -0.033 0.000 1.379 67 T HN -0.064 nan 8.240 nan 0.000 0.493 68 K N 2.330 122.690 120.400 -0.066 0.000 2.618 68 K HA 0.232 4.562 4.320 0.017 0.000 0.207 68 K C 0.524 177.052 176.600 -0.120 0.000 1.058 68 K CA -0.325 55.912 56.287 -0.082 0.000 1.086 68 K CB -0.058 32.385 32.500 -0.095 0.000 0.827 68 K HN 0.576 nan 8.250 nan 0.000 0.481 69 N N 0.772 119.418 118.700 -0.091 0.000 2.441 69 N HA -0.042 4.708 4.740 0.017 0.000 0.251 69 N C -0.480 175.002 175.510 -0.045 0.000 1.242 69 N CA -0.071 52.921 53.050 -0.097 0.000 0.898 69 N CB 0.405 38.879 38.487 -0.022 0.000 1.100 69 N HN -0.081 nan 8.380 nan 0.000 0.443 70 Y N 1.799 122.097 120.300 -0.003 0.000 2.993 70 Y HA -0.173 4.389 4.550 0.020 0.000 0.340 70 Y C 1.207 177.107 175.900 -0.001 0.000 1.273 70 Y CA 0.226 58.326 58.100 -0.000 0.000 1.545 70 Y CB 0.303 38.764 38.460 0.001 0.000 1.275 70 Y HN 0.532 nan 8.280 nan 0.000 0.617 71 L N 2.095 123.433 121.223 0.191 0.000 2.341 71 L HA 0.233 4.583 4.340 0.017 0.000 0.214 71 L C 0.955 177.873 176.870 0.080 0.000 1.115 71 L CA 1.478 56.377 54.840 0.099 0.000 0.820 71 L CB -0.872 41.226 42.059 0.064 0.000 0.944 71 L HN 0.913 nan 8.230 nan 0.000 0.452 72 G N -1.065 107.781 108.800 0.076 0.000 3.209 72 G HA2 -0.158 3.812 3.960 0.017 0.000 0.686 72 G HA3 -0.158 3.812 3.960 0.017 0.000 0.686 72 G C 0.680 175.600 174.900 0.033 0.000 1.065 72 G CA -0.357 44.766 45.100 0.039 0.000 0.812 72 G HN -0.069 nan 8.290 nan 0.000 0.573 73 I N 1.553 122.118 120.570 -0.008 0.000 2.161 73 I HA -0.267 3.913 4.170 0.017 0.000 0.246 73 I C 2.351 178.480 176.117 0.021 0.000 1.048 73 I CA 2.752 64.033 61.300 -0.031 0.000 1.314 73 I CB -0.916 37.025 38.000 -0.099 0.000 1.014 73 I HN 0.827 nan 8.210 nan 0.000 0.418 74 D N 0.108 120.548 120.400 0.068 0.000 2.339 74 D HA 0.259 4.909 4.640 0.017 0.000 0.217 74 D C 1.198 177.595 176.300 0.161 0.000 1.050 74 D CA 0.770 54.866 54.000 0.159 0.000 0.856 74 D CB -0.061 40.929 40.800 0.316 0.000 0.922 74 D HN 0.481 nan 8.370 nan 0.000 0.518 75 G N 0.837 109.698 108.800 0.102 0.000 2.632 75 G HA2 -0.238 3.732 3.960 0.017 0.000 0.224 75 G HA3 -0.238 3.732 3.960 0.017 0.000 0.224 75 G C -0.353 174.584 174.900 0.062 0.000 1.341 75 G CA -0.357 44.778 45.100 0.057 0.000 0.880 75 G HN 0.316 nan 8.290 nan 0.000 0.566 76 I N 2.600 123.182 120.570 0.020 0.000 2.587 76 I HA 0.111 4.291 4.170 0.017 0.000 0.284 76 I C -0.870 175.319 176.117 0.120 0.000 1.134 76 I CA -1.187 60.140 61.300 0.046 0.000 1.410 76 I CB 1.239 39.236 38.000 -0.005 0.000 1.392 76 I HN 0.308 nan 8.210 nan 0.000 0.545 77 P HA -0.187 nan 4.420 nan 0.000 0.215 77 P C 1.406 178.747 177.300 0.068 0.000 1.157 77 P CA 1.031 64.178 63.100 0.078 0.000 0.868 77 P CB 0.165 31.896 31.700 0.051 0.000 0.788 78 E N -1.247 118.986 120.200 0.055 0.000 2.070 78 E HA -0.227 4.133 4.350 0.017 0.000 0.197 78 E C 1.883 178.498 176.600 0.025 0.000 1.004 78 E CA 1.245 57.661 56.400 0.027 0.000 0.805 78 E CB -0.752 28.958 29.700 0.017 0.000 0.744 78 E HN 0.231 nan 8.360 nan 0.000 0.451 79 F N 0.783 120.675 119.950 -0.097 0.000 2.126 79 F HA -0.161 4.376 4.527 0.017 0.000 0.299 79 F C 2.170 177.918 175.800 -0.087 0.000 1.096 79 F CA 2.013 59.929 58.000 -0.140 0.000 1.255 79 F CB -0.541 38.366 39.000 -0.154 0.000 0.997 79 F HN 0.009 nan 8.300 nan 0.000 0.479 80 G N 0.717 109.546 108.800 0.048 0.000 2.440 80 G HA2 -0.302 3.668 3.960 0.017 0.000 0.218 80 G HA3 -0.302 3.668 3.960 0.017 0.000 0.218 80 G C 1.621 176.452 174.900 -0.115 0.000 1.154 80 G CA 0.964 46.043 45.100 -0.035 0.000 0.767 80 G HN 0.524 nan 8.290 nan 0.000 0.552 81 R N -0.595 119.859 120.500 -0.078 0.000 2.115 81 R HA 0.090 4.440 4.340 0.017 0.000 0.226 81 R C 2.392 178.626 176.300 -0.110 0.000 1.100 81 R CA 1.204 57.261 56.100 -0.071 0.000 0.980 81 R CB -1.084 29.194 30.300 -0.037 0.000 0.875 81 R HN 0.287 nan 8.270 nan 0.000 0.445 82 C N 1.480 120.681 119.300 -0.165 0.000 2.440 82 C HA -0.062 4.408 4.460 0.017 0.000 0.278 82 C C 3.098 177.958 174.990 -0.216 0.000 1.295 82 C CA 1.427 60.336 59.018 -0.182 0.000 1.738 82 C CB -0.764 26.842 27.740 -0.224 0.000 1.987 82 C HN 0.742 nan 8.230 nan 0.000 0.492 83 T N -1.030 113.331 114.554 -0.323 0.000 2.821 83 T HA -0.208 4.152 4.350 0.017 0.000 0.267 83 T C 1.649 176.189 174.700 -0.267 0.000 1.046 83 T CA 1.480 63.409 62.100 -0.286 0.000 1.139 83 T CB -0.433 68.210 68.868 -0.374 0.000 0.871 83 T HN 0.641 nan 8.240 nan 0.000 0.454 84 Q N 0.658 120.338 119.800 -0.201 0.000 2.119 84 Q HA -0.077 4.273 4.340 0.017 0.000 0.201 84 Q C 2.481 178.410 176.000 -0.118 0.000 0.972 84 Q CA 1.685 57.402 55.803 -0.143 0.000 0.847 84 Q CB -0.096 28.661 28.738 0.032 0.000 0.903 84 Q HN 0.724 nan 8.270 nan 0.000 0.433 85 E N 0.367 120.518 120.200 -0.083 0.000 2.107 85 E HA -0.125 4.235 4.350 0.017 0.000 0.191 85 E C 2.001 178.551 176.600 -0.084 0.000 0.982 85 E CA 0.516 56.890 56.400 -0.043 0.000 0.809 85 E CB 0.029 29.710 29.700 -0.032 0.000 0.756 85 E HN 0.302 nan 8.360 nan 0.000 0.459 86 L N 0.672 121.816 121.223 -0.132 0.000 2.083 86 L HA -0.179 4.171 4.340 0.017 0.000 0.209 86 L C 2.248 178.977 176.870 -0.235 0.000 1.083 86 L CA 1.023 55.782 54.840 -0.136 0.000 0.752 86 L CB -0.095 41.895 42.059 -0.115 0.000 0.899 86 L HN 0.216 nan 8.230 nan 0.000 0.433 87 L N -1.960 119.024 121.223 -0.397 0.000 2.095 87 L HA -0.133 4.217 4.340 0.017 0.000 0.204 87 L C 1.889 178.444 176.870 -0.525 0.000 1.080 87 L CA 1.003 55.483 54.840 -0.599 0.000 0.759 87 L CB -0.254 41.187 42.059 -1.029 0.000 0.914 87 L HN 0.145 nan 8.230 nan 0.000 0.439 88 F N -0.491 119.429 119.950 -0.049 0.000 2.720 88 F HA 0.452 4.990 4.527 0.018 0.000 0.301 88 F C 1.290 177.071 175.800 -0.032 0.000 1.103 88 F CA -0.079 57.896 58.000 -0.041 0.000 1.291 88 F CB -0.428 38.549 39.000 -0.038 0.000 1.086 88 F HN 0.050 nan 8.300 nan 0.000 0.592 89 G N 0.933 109.786 108.800 0.088 0.000 2.712 89 G HA2 -0.210 3.760 3.960 0.017 0.000 0.686 89 G HA3 -0.210 3.760 3.960 0.017 0.000 0.686 89 G C 0.587 175.524 174.900 0.062 0.000 1.321 89 G CA -0.329 44.804 45.100 0.055 0.000 0.813 89 G HN 0.020 nan 8.290 nan 0.000 0.599 90 K N 0.538 120.958 120.400 0.033 0.000 2.103 90 K HA 0.008 4.339 4.320 0.017 0.000 0.204 90 K C 2.225 178.840 176.600 0.026 0.000 1.052 90 K CA 1.605 57.908 56.287 0.027 0.000 0.945 90 K CB -0.606 31.902 32.500 0.013 0.000 0.722 90 K HN 1.051 nan 8.250 nan 0.000 0.443 91 G N 1.447 110.261 108.800 0.024 0.000 3.455 91 G HA2 0.015 3.985 3.960 0.017 0.000 0.250 91 G HA3 0.015 3.985 3.960 0.017 0.000 0.250 91 G C -0.421 174.492 174.900 0.021 0.000 1.071 91 G CA -0.125 44.985 45.100 0.017 0.000 1.812 91 G HN 0.114 nan 8.290 nan 0.000 0.643 92 S N -0.040 115.676 115.700 0.027 0.000 2.433 92 S HA 0.559 5.039 4.470 0.017 0.000 0.310 92 S C 1.425 176.016 174.600 -0.016 0.000 1.097 92 S CA 0.028 58.240 58.200 0.021 0.000 1.103 92 S CB 1.303 64.549 63.200 0.077 0.000 0.992 92 S HN 0.483 nan 8.310 nan 0.000 0.469 93 A N 5.180 127.977 122.820 -0.037 0.000 1.933 93 A HA 0.003 4.333 4.320 0.017 0.000 0.218 93 A C 1.841 179.378 177.584 -0.078 0.000 1.175 93 A CA 1.231 53.239 52.037 -0.048 0.000 0.628 93 A CB -0.671 18.301 19.000 -0.046 0.000 0.814 93 A HN 0.759 nan 8.150 nan 0.000 0.444 94 L N -0.288 120.850 121.223 -0.141 0.000 2.042 94 L HA -0.178 4.172 4.340 0.017 0.000 0.210 94 L C 2.355 179.145 176.870 -0.134 0.000 1.076 94 L CA 1.673 56.383 54.840 -0.216 0.000 0.749 94 L CB -0.477 41.276 42.059 -0.511 0.000 0.893 94 L HN 0.422 nan 8.230 nan 0.000 0.432 95 I N -1.147 119.382 120.570 -0.070 0.000 2.406 95 I HA -0.237 3.943 4.170 0.017 0.000 0.249 95 I C 1.813 177.919 176.117 -0.019 0.000 1.122 95 I CA 1.159 62.452 61.300 -0.011 0.000 1.431 95 I CB -0.310 37.715 38.000 0.041 0.000 1.087 95 I HN 0.335 nan 8.210 nan 0.000 0.424 96 N N 0.541 119.227 118.700 -0.022 0.000 2.331 96 N HA -0.140 4.610 4.740 0.017 0.000 0.180 96 N C 0.822 176.318 175.510 -0.023 0.000 1.019 96 N CA 0.789 53.828 53.050 -0.018 0.000 0.881 96 N CB 0.070 38.548 38.487 -0.015 0.000 0.972 96 N HN 0.209 nan 8.380 nan 0.000 0.435 97 D N 0.381 120.760 120.400 -0.035 0.000 2.340 97 D HA 0.065 4.715 4.640 0.017 0.000 0.220 97 D C -0.265 176.015 176.300 -0.033 0.000 1.039 97 D CA 0.291 54.271 54.000 -0.033 0.000 0.866 97 D CB 0.171 40.946 40.800 -0.040 0.000 0.913 97 D HN 0.022 nan 8.370 nan 0.000 0.523 98 K N -0.626 119.751 120.400 -0.037 0.000 3.096 98 K HA -0.248 4.082 4.320 0.017 0.000 0.266 98 K C 0.598 177.169 176.600 -0.048 0.000 1.043 98 K CA 0.257 56.521 56.287 -0.039 0.000 0.758 98 K CB -1.128 31.356 32.500 -0.027 0.000 1.260 98 K HN 0.215 nan 8.250 nan 0.000 0.481 99 R N -0.308 120.154 120.500 -0.063 0.000 2.280 99 R HA 0.231 4.581 4.340 0.017 0.000 0.195 99 R C 0.584 176.838 176.300 -0.076 0.000 0.935 99 R CA 0.649 56.711 56.100 -0.064 0.000 1.033 99 R CB 0.650 30.904 30.300 -0.077 0.000 0.964 99 R HN 0.305 nan 8.270 nan 0.000 0.489 100 A N 1.215 123.983 122.820 -0.085 0.000 2.340 100 A HA 0.680 5.010 4.320 0.017 0.000 0.331 100 A C -0.657 176.842 177.584 -0.142 0.000 1.140 100 A CA -0.736 51.260 52.037 -0.069 0.000 0.801 100 A CB 1.090 20.103 19.000 0.022 0.000 1.234 100 A HN -0.028 nan 8.150 nan 0.000 0.469 101 R N 0.852 121.202 120.500 -0.249 0.000 2.575 101 R HA 0.632 4.982 4.340 0.017 0.000 0.293 101 R C -1.313 174.709 176.300 -0.464 0.000 0.983 101 R CA -0.393 55.353 56.100 -0.591 0.000 0.887 101 R CB 1.668 31.205 30.300 -1.273 0.000 1.184 101 R HN 0.718 nan 8.270 nan 0.000 0.445 102 T N 1.135 115.504 114.554 -0.309 0.000 2.807 102 T HA 0.693 5.054 4.350 0.017 0.000 0.279 102 T C -0.654 174.176 174.700 0.218 0.000 0.993 102 T CA -0.593 61.503 62.100 -0.007 0.000 0.970 102 T CB 1.850 70.726 68.868 0.013 0.000 0.950 102 T HN 0.583 nan 8.240 nan 0.000 0.441 103 A N 3.039 126.072 122.820 0.355 0.000 2.318 103 A HA 0.585 4.915 4.320 0.017 0.000 0.317 103 A C -0.047 177.721 177.584 0.307 0.000 1.159 103 A CA -0.734 51.534 52.037 0.385 0.000 0.799 103 A CB 0.904 20.111 19.000 0.344 0.000 1.194 103 A HN 0.781 nan 8.150 nan 0.000 0.479 104 Q N 1.705 121.678 119.800 0.288 0.000 2.313 104 Q HA 0.412 4.762 4.340 0.017 0.000 0.266 104 Q C 0.023 176.116 176.000 0.155 0.000 0.989 104 Q CA 0.508 56.446 55.803 0.225 0.000 0.890 104 Q CB 0.510 29.228 28.738 -0.034 0.000 1.200 104 Q HN 0.844 nan 8.270 nan 0.000 0.396 105 T N 0.666 115.287 114.554 0.112 0.000 2.887 105 T HA 0.538 4.898 4.350 0.017 0.000 0.292 105 T C -2.715 171.915 174.700 -0.117 0.000 1.087 105 T CA -2.226 59.903 62.100 0.047 0.000 1.009 105 T CB 1.665 70.607 68.868 0.123 0.000 1.203 105 T HN 0.392 nan 8.240 nan 0.000 0.518 106 P HA 0.409 nan 4.420 nan 0.000 0.249 106 P C 0.690 177.917 177.300 -0.123 0.000 1.737 106 P CA 1.060 63.992 63.100 -0.280 0.000 1.128 106 P CB -0.398 31.022 31.700 -0.466 0.000 1.942 107 G N 1.775 110.542 108.800 -0.054 0.000 2.760 107 G HA2 -0.113 3.858 3.960 0.017 0.000 0.246 107 G HA3 -0.113 3.858 3.960 0.017 0.000 0.246 107 G C 1.022 175.929 174.900 0.011 0.000 1.359 107 G CA -0.495 44.601 45.100 -0.006 0.000 0.861 107 G HN 0.394 nan 8.290 nan 0.000 0.541 108 G N -1.592 107.204 108.800 -0.007 0.000 2.421 108 G HA2 0.148 4.118 3.960 0.017 0.000 0.217 108 G HA3 0.148 4.118 3.960 0.017 0.000 0.217 108 G C 1.809 176.726 174.900 0.028 0.000 1.143 108 G CA 2.305 47.395 45.100 -0.017 0.000 0.784 108 G HN 1.222 nan 8.290 nan 0.000 0.541 109 T N 1.012 115.599 114.554 0.055 0.000 2.777 109 T HA -0.025 4.335 4.350 0.017 0.000 0.266 109 T C 2.506 177.251 174.700 0.075 0.000 1.040 109 T CA 1.291 63.468 62.100 0.128 0.000 1.141 109 T CB -0.446 68.531 68.868 0.182 0.000 0.868 109 T HN 0.322 nan 8.240 nan 0.000 0.444 110 G N 1.043 109.868 108.800 0.042 0.000 2.432 110 G HA2 -0.020 3.950 3.960 0.017 0.000 0.219 110 G HA3 -0.020 3.950 3.960 0.017 0.000 0.219 110 G C 1.783 176.742 174.900 0.098 0.000 1.135 110 G CA 0.840 45.962 45.100 0.037 0.000 0.767 110 G HN 0.579 nan 8.290 nan 0.000 0.550 111 A N 0.516 123.393 122.820 0.095 0.000 1.898 111 A HA 0.164 4.494 4.320 0.017 0.000 0.216 111 A C 2.404 180.071 177.584 0.138 0.000 1.181 111 A CA 1.051 53.165 52.037 0.129 0.000 0.620 111 A CB -0.343 18.728 19.000 0.119 0.000 0.819 111 A HN 0.344 nan 8.150 nan 0.000 0.442 112 L N -1.071 120.221 121.223 0.115 0.000 2.046 112 L HA -0.168 4.182 4.340 0.017 0.000 0.208 112 L C 2.751 179.649 176.870 0.046 0.000 1.077 112 L CA 1.648 56.548 54.840 0.099 0.000 0.747 112 L CB -0.373 41.716 42.059 0.049 0.000 0.896 112 L HN 0.376 nan 8.230 nan 0.000 0.432 113 R N 0.606 121.127 120.500 0.036 0.000 2.075 113 R HA -0.126 4.224 4.340 0.017 0.000 0.232 113 R C 2.140 178.510 176.300 0.117 0.000 1.126 113 R CA 1.990 58.115 56.100 0.041 0.000 0.963 113 R CB -0.867 29.460 30.300 0.045 0.000 0.858 113 R HN 0.347 nan 8.270 nan 0.000 0.435 114 V N -1.328 118.677 119.914 0.152 0.000 2.515 114 V HA 0.034 4.164 4.120 0.017 0.000 0.250 114 V C 2.118 178.338 176.094 0.211 0.000 1.058 114 V CA 1.614 64.013 62.300 0.165 0.000 1.064 114 V CB -1.114 30.806 31.823 0.160 0.000 0.675 114 V HN 0.310 nan 8.190 nan 0.000 0.461 115 A N 0.902 123.857 122.820 0.226 0.000 1.873 115 A HA 0.097 4.427 4.320 0.017 0.000 0.215 115 A C 2.551 180.355 177.584 0.368 0.000 1.186 115 A CA 2.387 54.610 52.037 0.309 0.000 0.616 115 A CB -1.204 17.972 19.000 0.294 0.000 0.823 115 A HN 0.985 nan 8.150 nan 0.000 0.442 116 A N 0.063 123.069 122.820 0.310 0.000 1.883 116 A HA -0.223 4.107 4.320 0.017 0.000 0.217 116 A C 1.796 179.509 177.584 0.215 0.000 1.186 116 A CA 2.014 54.237 52.037 0.309 0.000 0.624 116 A CB -0.627 18.522 19.000 0.248 0.000 0.822 116 A HN 0.473 nan 8.150 nan 0.000 0.444 117 D N -1.313 119.196 120.400 0.182 0.000 2.144 117 D HA -0.094 4.556 4.640 0.017 0.000 0.200 117 D C 1.651 178.039 176.300 0.146 0.000 0.978 117 D CA 1.195 55.275 54.000 0.133 0.000 0.833 117 D CB -0.432 40.432 40.800 0.107 0.000 0.961 117 D HN 0.540 nan 8.370 nan 0.000 0.470 118 F N 1.484 121.476 119.950 0.071 0.000 2.069 118 F HA -0.177 4.360 4.527 0.018 0.000 0.298 118 F C 2.113 177.958 175.800 0.075 0.000 1.113 118 F CA 1.301 59.340 58.000 0.065 0.000 1.214 118 F CB -0.280 38.768 39.000 0.080 0.000 0.978 118 F HN -0.141 nan 8.300 nan 0.000 0.474 119 L N 0.330 121.487 121.223 -0.110 0.000 2.046 119 L HA -0.192 4.158 4.340 0.017 0.000 0.208 119 L C 2.881 179.665 176.870 -0.144 0.000 1.077 119 L CA 1.194 55.910 54.840 -0.208 0.000 0.747 119 L CB -1.214 40.885 42.059 0.067 0.000 0.896 119 L HN 0.320 nan 8.230 nan 0.000 0.432 120 A N -0.575 122.224 122.820 -0.035 0.000 1.972 120 A HA -0.199 4.131 4.320 0.017 0.000 0.219 120 A C 2.420 179.975 177.584 -0.049 0.000 1.169 120 A CA 1.585 53.611 52.037 -0.018 0.000 0.635 120 A CB -0.277 18.741 19.000 0.030 0.000 0.810 120 A HN 0.206 nan 8.150 nan 0.000 0.446 121 K N -0.594 119.759 120.400 -0.077 0.000 2.242 121 K HA 0.064 4.394 4.320 0.017 0.000 0.200 121 K C 0.452 176.986 176.600 -0.111 0.000 1.050 121 K CA 0.736 56.980 56.287 -0.071 0.000 0.981 121 K CB -0.043 32.437 32.500 -0.033 0.000 0.795 121 K HN 0.477 nan 8.250 nan 0.000 0.477 122 N N 0.304 118.870 118.700 -0.224 0.000 2.187 122 N HA 0.056 4.806 4.740 0.017 0.000 0.212 122 N C -0.493 174.886 175.510 -0.218 0.000 1.152 122 N CA 0.105 53.022 53.050 -0.222 0.000 0.872 122 N CB 1.574 39.874 38.487 -0.311 0.000 1.025 122 N HN -0.019 nan 8.380 nan 0.000 0.514 123 T N -0.663 113.771 114.554 -0.201 0.000 2.883 123 T HA 0.175 4.535 4.350 0.017 0.000 0.296 123 T C 0.709 175.372 174.700 -0.063 0.000 1.117 123 T CA -0.481 61.541 62.100 -0.130 0.000 1.006 123 T CB 1.788 70.549 68.868 -0.179 0.000 1.191 123 T HN 0.004 nan 8.240 nan 0.000 0.508 124 S N 0.063 115.749 115.700 -0.023 0.000 2.634 124 S HA 0.204 4.684 4.470 0.017 0.000 0.221 124 S C 0.651 175.258 174.600 0.011 0.000 0.952 124 S CA -0.417 57.782 58.200 -0.002 0.000 0.930 124 S CB -0.340 62.869 63.200 0.014 0.000 0.780 124 S HN 0.438 nan 8.310 nan 0.000 0.498 125 V N 3.509 123.427 119.914 0.007 0.000 2.673 125 V HA 0.184 4.314 4.120 0.017 0.000 0.303 125 V C 0.478 176.578 176.094 0.009 0.000 1.046 125 V CA 0.232 62.545 62.300 0.021 0.000 1.126 125 V CB 0.177 32.012 31.823 0.020 0.000 0.934 125 V HN 0.679 nan 8.190 nan 0.000 0.487 134 W N 3.818 124.940 121.300 -0.297 0.000 2.316 134 W HA 0.743 5.413 4.660 0.017 0.000 0.308 134 W C -0.139 176.280 176.519 -0.167 0.000 1.106 134 W CA -0.444 56.791 57.345 -0.185 0.000 1.262 134 W CB 1.604 30.955 29.460 -0.180 0.000 1.233 134 W HN 0.382 nan 8.180 nan 0.000 0.447 135 V N 3.474 123.335 119.914 -0.089 0.000 2.769 135 V HA 0.438 4.568 4.120 0.017 0.000 0.312 135 V C 0.328 176.071 176.094 -0.585 0.000 1.058 135 V CA -1.007 61.149 62.300 -0.240 0.000 0.952 135 V CB 1.963 33.690 31.823 -0.160 0.000 1.019 135 V HN 0.554 nan 8.190 nan 0.000 0.445 136 S N 2.641 117.876 115.700 -0.776 0.000 2.593 136 S HA 0.276 4.756 4.470 0.017 0.000 0.269 136 S C -0.256 174.097 174.600 -0.412 0.000 1.334 136 S CA -0.406 57.176 58.200 -1.030 0.000 1.015 136 S CB 0.542 63.212 63.200 -0.883 0.000 0.912 136 S HN 0.786 nan 8.310 nan 0.000 0.541 137 N N 2.414 120.958 118.700 -0.259 0.000 2.511 137 N HA 0.520 5.270 4.740 0.017 0.000 0.249 137 N C -2.524 173.027 175.510 0.068 0.000 0.971 137 N CA -1.853 51.169 53.050 -0.047 0.000 0.938 137 N CB 1.491 39.985 38.487 0.011 0.000 1.131 137 N HN 0.472 nan 8.380 nan 0.000 0.505 138 P HA 0.386 nan 4.420 nan 0.000 0.287 138 P C -0.834 176.449 177.300 -0.028 0.000 1.296 138 P CA -0.480 62.623 63.100 0.004 0.000 0.811 138 P CB 1.787 33.500 31.700 0.021 0.000 1.211 139 S N -1.898 113.803 115.700 0.001 0.000 2.776 139 S HA 0.437 4.917 4.470 0.017 0.000 0.292 139 S C -1.852 172.828 174.600 0.134 0.000 1.187 139 S CA -0.655 57.595 58.200 0.082 0.000 0.834 139 S CB 0.109 63.464 63.200 0.258 0.000 1.199 139 S HN 0.447 nan 8.310 nan 0.000 0.514 140 W N 3.395 124.694 121.300 -0.003 0.000 2.381 140 W HA 0.360 5.030 4.660 0.017 0.000 0.321 140 W C -2.298 174.134 176.519 -0.144 0.000 1.407 140 W CA -1.524 55.716 57.345 -0.175 0.000 1.274 140 W CB 0.161 29.394 29.460 -0.379 0.000 1.310 140 W HN 0.535 nan 8.180 nan 0.000 0.551 141 P HA -0.284 nan 4.420 nan 0.000 0.217 141 P C 1.252 178.195 177.300 -0.595 0.000 1.148 141 P CA 1.956 64.819 63.100 -0.395 0.000 0.834 141 P CB 0.241 31.749 31.700 -0.321 0.000 0.783 142 N N -2.008 115.942 118.700 -1.250 0.000 2.515 142 N HA -0.094 4.656 4.740 0.017 0.000 0.185 142 N C 1.411 176.497 175.510 -0.707 0.000 1.109 142 N CA 0.623 52.978 53.050 -1.158 0.000 0.903 142 N CB -0.526 36.931 38.487 -1.718 0.000 0.969 142 N HN 0.299 nan 8.380 nan 0.000 0.450 143 H N -0.479 118.352 119.070 -0.398 0.000 2.321 143 H HA -0.078 4.488 4.556 0.017 0.000 0.300 143 H C 1.945 177.265 175.328 -0.013 0.000 1.087 143 H CA 1.456 57.472 56.048 -0.053 0.000 1.319 143 H CB 0.233 30.125 29.762 0.217 0.000 1.379 143 H HN 0.128 nan 8.280 nan 0.000 0.501 144 K N 0.392 120.866 120.400 0.123 0.000 2.032 144 K HA -0.141 4.189 4.320 0.017 0.000 0.209 144 K C 2.311 178.914 176.600 0.005 0.000 1.048 144 K CA 1.749 58.087 56.287 0.086 0.000 0.927 144 K CB 0.086 32.587 32.500 0.001 0.000 0.712 144 K HN 0.128 nan 8.250 nan 0.000 0.441 145 S N 0.117 115.757 115.700 -0.101 0.000 2.382 145 S HA -0.106 4.374 4.470 0.017 0.000 0.228 145 S C 1.951 176.474 174.600 -0.128 0.000 1.027 145 S CA 1.202 59.333 58.200 -0.116 0.000 0.991 145 S CB -0.137 62.964 63.200 -0.165 0.000 0.823 145 S HN 0.096 nan 8.310 nan 0.000 0.469 146 V N 1.136 120.918 119.914 -0.220 0.000 2.307 146 V HA -0.129 4.001 4.120 0.017 0.000 0.245 146 V C 1.890 177.815 176.094 -0.282 0.000 1.045 146 V CA 1.691 63.810 62.300 -0.301 0.000 1.024 146 V CB -0.808 30.737 31.823 -0.464 0.000 0.651 146 V HN 0.458 nan 8.190 nan 0.000 0.449 147 F N 0.273 120.234 119.950 0.019 0.000 2.206 147 F HA -0.091 4.447 4.527 0.018 0.000 0.298 147 F C 2.433 178.226 175.800 -0.012 0.000 1.090 147 F CA 1.204 59.208 58.000 0.008 0.000 1.323 147 F CB -0.458 38.536 39.000 -0.011 0.000 1.028 147 F HN 0.162 nan 8.300 nan 0.000 0.492 148 N N -0.052 118.724 118.700 0.127 0.000 2.244 148 N HA -0.126 4.624 4.740 0.017 0.000 0.183 148 N C 1.879 177.406 175.510 0.029 0.000 1.016 148 N CA 1.088 54.172 53.050 0.056 0.000 0.866 148 N CB -0.449 38.048 38.487 0.018 0.000 0.980 148 N HN 0.092 nan 8.380 nan 0.000 0.430 149 S N 0.326 116.031 115.700 0.008 0.000 2.419 149 S HA -0.035 4.445 4.470 0.017 0.000 0.233 149 S C 1.681 176.293 174.600 0.021 0.000 1.016 149 S CA 0.997 59.196 58.200 -0.001 0.000 0.974 149 S CB -0.045 63.141 63.200 -0.023 0.000 0.786 149 S HN 0.490 nan 8.310 nan 0.000 0.492 150 A N 0.004 122.852 122.820 0.047 0.000 2.275 150 A HA 0.529 4.859 4.320 0.017 0.000 0.212 150 A C 1.463 179.079 177.584 0.053 0.000 1.201 150 A CA 0.588 52.661 52.037 0.061 0.000 0.843 150 A CB -0.602 18.459 19.000 0.100 0.000 0.873 150 A HN 0.797 nan 8.150 nan 0.000 0.492 151 G N -1.383 107.443 108.800 0.043 0.000 2.147 151 G HA2 -0.173 3.797 3.960 0.017 0.000 0.244 151 G HA3 -0.173 3.797 3.960 0.017 0.000 0.244 151 G C -0.084 174.832 174.900 0.027 0.000 1.005 151 G CA 0.443 45.559 45.100 0.027 0.000 0.713 151 G HN 0.323 nan 8.290 nan 0.000 0.515 155 V N 3.080 122.888 119.914 -0.177 0.000 2.370 155 V HA 0.590 4.720 4.120 0.017 0.000 0.283 155 V C -0.044 175.839 176.094 -0.350 0.000 1.023 155 V CA -0.749 61.403 62.300 -0.247 0.000 0.857 155 V CB 1.004 32.766 31.823 -0.102 0.000 0.985 155 V HN 0.574 nan 8.190 nan 0.000 0.443 156 R N 3.376 123.515 120.500 -0.601 0.000 2.787 156 R HA 0.652 5.002 4.340 0.017 0.000 0.271 156 R C -0.331 175.668 176.300 -0.502 0.000 0.993 156 R CA -0.688 54.957 56.100 -0.759 0.000 0.993 156 R CB 2.342 31.640 30.300 -1.670 0.000 1.155 156 R HN 0.958 nan 8.270 nan 0.000 0.486 157 E N 0.927 120.981 120.200 -0.243 0.000 2.248 157 E HA 0.363 4.723 4.350 0.017 0.000 0.267 157 E C -1.049 175.678 176.600 0.212 0.000 0.877 157 E CA -0.934 55.441 56.400 -0.042 0.000 0.759 157 E CB 1.448 31.082 29.700 -0.110 0.000 1.182 157 E HN 0.503 nan 8.360 nan 0.000 0.418 158 Y N 0.802 121.229 120.300 0.212 0.000 2.376 158 Y HA 0.736 5.296 4.550 0.017 0.000 0.325 158 Y C 0.188 176.174 175.900 0.143 0.000 1.199 158 Y CA -1.256 56.952 58.100 0.181 0.000 1.206 158 Y CB 0.754 39.264 38.460 0.083 0.000 1.229 158 Y HN 0.666 nan 8.280 nan 0.000 0.480 159 A N 2.157 125.157 122.820 0.300 0.000 2.406 159 A HA 0.317 4.647 4.320 0.017 0.000 0.243 159 A C -0.497 177.301 177.584 0.356 0.000 1.082 159 A CA 0.405 52.578 52.037 0.227 0.000 0.786 159 A CB -0.147 18.946 19.000 0.156 0.000 1.029 159 A HN 1.102 nan 8.150 nan 0.000 0.495 160 Y N -0.615 119.747 120.300 0.104 0.000 3.032 160 Y HA 0.181 4.741 4.550 0.017 0.000 0.232 160 Y C -0.231 175.724 175.900 0.091 0.000 1.107 160 Y CA -0.109 58.051 58.100 0.100 0.000 1.355 160 Y CB 0.109 38.572 38.460 0.005 0.000 1.413 160 Y HN 0.667 nan 8.280 nan 0.000 0.447 161 Y N 3.158 123.504 120.300 0.078 0.000 2.299 161 Y HA 0.372 4.932 4.550 0.017 0.000 0.326 161 Y C -0.574 175.311 175.900 -0.025 0.000 1.164 161 Y CA -0.720 57.374 58.100 -0.010 0.000 1.234 161 Y CB 0.805 39.318 38.460 0.089 0.000 1.219 161 Y HN 0.119 nan 8.280 nan 0.000 0.497 162 D N 4.613 124.573 120.400 -0.734 0.000 2.473 162 D HA 0.286 4.936 4.640 0.017 0.000 0.226 162 D C 0.436 176.141 176.300 -0.991 0.000 1.089 162 D CA 0.025 53.652 54.000 -0.622 0.000 0.883 162 D CB 1.097 41.634 40.800 -0.437 0.000 1.029 162 D HN 0.763 nan 8.370 nan 0.000 0.517 163 A N 3.754 126.203 122.820 -0.620 0.000 2.225 163 A HA -0.125 4.205 4.320 0.017 0.000 0.215 163 A C 1.641 178.913 177.584 -0.521 0.000 1.164 163 A CA 1.170 52.955 52.037 -0.420 0.000 0.710 163 A CB -0.059 18.900 19.000 -0.069 0.000 0.780 163 A HN 0.642 nan 8.150 nan 0.000 0.473 164 E N -0.571 119.321 120.200 -0.514 0.000 2.083 164 E HA -0.022 4.338 4.350 0.017 0.000 0.193 164 E C 1.007 177.263 176.600 -0.574 0.000 0.950 164 E CA 0.443 56.573 56.400 -0.449 0.000 0.849 164 E CB -0.132 29.416 29.700 -0.253 0.000 0.827 164 E HN 0.435 nan 8.360 nan 0.000 0.465 165 N N 0.628 119.069 118.700 -0.432 0.000 2.467 165 N HA -0.031 4.720 4.740 0.017 0.000 0.184 165 N C -0.686 174.658 175.510 -0.277 0.000 1.106 165 N CA 0.506 53.389 53.050 -0.277 0.000 0.892 165 N CB -0.026 38.359 38.487 -0.171 0.000 0.969 165 N HN 0.251 nan 8.380 nan 0.000 0.454 166 H N -1.033 117.780 119.070 -0.429 0.000 2.748 166 H HA -0.156 4.410 4.556 0.017 0.000 0.322 166 H C 0.166 175.338 175.328 -0.261 0.000 1.208 166 H CA 0.970 56.727 56.048 -0.484 0.000 1.151 166 H CB -1.937 27.332 29.762 -0.822 0.000 1.505 166 H HN 0.364 nan 8.280 nan 0.000 0.429 167 T N -3.254 111.144 114.554 -0.260 0.000 2.618 167 T HA 0.511 4.871 4.350 0.017 0.000 0.286 167 T C -0.221 174.358 174.700 -0.201 0.000 1.027 167 T CA -1.259 60.764 62.100 -0.129 0.000 1.063 167 T CB 1.781 70.585 68.868 -0.107 0.000 1.440 167 T HN 0.189 nan 8.240 nan 0.000 0.505 168 L N 1.739 122.840 121.223 -0.204 0.000 2.278 168 L HA 0.368 4.718 4.340 0.017 0.000 0.287 168 L C -0.637 176.117 176.870 -0.193 0.000 1.072 168 L CA -0.317 54.329 54.840 -0.323 0.000 0.819 168 L CB 0.611 42.452 42.059 -0.362 0.000 1.176 168 L HN 0.742 nan 8.230 nan 0.000 0.435 169 D N 4.415 124.709 120.400 -0.176 0.000 2.483 169 D HA -0.022 4.628 4.640 0.017 0.000 0.220 169 D C 0.833 177.147 176.300 0.023 0.000 1.173 169 D CA 0.082 54.038 54.000 -0.073 0.000 0.964 169 D CB 0.196 40.948 40.800 -0.081 0.000 1.046 169 D HN 0.502 nan 8.370 nan 0.000 0.517 170 F N 1.876 121.754 119.950 -0.120 0.000 2.171 170 F HA -0.193 4.344 4.527 0.017 0.000 0.300 170 F C 1.740 177.524 175.800 -0.027 0.000 1.090 170 F CA 0.939 58.894 58.000 -0.076 0.000 1.293 170 F CB 0.550 39.505 39.000 -0.076 0.000 1.013 170 F HN 0.262 nan 8.300 nan 0.000 0.486 171 D N 0.359 120.765 120.400 0.010 0.000 2.097 171 D HA -0.170 4.480 4.640 0.017 0.000 0.197 171 D C 2.323 178.579 176.300 -0.073 0.000 0.984 171 D CA 1.402 55.366 54.000 -0.060 0.000 0.826 171 D CB -0.494 40.300 40.800 -0.011 0.000 0.973 171 D HN 0.378 nan 8.370 nan 0.000 0.460 172 A N 1.333 124.134 122.820 -0.032 0.000 1.930 172 A HA -0.098 4.233 4.320 0.017 0.000 0.217 172 A C 2.280 179.868 177.584 0.007 0.000 1.175 172 A CA 0.649 52.683 52.037 -0.005 0.000 0.627 172 A CB -0.800 18.209 19.000 0.015 0.000 0.815 172 A HN 0.227 nan 8.150 nan 0.000 0.443 173 L N -0.234 120.990 121.223 0.003 0.000 1.956 173 L HA -0.224 4.126 4.340 0.017 0.000 0.216 173 L C 2.442 179.258 176.870 -0.091 0.000 1.073 173 L CA 2.130 56.997 54.840 0.045 0.000 0.762 173 L CB -0.327 41.761 42.059 0.049 0.000 0.889 173 L HN 0.434 nan 8.230 nan 0.000 0.433 174 I N 0.028 120.453 120.570 -0.243 0.000 2.335 174 I HA -0.319 3.861 4.170 0.017 0.000 0.251 174 I C 2.117 178.171 176.117 -0.106 0.000 1.129 174 I CA 1.172 62.341 61.300 -0.217 0.000 1.402 174 I CB -0.498 37.298 38.000 -0.340 0.000 1.069 174 I HN 0.433 nan 8.210 nan 0.000 0.424 175 N N 0.510 119.160 118.700 -0.083 0.000 2.120 175 N HA -0.138 4.612 4.740 0.017 0.000 0.188 175 N C 2.005 177.501 175.510 -0.024 0.000 1.024 175 N CA 1.542 54.568 53.050 -0.040 0.000 0.852 175 N CB -0.105 38.369 38.487 -0.022 0.000 1.003 175 N HN 0.162 nan 8.380 nan 0.000 0.424 176 S N 0.372 116.067 115.700 -0.009 0.000 2.355 176 S HA 0.026 4.507 4.470 0.017 0.000 0.222 176 S C 1.894 176.410 174.600 -0.140 0.000 1.031 176 S CA 0.558 58.767 58.200 0.015 0.000 0.993 176 S CB -0.299 62.981 63.200 0.133 0.000 0.859 176 S HN 0.292 nan 8.310 nan 0.000 0.453 177 L N 2.080 123.164 121.223 -0.231 0.000 2.551 177 L HA -0.096 4.254 4.340 0.017 0.000 0.230 177 L C 1.939 178.690 176.870 -0.198 0.000 1.163 177 L CA 0.651 55.210 54.840 -0.469 0.000 0.826 177 L CB -0.719 41.044 42.059 -0.493 0.000 0.943 177 L HN 0.418 nan 8.230 nan 0.000 0.452 178 N N -0.169 118.483 118.700 -0.079 0.000 2.331 178 N HA -0.188 4.562 4.740 0.017 0.000 0.180 178 N C 1.628 177.114 175.510 -0.041 0.000 1.019 178 N CA 0.597 53.645 53.050 -0.003 0.000 0.881 178 N CB 0.128 38.610 38.487 -0.007 0.000 0.972 178 N HN 0.433 nan 8.380 nan 0.000 0.435 179 E N 0.989 121.114 120.200 -0.126 0.000 2.427 179 E HA 0.036 4.396 4.350 0.017 0.000 0.196 179 E C -0.078 176.446 176.600 -0.125 0.000 1.028 179 E CA -0.193 56.180 56.400 -0.046 0.000 0.864 179 E CB 0.212 29.971 29.700 0.099 0.000 0.813 179 E HN 0.192 nan 8.360 nan 0.000 0.514 180 A N 1.532 124.041 122.820 -0.519 0.000 2.451 180 A HA 0.149 4.479 4.320 0.017 0.000 0.266 180 A C -0.119 177.507 177.584 0.071 0.000 1.119 180 A CA -0.117 51.556 52.037 -0.608 0.000 0.786 180 A CB 0.385 18.541 19.000 -1.406 0.000 1.061 180 A HN 0.173 nan 8.150 nan 0.000 0.503 181 Q N 0.876 120.780 119.800 0.174 0.000 2.185 181 Q HA 0.607 4.957 4.340 0.017 0.000 0.225 181 Q C 0.369 176.527 176.000 0.264 0.000 0.983 181 Q CA -0.290 55.633 55.803 0.200 0.000 0.950 181 Q CB 1.150 29.983 28.738 0.158 0.000 1.176 181 Q HN 0.923 nan 8.270 nan 0.000 0.510 182 A N 0.111 123.033 122.820 0.171 0.000 2.477 182 A HA 0.462 4.792 4.320 0.017 0.000 0.246 182 A C 0.986 178.671 177.584 0.168 0.000 1.078 182 A CA 0.684 52.814 52.037 0.154 0.000 0.770 182 A CB -0.777 18.261 19.000 0.063 0.000 1.011 182 A HN 0.931 nan 8.150 nan 0.000 0.494 183 G N 1.951 110.869 108.800 0.196 0.000 2.213 183 G HA2 -0.176 3.794 3.960 0.017 0.000 0.236 183 G HA3 -0.176 3.794 3.960 0.017 0.000 0.236 183 G C -0.035 174.972 174.900 0.177 0.000 0.991 183 G CA 0.275 45.472 45.100 0.162 0.000 0.629 183 G HN 0.788 nan 8.290 nan 0.000 0.517 184 D N 0.147 120.685 120.400 0.230 0.000 2.339 184 D HA 0.516 5.166 4.640 0.017 0.000 0.245 184 D C 0.506 176.909 176.300 0.171 0.000 1.115 184 D CA -0.094 54.035 54.000 0.215 0.000 0.917 184 D CB 1.758 42.736 40.800 0.296 0.000 1.192 184 D HN 0.132 nan 8.370 nan 0.000 0.428 185 V N 2.064 122.043 119.914 0.108 0.000 2.407 185 V HA 0.266 4.396 4.120 0.017 0.000 0.278 185 V C 0.051 176.118 176.094 -0.044 0.000 1.037 185 V CA -0.598 61.723 62.300 0.035 0.000 0.900 185 V CB 1.665 33.464 31.823 -0.040 0.000 0.983 185 V HN 0.215 nan 8.190 nan 0.000 0.459 186 V N 6.218 126.050 119.914 -0.136 0.000 2.384 186 V HA 0.390 4.520 4.120 0.017 0.000 0.287 186 V C -0.216 175.584 176.094 -0.491 0.000 1.020 186 V CA -0.640 61.431 62.300 -0.381 0.000 0.850 186 V CB 1.752 33.150 31.823 -0.708 0.000 0.987 186 V HN 0.598 nan 8.190 nan 0.000 0.436 187 L N 6.076 127.012 121.223 -0.478 0.000 2.292 187 L HA 0.634 4.984 4.340 0.017 0.000 0.284 187 L C -1.272 175.256 176.870 -0.570 0.000 1.065 187 L CA 0.331 54.909 54.840 -0.436 0.000 0.806 187 L CB 0.931 42.784 42.059 -0.344 0.000 1.175 187 L HN 0.490 nan 8.230 nan 0.000 0.431 188 F N 3.196 122.978 119.950 -0.280 0.000 2.551 188 F HA 0.445 4.982 4.527 0.016 0.000 0.316 188 F C 0.438 176.178 175.800 -0.100 0.000 1.089 188 F CA -0.714 57.155 58.000 -0.220 0.000 0.915 188 F CB 1.361 39.916 39.000 -0.742 0.000 1.186 188 F HN 0.416 nan 8.300 nan 0.000 0.456 189 H N 1.323 120.549 119.070 0.260 0.000 2.620 189 H HA 0.169 4.735 4.556 0.017 0.000 0.313 189 H C 0.963 176.493 175.328 0.336 0.000 1.075 189 H CA 0.158 56.358 56.048 0.254 0.000 1.397 189 H CB 1.719 31.637 29.762 0.260 0.000 1.446 189 H HN 0.952 nan 8.280 nan 0.000 0.493 190 G N 2.929 111.832 108.800 0.171 0.000 2.469 190 G HA2 -0.188 3.783 3.960 0.017 0.000 0.219 190 G HA3 -0.188 3.783 3.960 0.017 0.000 0.219 190 G C 0.561 175.533 174.900 0.120 0.000 1.150 190 G CA 1.235 46.155 45.100 -0.299 0.000 0.763 190 G HN 0.779 nan 8.290 nan 0.000 0.561 191 C N -5.317 114.189 119.300 0.344 0.000 3.259 191 C HA 0.504 4.974 4.460 0.017 0.000 0.344 191 C C 0.323 175.579 174.990 0.444 0.000 1.401 191 C CA -1.041 58.245 59.018 0.446 0.000 1.219 191 C CB 0.597 28.600 27.740 0.439 0.000 1.521 191 C HN 0.931 nan 8.230 nan 0.000 0.455 192 C N 2.285 121.792 119.300 0.344 0.000 3.268 192 C HA -0.124 4.347 4.460 0.017 0.000 0.277 192 C C 0.570 175.709 174.990 0.248 0.000 1.259 192 C CA 1.141 60.283 59.018 0.206 0.000 2.353 192 C CB -3.222 24.543 27.740 0.042 0.000 1.482 192 C HN 1.212 nan 8.230 nan 0.000 0.513 193 H N 2.098 121.269 119.070 0.168 0.000 3.125 193 H HA 0.064 4.630 4.556 0.017 0.000 0.310 193 H C 0.495 175.840 175.328 0.028 0.000 0.980 193 H CA 1.090 57.157 56.048 0.032 0.000 1.422 193 H CB 0.510 30.240 29.762 -0.054 0.000 1.432 193 H HN 0.709 nan 8.280 nan 0.000 0.577 194 N N 6.919 125.456 118.700 -0.272 0.000 2.425 194 N HA 0.135 4.885 4.740 0.017 0.000 0.268 194 N C -2.047 173.193 175.510 -0.451 0.000 0.991 194 N CA -2.254 50.706 53.050 -0.151 0.000 0.931 194 N CB 1.629 40.154 38.487 0.065 0.000 1.130 194 N HN 0.402 nan 8.380 nan 0.000 0.493 195 P HA 0.075 nan 4.420 nan 0.000 0.257 195 P C 0.794 177.907 177.300 -0.311 0.000 1.241 195 P CA 0.447 63.329 63.100 -0.363 0.000 0.816 195 P CB 0.303 31.776 31.700 -0.378 0.000 1.150 196 T N -4.224 110.182 114.554 -0.245 0.000 2.896 196 T HA 0.182 4.542 4.350 0.017 0.000 0.263 196 T C 1.750 176.498 174.700 0.080 0.000 1.050 196 T CA 1.336 63.299 62.100 -0.229 0.000 1.140 196 T CB -1.218 67.482 68.868 -0.279 0.000 0.877 196 T HN 0.180 nan 8.240 nan 0.000 0.457 197 G N 1.282 110.192 108.800 0.183 0.000 2.176 197 G HA2 -0.162 3.808 3.960 0.017 0.000 0.253 197 G HA3 -0.162 3.808 3.960 0.017 0.000 0.253 197 G C -0.009 175.002 174.900 0.186 0.000 0.979 197 G CA 0.011 45.219 45.100 0.180 0.000 0.641 197 G HN 0.579 nan 8.290 nan 0.000 0.530 198 I N 2.123 122.800 120.570 0.178 0.000 2.312 198 I HA 0.404 4.584 4.170 0.017 0.000 0.291 198 I C -0.445 175.755 176.117 0.139 0.000 1.031 198 I CA -0.721 60.650 61.300 0.117 0.000 1.293 198 I CB 0.875 38.901 38.000 0.043 0.000 1.403 198 I HN -0.006 nan 8.210 nan 0.000 0.484 199 D N 7.958 128.427 120.400 0.114 0.000 2.340 199 D HA 0.529 5.179 4.640 0.017 0.000 0.240 199 D C -2.300 173.943 176.300 -0.095 0.000 1.001 199 D CA -1.290 52.783 54.000 0.121 0.000 0.888 199 D CB 1.737 42.681 40.800 0.240 0.000 1.310 199 D HN 0.183 nan 8.370 nan 0.000 0.474 200 P HA 0.164 nan 4.420 nan 0.000 0.274 200 P C -0.009 177.039 177.300 -0.421 0.000 1.256 200 P CA -0.300 62.425 63.100 -0.626 0.000 0.795 200 P CB 0.467 31.396 31.700 -1.285 0.000 1.038 201 T N -1.357 113.010 114.554 -0.311 0.000 2.862 201 T HA 0.173 4.533 4.350 0.017 0.000 0.276 201 T C 1.005 175.764 174.700 0.099 0.000 0.974 201 T CA -0.614 61.446 62.100 -0.066 0.000 0.966 201 T CB 0.228 69.042 68.868 -0.091 0.000 1.072 201 T HN 0.148 nan 8.240 nan 0.000 0.538 202 L N 0.493 121.842 121.223 0.210 0.000 2.127 202 L HA -0.009 4.341 4.340 0.017 0.000 0.211 202 L C 2.439 179.428 176.870 0.198 0.000 1.089 202 L CA 1.802 56.811 54.840 0.282 0.000 0.757 202 L CB -1.144 41.021 42.059 0.176 0.000 0.899 202 L HN 0.851 nan 8.230 nan 0.000 0.434 203 E N -1.151 119.096 120.200 0.077 0.000 2.072 203 E HA -0.217 4.143 4.350 0.017 0.000 0.190 203 E C 2.112 178.712 176.600 -0.001 0.000 0.982 203 E CA 1.181 57.601 56.400 0.033 0.000 0.803 203 E CB -0.087 29.605 29.700 -0.013 0.000 0.755 203 E HN 0.661 nan 8.360 nan 0.000 0.453 204 Q N -0.503 119.200 119.800 -0.160 0.000 2.172 204 Q HA -0.137 4.213 4.340 0.017 0.000 0.200 204 Q C 1.734 177.763 176.000 0.048 0.000 0.964 204 Q CA 1.017 56.592 55.803 -0.381 0.000 0.855 204 Q CB -0.076 28.062 28.738 -0.998 0.000 0.918 204 Q HN 0.402 nan 8.270 nan 0.000 0.444 205 W N 1.327 122.673 121.300 0.077 0.000 2.379 205 W HA -0.166 4.504 4.660 0.017 0.000 0.307 205 W C 2.310 178.933 176.519 0.173 0.000 1.200 205 W CA 0.623 58.090 57.345 0.204 0.000 1.297 205 W CB 0.115 29.695 29.460 0.201 0.000 1.140 205 W HN 0.183 nan 8.180 nan 0.000 0.507 206 Q N -0.691 119.311 119.800 0.337 0.000 2.170 206 Q HA -0.166 4.184 4.340 0.017 0.000 0.203 206 Q C 1.943 178.011 176.000 0.113 0.000 0.976 206 Q CA 1.934 57.834 55.803 0.162 0.000 0.858 206 Q CB -0.530 28.276 28.738 0.114 0.000 0.907 206 Q HN 0.228 nan 8.270 nan 0.000 0.433 207 T N 1.205 115.867 114.554 0.180 0.000 2.812 207 T HA -0.054 4.306 4.350 0.017 0.000 0.264 207 T C 1.840 176.653 174.700 0.189 0.000 1.042 207 T CA 0.732 62.945 62.100 0.189 0.000 1.140 207 T CB -0.105 68.953 68.868 0.316 0.000 0.870 207 T HN 0.171 nan 8.240 nan 0.000 0.445 208 L N 0.747 122.155 121.223 0.307 0.000 2.093 208 L HA -0.045 4.305 4.340 0.017 0.000 0.208 208 L C 2.999 179.899 176.870 0.049 0.000 1.085 208 L CA 1.014 56.054 54.840 0.333 0.000 0.755 208 L CB -0.609 41.770 42.059 0.533 0.000 0.904 208 L HN 0.242 nan 8.230 nan 0.000 0.435 209 A N -0.518 122.088 122.820 -0.357 0.000 1.902 209 A HA -0.237 4.093 4.320 0.017 0.000 0.217 209 A C 2.233 179.628 177.584 -0.314 0.000 1.181 209 A CA 1.480 52.977 52.037 -0.899 0.000 0.623 209 A CB -0.387 18.166 19.000 -0.746 0.000 0.818 209 A HN 0.445 nan 8.150 nan 0.000 0.443 210 Q N -1.237 118.457 119.800 -0.177 0.000 2.046 210 Q HA -0.109 4.241 4.340 0.017 0.000 0.200 210 Q C 2.114 178.013 176.000 -0.169 0.000 0.975 210 Q CA 1.337 57.050 55.803 -0.150 0.000 0.836 210 Q CB -0.299 28.386 28.738 -0.089 0.000 0.896 210 Q HN 0.562 nan 8.270 nan 0.000 0.428 211 L N 0.431 121.577 121.223 -0.127 0.000 2.042 211 L HA -0.205 4.145 4.340 0.017 0.000 0.210 211 L C 2.344 178.951 176.870 -0.438 0.000 1.076 211 L CA 1.864 56.574 54.840 -0.216 0.000 0.749 211 L CB -0.784 41.224 42.059 -0.085 0.000 0.893 211 L HN 0.077 nan 8.230 nan 0.000 0.432 212 S N -1.179 114.403 115.700 -0.198 0.000 2.359 212 S HA -0.171 4.310 4.470 0.017 0.000 0.224 212 S C 2.071 176.575 174.600 -0.160 0.000 1.035 212 S CA 1.838 60.020 58.200 -0.032 0.000 1.018 212 S CB -0.623 62.932 63.200 0.591 0.000 0.876 212 S HN 0.509 nan 8.310 nan 0.000 0.448 213 V N -0.193 119.557 119.914 -0.273 0.000 2.548 213 V HA 0.029 4.160 4.120 0.017 0.000 0.249 213 V C 2.116 178.040 176.094 -0.284 0.000 1.055 213 V CA 2.186 64.260 62.300 -0.376 0.000 1.065 213 V CB -0.935 30.589 31.823 -0.499 0.000 0.681 213 V HN 0.557 nan 8.190 nan 0.000 0.462 214 E N 0.055 120.071 120.200 -0.305 0.000 2.152 214 E HA -0.124 4.236 4.350 0.017 0.000 0.192 214 E C 1.933 178.340 176.600 -0.322 0.000 0.983 214 E CA 0.808 57.046 56.400 -0.271 0.000 0.818 214 E CB 0.098 29.649 29.700 -0.248 0.000 0.758 214 E HN 0.522 nan 8.360 nan 0.000 0.467 215 K N -0.987 119.097 120.400 -0.526 0.000 2.361 215 K HA 0.094 4.424 4.320 0.017 0.000 0.194 215 K C 0.877 177.209 176.600 -0.448 0.000 1.032 215 K CA 0.756 56.666 56.287 -0.629 0.000 1.048 215 K CB 1.163 32.917 32.500 -1.244 0.000 0.842 215 K HN 0.245 nan 8.250 nan 0.000 0.526 216 G N 1.815 110.432 108.800 -0.304 0.000 2.182 216 G HA2 -0.169 3.801 3.960 0.017 0.000 0.248 216 G HA3 -0.169 3.801 3.960 0.017 0.000 0.248 216 G C -0.372 174.623 174.900 0.158 0.000 1.042 216 G CA -0.230 44.840 45.100 -0.049 0.000 0.775 216 G HN 0.069 nan 8.290 nan 0.000 0.501 217 W N -0.657 120.717 121.300 0.123 0.000 2.184 217 W HA 0.661 5.331 4.660 0.017 0.000 0.338 217 W C 0.537 177.181 176.519 0.209 0.000 1.257 217 W CA -1.374 56.054 57.345 0.139 0.000 1.243 217 W CB 0.534 30.079 29.460 0.143 0.000 1.122 217 W HN 0.062 nan 8.180 nan 0.000 0.585 218 L N 5.596 127.061 121.223 0.403 0.000 2.277 218 L HA 0.366 4.717 4.340 0.017 0.000 0.284 218 L C -2.323 174.712 176.870 0.275 0.000 1.028 218 L CA -1.777 53.249 54.840 0.311 0.000 0.835 218 L CB 1.093 43.290 42.059 0.229 0.000 1.215 218 L HN 0.006 nan 8.230 nan 0.000 0.425 219 P HA 0.251 nan 4.420 nan 0.000 0.278 219 P C -1.164 176.261 177.300 0.208 0.000 1.238 219 P CA -0.477 62.788 63.100 0.275 0.000 0.794 219 P CB 1.051 32.949 31.700 0.331 0.000 0.955 220 L N 4.161 125.448 121.223 0.107 0.000 2.457 220 L HA 0.512 4.862 4.340 0.017 0.000 0.266 220 L C -1.831 175.075 176.870 0.059 0.000 0.979 220 L CA -0.700 54.218 54.840 0.130 0.000 0.857 220 L CB 0.137 42.247 42.059 0.084 0.000 1.213 220 L HN 0.143 nan 8.230 nan 0.000 0.418 221 F N 3.362 123.353 119.950 0.068 0.000 2.411 221 F HA 0.366 4.903 4.527 0.017 0.000 0.350 221 F C 0.534 176.356 175.800 0.036 0.000 1.114 221 F CA -0.158 57.851 58.000 0.015 0.000 1.135 221 F CB 1.197 40.127 39.000 -0.116 0.000 1.120 221 F HN 0.479 nan 8.300 nan 0.000 0.495 222 D N 4.133 124.614 120.400 0.135 0.000 2.317 222 D HA 0.152 4.802 4.640 0.017 0.000 0.234 222 D C -1.341 175.051 176.300 0.153 0.000 1.112 222 D CA -0.144 53.921 54.000 0.109 0.000 0.840 222 D CB 0.416 41.222 40.800 0.010 0.000 1.078 222 D HN 0.167 nan 8.370 nan 0.000 0.486 223 F N 3.368 123.346 119.950 0.045 0.000 2.451 223 F HA 0.489 5.027 4.527 0.019 0.000 0.367 223 F C 0.508 176.247 175.800 -0.102 0.000 1.100 223 F CA -1.229 56.784 58.000 0.023 0.000 1.171 223 F CB 1.024 40.011 39.000 -0.021 0.000 1.405 223 F HN 0.493 nan 8.300 nan 0.000 0.482 224 A N 3.085 125.970 122.820 0.108 0.000 2.343 224 A HA 0.193 4.523 4.320 0.017 0.000 0.223 224 A C -0.044 177.284 177.584 -0.427 0.000 1.214 224 A CA 0.302 52.173 52.037 -0.277 0.000 0.900 224 A CB -0.232 18.444 19.000 -0.539 0.000 0.942 224 A HN 0.550 nan 8.150 nan 0.000 0.507 225 Y N 0.054 120.509 120.300 0.258 0.000 2.698 225 Y HA 0.293 4.854 4.550 0.017 0.000 0.261 225 Y C 0.585 176.715 175.900 0.383 0.000 1.104 225 Y CA -0.634 57.669 58.100 0.339 0.000 1.145 225 Y CB 0.134 38.740 38.460 0.243 0.000 1.191 225 Y HN 0.362 nan 8.280 nan 0.000 0.564 226 Q N 0.778 120.721 119.800 0.238 0.000 2.300 226 Q HA 0.312 4.663 4.340 0.017 0.000 0.280 226 Q C 1.208 177.249 176.000 0.068 0.000 1.033 226 Q CA 1.539 57.373 55.803 0.052 0.000 0.903 226 Q CB 0.429 28.888 28.738 -0.465 0.000 1.195 226 Q HN 0.790 nan 8.270 nan 0.000 0.386 227 G N 3.185 112.010 108.800 0.041 0.000 2.194 227 G HA2 -0.273 3.698 3.960 0.017 0.000 0.236 227 G HA3 -0.273 3.698 3.960 0.017 0.000 0.236 227 G C 0.158 174.945 174.900 -0.188 0.000 0.987 227 G CA 0.152 45.168 45.100 -0.139 0.000 0.635 227 G HN 0.661 nan 8.290 nan 0.000 0.520 228 F N 1.111 121.098 119.950 0.062 0.000 2.754 228 F HA 0.567 5.103 4.527 0.016 0.000 0.297 228 F C 2.455 178.280 175.800 0.041 0.000 1.122 228 F CA 1.360 59.387 58.000 0.045 0.000 1.400 228 F CB 0.234 39.292 39.000 0.097 0.000 1.117 228 F HN 0.354 nan 8.300 nan 0.000 0.587 229 A N 0.183 123.145 122.820 0.236 0.000 1.896 229 A HA 0.153 4.483 4.320 0.017 0.000 0.213 229 A C 2.028 179.679 177.584 0.112 0.000 1.306 229 A CA 0.775 52.919 52.037 0.178 0.000 0.626 229 A CB -0.103 19.023 19.000 0.209 0.000 0.994 229 A HN 0.221 nan 8.150 nan 0.000 0.475 230 R N -2.210 118.345 120.500 0.093 0.000 2.276 230 R HA 0.436 4.786 4.340 0.017 0.000 0.195 230 R C 0.647 176.949 176.300 0.003 0.000 0.908 230 R CA 0.736 56.866 56.100 0.051 0.000 1.083 230 R CB 1.035 31.374 30.300 0.066 0.000 1.182 230 R HN 0.676 nan 8.270 nan 0.000 0.608 234 E N 0.613 120.799 120.200 -0.023 0.000 2.072 234 E HA -0.137 4.223 4.350 0.017 0.000 0.190 234 E C 1.599 178.214 176.600 0.025 0.000 0.982 234 E CA 1.366 57.765 56.400 -0.002 0.000 0.803 234 E CB 0.238 29.935 29.700 -0.005 0.000 0.755 234 E HN 0.487 nan 8.360 nan 0.000 0.453 235 E N 1.040 121.258 120.200 0.030 0.000 2.085 235 E HA -0.175 4.185 4.350 0.017 0.000 0.194 235 E C 1.555 178.214 176.600 0.098 0.000 0.994 235 E CA 1.372 57.806 56.400 0.057 0.000 0.801 235 E CB -0.039 29.693 29.700 0.052 0.000 0.743 235 E HN 0.151 nan 8.360 nan 0.000 0.453 236 D N -0.484 119.990 120.400 0.123 0.000 2.310 236 D HA -0.068 4.582 4.640 0.017 0.000 0.212 236 D C 1.215 177.683 176.300 0.281 0.000 0.965 236 D CA 1.031 55.163 54.000 0.221 0.000 0.879 236 D CB -0.017 40.938 40.800 0.259 0.000 0.921 236 D HN 0.213 nan 8.370 nan 0.000 0.510 237 A N 0.050 122.984 122.820 0.191 0.000 2.308 237 A HA 0.055 4.385 4.320 0.017 0.000 0.217 237 A C 1.785 179.352 177.584 -0.028 0.000 1.216 237 A CA -0.006 52.132 52.037 0.168 0.000 0.864 237 A CB -0.091 18.967 19.000 0.096 0.000 0.902 237 A HN 0.049 nan 8.150 nan 0.000 0.499 238 E N 0.017 120.204 120.200 -0.022 0.000 2.118 238 E HA -0.170 4.190 4.350 0.017 0.000 0.195 238 E C 2.053 178.533 176.600 -0.201 0.000 0.992 238 E CA 1.033 57.402 56.400 -0.052 0.000 0.804 238 E CB -0.191 29.524 29.700 0.026 0.000 0.741 238 E HN 0.630 nan 8.360 nan 0.000 0.458 239 G N 1.127 109.636 108.800 -0.485 0.000 2.404 239 G HA2 -0.246 3.724 3.960 0.017 0.000 0.215 239 G HA3 -0.246 3.724 3.960 0.017 0.000 0.215 239 G C 1.515 175.892 174.900 -0.871 0.000 1.174 239 G CA 0.590 44.969 45.100 -1.202 0.000 0.780 239 G HN 0.182 nan 8.290 nan 0.000 0.537 240 L N 0.723 121.409 121.223 -0.896 0.000 2.056 240 L HA 0.095 4.445 4.340 0.017 0.000 0.207 240 L C 2.823 179.488 176.870 -0.342 0.000 1.078 240 L CA 1.570 55.794 54.840 -1.027 0.000 0.749 240 L CB -0.558 40.973 42.059 -0.880 0.000 0.901 240 L HN 0.123 nan 8.230 nan 0.000 0.433 241 R N -0.266 120.140 120.500 -0.156 0.000 2.096 241 R HA -0.107 4.244 4.340 0.017 0.000 0.235 241 R C 2.227 178.543 176.300 0.026 0.000 1.127 241 R CA 1.200 57.302 56.100 0.002 0.000 0.968 241 R CB -0.724 29.588 30.300 0.021 0.000 0.861 241 R HN 0.544 nan 8.270 nan 0.000 0.440 242 A N 0.829 123.663 122.820 0.022 0.000 1.902 242 A HA -0.155 4.175 4.320 0.017 0.000 0.217 242 A C 1.875 179.538 177.584 0.131 0.000 1.181 242 A CA 1.193 53.279 52.037 0.081 0.000 0.623 242 A CB -0.528 18.545 19.000 0.121 0.000 0.818 242 A HN 0.178 nan 8.150 nan 0.000 0.443 243 F N 0.058 120.000 119.950 -0.013 0.000 2.113 243 F HA -0.013 4.524 4.527 0.017 0.000 0.297 243 F C 2.773 178.645 175.800 0.121 0.000 1.103 243 F CA 0.980 59.038 58.000 0.097 0.000 1.248 243 F CB -0.540 38.477 39.000 0.028 0.000 0.999 243 F HN 0.240 nan 8.300 nan 0.000 0.475 244 A N -0.338 122.599 122.820 0.195 0.000 2.070 244 A HA -0.033 4.297 4.320 0.017 0.000 0.220 244 A C 2.280 179.888 177.584 0.040 0.000 1.159 244 A CA 1.549 53.631 52.037 0.075 0.000 0.656 244 A CB -1.116 17.865 19.000 -0.033 0.000 0.800 244 A HN 0.307 nan 8.150 nan 0.000 0.453 245 A N -1.176 121.678 122.820 0.058 0.000 2.021 245 A HA 0.211 4.541 4.320 0.017 0.000 0.216 245 A C 1.965 179.561 177.584 0.019 0.000 1.163 245 A CA 1.311 53.360 52.037 0.021 0.000 0.676 245 A CB -0.258 18.751 19.000 0.015 0.000 0.818 245 A HN 0.498 nan 8.150 nan 0.000 0.453 246 M N -0.987 118.645 119.600 0.052 0.000 2.337 246 M HA 0.198 4.688 4.480 0.017 0.000 0.256 246 M C -0.247 175.997 176.300 -0.094 0.000 1.075 246 M CA 0.188 55.468 55.300 -0.034 0.000 1.024 246 M CB 0.408 32.946 32.600 -0.103 0.000 1.429 246 M HN 0.260 nan 8.290 nan 0.000 0.497 247 H N 0.256 119.338 119.070 0.021 0.000 2.472 247 H HA 0.321 4.888 4.556 0.017 0.000 0.338 247 H C 0.238 175.590 175.328 0.041 0.000 1.133 247 H CA -0.495 55.589 56.048 0.060 0.000 1.216 247 H CB 1.838 31.693 29.762 0.155 0.000 1.497 247 H HN -0.070 nan 8.280 nan 0.000 0.500 248 K N 1.385 121.871 120.400 0.145 0.000 2.137 248 K HA 0.054 4.384 4.320 0.017 0.000 0.202 248 K C 0.154 176.825 176.600 0.118 0.000 1.052 248 K CA 0.862 57.204 56.287 0.091 0.000 0.961 248 K CB 0.493 33.030 32.500 0.062 0.000 0.741 248 K HN 0.679 nan 8.250 nan 0.000 0.452 249 E N 0.210 120.520 120.200 0.184 0.000 2.277 249 E HA 0.540 4.900 4.350 0.017 0.000 0.266 249 E C -1.210 175.525 176.600 0.225 0.000 0.901 249 E CA -0.798 55.714 56.400 0.186 0.000 0.782 249 E CB 2.080 31.894 29.700 0.190 0.000 1.228 249 E HN -0.132 nan 8.360 nan 0.000 0.424 250 L N 1.488 122.831 121.223 0.200 0.000 2.789 250 L HA 0.500 4.850 4.340 0.017 0.000 0.258 250 L C -2.206 174.796 176.870 0.221 0.000 0.966 250 L CA -0.226 54.744 54.840 0.217 0.000 0.916 250 L CB 1.732 43.907 42.059 0.193 0.000 1.475 250 L HN 0.621 nan 8.230 nan 0.000 0.418 251 I N 3.607 124.326 120.570 0.249 0.000 2.534 251 I HA 0.634 4.814 4.170 0.017 0.000 0.288 251 I C -1.292 174.984 176.117 0.267 0.000 1.077 251 I CA -0.998 60.445 61.300 0.239 0.000 1.051 251 I CB 2.148 40.291 38.000 0.238 0.000 1.234 251 I HN 0.454 nan 8.210 nan 0.000 0.425 252 V N 5.720 125.778 119.914 0.241 0.000 2.531 252 V HA 0.857 4.987 4.120 0.017 0.000 0.301 252 V C -0.608 175.597 176.094 0.186 0.000 1.034 252 V CA -0.155 62.289 62.300 0.240 0.000 0.865 252 V CB 1.691 33.639 31.823 0.208 0.000 0.995 252 V HN 0.799 nan 8.190 nan 0.000 0.424 253 A N 5.395 128.330 122.820 0.191 0.000 2.273 253 A HA 0.837 5.168 4.320 0.017 0.000 0.320 253 A C 0.175 177.824 177.584 0.107 0.000 1.358 253 A CA 0.006 52.130 52.037 0.145 0.000 0.910 253 A CB 0.599 19.694 19.000 0.159 0.000 1.159 253 A HN 1.530 nan 8.150 nan 0.000 0.526 254 S N 1.522 117.239 115.700 0.029 0.000 2.621 254 S HA 0.842 5.323 4.470 0.017 0.000 0.302 254 S C -0.059 174.439 174.600 -0.171 0.000 1.093 254 S CA -0.529 57.614 58.200 -0.095 0.000 1.017 254 S CB 1.734 64.777 63.200 -0.263 0.000 1.077 254 S HN 1.055 nan 8.310 nan 0.000 0.517 255 S N -0.054 115.474 115.700 -0.286 0.000 2.548 255 S HA 0.633 5.113 4.470 0.017 0.000 0.286 255 S C -1.469 172.910 174.600 -0.369 0.000 1.098 255 S CA -0.607 57.452 58.200 -0.235 0.000 0.930 255 S CB 0.857 63.944 63.200 -0.187 0.000 1.070 255 S HN 0.714 nan 8.310 nan 0.000 0.480 256 Y N 1.703 121.980 120.300 -0.038 0.000 2.641 256 Y HA 0.309 4.872 4.550 0.021 0.000 0.248 256 Y C 2.066 177.950 175.900 -0.026 0.000 1.170 256 Y CA -0.244 57.863 58.100 0.012 0.000 1.201 256 Y CB 0.350 38.739 38.460 -0.119 0.000 1.232 256 Y HN 0.577 nan 8.280 nan 0.000 0.537 257 S N 0.330 116.033 115.700 0.006 0.000 2.356 257 S HA -0.180 4.300 4.470 0.017 0.000 0.223 257 S C 1.806 176.130 174.600 -0.460 0.000 1.032 257 S CA 1.724 59.831 58.200 -0.156 0.000 1.005 257 S CB 0.001 63.183 63.200 -0.030 0.000 0.867 257 S HN 0.385 nan 8.310 nan 0.000 0.449 258 K N 1.801 122.090 120.400 -0.185 0.000 2.098 258 K HA 0.084 4.414 4.320 0.017 0.000 0.203 258 K C 1.714 178.475 176.600 0.268 0.000 1.051 258 K CA 1.115 57.389 56.287 -0.021 0.000 0.957 258 K CB -0.229 32.330 32.500 0.097 0.000 0.738 258 K HN 0.595 nan 8.250 nan 0.000 0.447 259 N N -0.559 118.355 118.700 0.357 0.000 2.515 259 N HA -0.066 4.684 4.740 0.017 0.000 0.185 259 N C 0.677 176.333 175.510 0.244 0.000 1.109 259 N CA 0.536 53.774 53.050 0.313 0.000 0.903 259 N CB 0.099 38.744 38.487 0.263 0.000 0.969 259 N HN 0.068 nan 8.380 nan 0.000 0.450 260 F N -0.139 119.900 119.950 0.149 0.000 2.746 260 F HA 0.376 4.911 4.527 0.013 0.000 0.320 260 F C 1.490 177.275 175.800 -0.024 0.000 1.097 260 F CA -0.035 58.007 58.000 0.070 0.000 1.195 260 F CB 0.992 39.928 39.000 -0.107 0.000 1.056 260 F HN 0.098 nan 8.300 nan 0.000 0.562 261 G N 1.434 110.234 108.800 -0.000 0.000 2.258 261 G HA2 -0.323 3.647 3.960 0.017 0.000 0.274 261 G HA3 -0.323 3.647 3.960 0.017 0.000 0.274 261 G C 0.573 175.394 174.900 -0.130 0.000 1.021 261 G CA 0.394 45.408 45.100 -0.143 0.000 0.798 261 G HN 0.403 nan 8.290 nan 0.000 0.507 262 L N -0.151 120.974 121.223 -0.163 0.000 2.851 262 L HA 0.284 4.635 4.340 0.017 0.000 0.237 262 L C 2.128 178.979 176.870 -0.033 0.000 1.257 262 L CA -0.733 54.078 54.840 -0.047 0.000 1.061 262 L CB -0.413 41.619 42.059 -0.046 0.000 1.372 262 L HN 0.341 nan 8.230 nan 0.000 0.493 263 Y N 0.814 121.163 120.300 0.081 0.000 1.997 263 Y HA -0.395 4.164 4.550 0.015 0.000 0.265 263 Y C 2.482 178.394 175.900 0.020 0.000 1.193 263 Y CA 2.005 60.135 58.100 0.051 0.000 1.106 263 Y CB -0.644 37.836 38.460 0.033 0.000 0.940 263 Y HN 0.554 nan 8.280 nan 0.000 0.494 264 N N -0.085 118.733 118.700 0.197 0.000 2.521 264 N HA -0.105 4.645 4.740 0.017 0.000 0.188 264 N C 0.725 176.266 175.510 0.053 0.000 1.146 264 N CA 0.927 54.033 53.050 0.093 0.000 0.893 264 N CB -0.369 38.153 38.487 0.059 0.000 0.975 264 N HN 0.411 nan 8.380 nan 0.000 0.451 265 E N 0.499 120.728 120.200 0.049 0.000 2.474 265 E HA 0.058 4.418 4.350 0.017 0.000 0.194 265 E C -0.241 176.345 176.600 -0.023 0.000 1.041 265 E CA -0.053 56.359 56.400 0.020 0.000 0.874 265 E CB 0.120 29.837 29.700 0.029 0.000 0.914 265 E HN 0.147 nan 8.360 nan 0.000 0.498 266 R N -0.158 120.333 120.500 -0.014 0.000 2.994 266 R HA -0.112 4.239 4.340 0.017 0.000 0.267 266 R C -0.853 175.406 176.300 -0.068 0.000 0.914 266 R CA 0.199 56.276 56.100 -0.038 0.000 0.668 266 R CB -3.056 27.203 30.300 -0.069 0.000 1.524 266 R HN -0.075 nan 8.270 nan 0.000 0.478 267 V N 0.291 120.186 119.914 -0.031 0.000 2.409 267 V HA 0.939 5.070 4.120 0.017 0.000 0.291 267 V C 1.086 177.282 176.094 0.169 0.000 1.020 267 V CA 0.011 62.306 62.300 -0.008 0.000 0.848 267 V CB 2.202 33.987 31.823 -0.063 0.000 0.990 267 V HN 0.750 nan 8.190 nan 0.000 0.430 268 G N 2.681 111.616 108.800 0.225 0.000 2.600 268 G HA2 0.882 4.852 3.960 0.017 0.000 0.293 268 G HA3 0.882 4.852 3.960 0.017 0.000 0.293 268 G C -1.543 173.563 174.900 0.343 0.000 1.408 268 G CA -0.090 45.161 45.100 0.251 0.000 0.782 268 G HN 1.177 nan 8.290 nan 0.000 0.482 269 A N -1.521 121.436 122.820 0.228 0.000 2.549 269 A HA 0.665 4.995 4.320 0.017 0.000 0.297 269 A C -1.096 176.578 177.584 0.150 0.000 1.061 269 A CA -0.303 51.877 52.037 0.239 0.000 0.690 269 A CB 1.488 20.622 19.000 0.223 0.000 1.287 269 A HN 1.912 nan 8.150 nan 0.000 0.402 270 C N 2.147 121.552 119.300 0.175 0.000 2.293 270 C HA 0.767 5.237 4.460 0.017 0.000 0.323 270 C C 0.027 175.113 174.990 0.160 0.000 1.240 270 C CA -0.007 59.108 59.018 0.162 0.000 1.497 270 C CB -0.613 27.229 27.740 0.170 0.000 2.171 270 C HN 0.796 nan 8.230 nan 0.000 0.465 271 T N 7.066 121.699 114.554 0.132 0.000 2.767 271 T HA 0.399 4.760 4.350 0.017 0.000 0.284 271 T C -0.419 174.361 174.700 0.134 0.000 0.973 271 T CA -0.230 61.942 62.100 0.120 0.000 0.996 271 T CB 1.034 69.974 68.868 0.119 0.000 0.927 271 T HN 0.648 nan 8.240 nan 0.000 0.456 272 L N 4.192 125.462 121.223 0.078 0.000 2.282 272 L HA 0.652 5.003 4.340 0.017 0.000 0.288 272 L C -0.996 175.903 176.870 0.049 0.000 1.033 272 L CA -0.773 54.106 54.840 0.065 0.000 0.807 272 L CB 1.237 43.316 42.059 0.035 0.000 1.209 272 L HN 0.404 nan 8.230 nan 0.000 0.423 273 V N 4.075 124.038 119.914 0.082 0.000 2.487 273 V HA 0.767 4.898 4.120 0.017 0.000 0.298 273 V C -0.017 176.115 176.094 0.064 0.000 1.028 273 V CA -0.449 61.872 62.300 0.036 0.000 0.860 273 V CB 1.484 33.309 31.823 0.003 0.000 0.991 273 V HN 0.892 nan 8.190 nan 0.000 0.427 274 A N 3.270 126.113 122.820 0.039 0.000 2.437 274 A HA 0.927 5.257 4.320 0.017 0.000 0.292 274 A C 1.129 178.734 177.584 0.035 0.000 1.173 274 A CA 0.056 52.131 52.037 0.063 0.000 0.785 274 A CB 1.344 20.390 19.000 0.077 0.000 1.351 274 A HN 1.183 nan 8.150 nan 0.000 0.431 275 A N -0.391 122.456 122.820 0.044 0.000 1.940 275 A HA 0.181 4.511 4.320 0.017 0.000 0.219 275 A C 0.549 178.139 177.584 0.010 0.000 1.176 275 A CA 2.438 54.490 52.037 0.026 0.000 0.631 275 A CB -0.777 18.242 19.000 0.032 0.000 0.814 275 A HN 1.044 nan 8.150 nan 0.000 0.446 276 D N -4.395 116.014 120.400 0.014 0.000 2.643 276 D HA 0.385 5.035 4.640 0.017 0.000 0.283 276 D C 0.633 176.937 176.300 0.006 0.000 1.242 276 D CA 0.073 54.076 54.000 0.005 0.000 0.863 276 D CB 0.368 41.173 40.800 0.009 0.000 1.382 276 D HN 0.005 nan 8.370 nan 0.000 0.444 277 S N -0.792 114.908 115.700 -0.000 0.000 2.382 277 S HA -0.240 4.240 4.470 0.017 0.000 0.228 277 S C 1.516 176.126 174.600 0.017 0.000 1.027 277 S CA 1.093 59.293 58.200 -0.001 0.000 0.991 277 S CB -0.482 62.714 63.200 -0.006 0.000 0.823 277 S HN 0.564 nan 8.310 nan 0.000 0.469 278 E N 1.621 121.834 120.200 0.022 0.000 2.085 278 E HA -0.143 4.217 4.350 0.017 0.000 0.194 278 E C 1.921 178.550 176.600 0.048 0.000 0.994 278 E CA 1.884 58.304 56.400 0.033 0.000 0.801 278 E CB -0.688 29.029 29.700 0.028 0.000 0.743 278 E HN 0.638 nan 8.360 nan 0.000 0.453 279 T N 0.707 115.291 114.554 0.049 0.000 2.732 279 T HA -0.089 4.271 4.350 0.017 0.000 0.261 279 T C 1.931 176.684 174.700 0.088 0.000 1.040 279 T CA 1.190 63.331 62.100 0.068 0.000 1.145 279 T CB -0.454 68.453 68.868 0.066 0.000 0.866 279 T HN 0.063 nan 8.240 nan 0.000 0.427 280 V N 1.890 121.845 119.914 0.068 0.000 2.594 280 V HA -0.182 3.948 4.120 0.017 0.000 0.253 280 V C 1.808 177.962 176.094 0.102 0.000 1.069 280 V CA 1.960 64.303 62.300 0.071 0.000 1.082 280 V CB -0.578 31.250 31.823 0.008 0.000 0.680 280 V HN 0.375 nan 8.190 nan 0.000 0.469 281 D N -0.458 119.994 120.400 0.088 0.000 2.123 281 D HA -0.120 4.530 4.640 0.017 0.000 0.200 281 D C 2.306 178.701 176.300 0.159 0.000 0.976 281 D CA 1.264 55.339 54.000 0.124 0.000 0.831 281 D CB -0.243 40.605 40.800 0.080 0.000 0.974 281 D HN 0.364 nan 8.370 nan 0.000 0.469 282 R N 0.337 120.913 120.500 0.126 0.000 2.073 282 R HA -0.055 4.295 4.340 0.017 0.000 0.234 282 R C 2.053 178.450 176.300 0.161 0.000 1.134 282 R CA 1.421 57.593 56.100 0.121 0.000 0.952 282 R CB -0.164 30.195 30.300 0.098 0.000 0.850 282 R HN 0.134 nan 8.270 nan 0.000 0.433 283 A N -0.078 122.860 122.820 0.198 0.000 1.930 283 A HA -0.173 4.158 4.320 0.017 0.000 0.217 283 A C 2.017 179.751 177.584 0.250 0.000 1.175 283 A CA 1.087 53.294 52.037 0.283 0.000 0.627 283 A CB -0.725 18.461 19.000 0.311 0.000 0.815 283 A HN 0.519 nan 8.150 nan 0.000 0.443 284 F N 1.489 121.451 119.950 0.019 0.000 2.293 284 F HA -0.189 4.348 4.527 0.016 0.000 0.300 284 F C 2.733 178.532 175.800 -0.002 0.000 1.086 284 F CA 1.499 59.473 58.000 -0.044 0.000 1.375 284 F CB 0.082 39.066 39.000 -0.028 0.000 1.045 284 F HN 0.377 nan 8.300 nan 0.000 0.516 285 S N -0.581 115.155 115.700 0.061 0.000 2.399 285 S HA -0.220 4.260 4.470 0.017 0.000 0.231 285 S C 1.775 176.347 174.600 -0.047 0.000 1.022 285 S CA 0.995 59.182 58.200 -0.021 0.000 0.983 285 S CB -0.454 62.772 63.200 0.044 0.000 0.803 285 S HN 0.458 nan 8.310 nan 0.000 0.480 286 Q N 0.189 120.018 119.800 0.049 0.000 2.331 286 Q HA 0.206 4.556 4.340 0.017 0.000 0.203 286 Q C 1.997 178.063 176.000 0.109 0.000 0.944 286 Q CA 0.843 56.717 55.803 0.118 0.000 0.892 286 Q CB -0.274 28.615 28.738 0.252 0.000 0.983 286 Q HN 0.759 nan 8.270 nan 0.000 0.482 287 M N 0.349 119.904 119.600 -0.075 0.000 2.236 287 M HA -0.093 4.397 4.480 0.017 0.000 0.266 287 M C 1.637 177.753 176.300 -0.306 0.000 1.070 287 M CA 1.372 56.534 55.300 -0.231 0.000 1.137 287 M CB 0.199 32.489 32.600 -0.516 0.000 1.378 287 M HN -0.092 nan 8.290 nan 0.000 0.426 288 K N 0.225 120.352 120.400 -0.455 0.000 2.148 288 K HA -0.024 4.306 4.320 0.017 0.000 0.204 288 K C 1.912 178.382 176.600 -0.217 0.000 1.050 288 K CA 1.166 57.226 56.287 -0.377 0.000 0.942 288 K CB -0.185 32.078 32.500 -0.395 0.000 0.724 288 K HN 0.436 nan 8.250 nan 0.000 0.446 289 A N 1.320 124.053 122.820 -0.146 0.000 2.015 289 A HA -0.043 4.287 4.320 0.017 0.000 0.219 289 A C 2.269 179.800 177.584 -0.087 0.000 1.163 289 A CA 1.594 53.575 52.037 -0.093 0.000 0.646 289 A CB -0.391 18.583 19.000 -0.044 0.000 0.806 289 A HN 0.307 nan 8.150 nan 0.000 0.448 290 A N -0.385 122.394 122.820 -0.069 0.000 2.016 290 A HA 0.100 4.431 4.320 0.017 0.000 0.217 290 A C 2.002 179.507 177.584 -0.132 0.000 1.162 290 A CA 1.194 53.203 52.037 -0.046 0.000 0.662 290 A CB -0.422 18.604 19.000 0.044 0.000 0.812 290 A HN 0.468 nan 8.150 nan 0.000 0.450 291 I N -1.138 119.298 120.570 -0.224 0.000 2.333 291 I HA -0.135 4.045 4.170 0.017 0.000 0.246 291 I C 2.536 178.360 176.117 -0.489 0.000 1.106 291 I CA 1.187 62.207 61.300 -0.466 0.000 1.411 291 I CB -0.146 37.593 38.000 -0.435 0.000 1.082 291 I HN 0.241 nan 8.210 nan 0.000 0.420 292 R N 1.998 122.318 120.500 -0.299 0.000 2.103 292 R HA -0.133 4.217 4.340 0.017 0.000 0.242 292 R C 1.940 178.131 176.300 -0.181 0.000 1.142 292 R CA 2.051 58.016 56.100 -0.225 0.000 0.960 292 R CB -0.664 29.540 30.300 -0.160 0.000 0.858 292 R HN 0.349 nan 8.270 nan 0.000 0.439 293 A N -0.397 122.333 122.820 -0.149 0.000 2.238 293 A HA 0.058 4.388 4.320 0.017 0.000 0.208 293 A C 1.629 179.162 177.584 -0.084 0.000 1.177 293 A CA 0.805 52.785 52.037 -0.094 0.000 0.804 293 A CB -0.422 18.541 19.000 -0.061 0.000 0.823 293 A HN 0.450 nan 8.150 nan 0.000 0.482 294 N N -0.664 117.949 118.700 -0.146 0.000 2.652 294 N HA 0.025 4.775 4.740 0.017 0.000 0.226 294 N C 1.052 176.555 175.510 -0.012 0.000 1.023 294 N CA 1.634 54.641 53.050 -0.072 0.000 1.126 294 N CB -0.047 38.408 38.487 -0.053 0.000 1.476 294 N HN 0.462 nan 8.380 nan 0.000 0.537 295 Y N -1.889 118.409 120.300 -0.002 0.000 2.527 295 Y HA 0.580 5.140 4.550 0.018 0.000 0.247 295 Y C 1.282 177.180 175.900 -0.002 0.000 1.138 295 Y CA 0.347 58.449 58.100 0.002 0.000 1.228 295 Y CB 0.038 38.503 38.460 0.007 0.000 1.252 295 Y HN 0.099 nan 8.280 nan 0.000 0.531 296 S N 0.942 116.479 115.700 -0.272 0.000 1.402 296 S HA -0.289 4.191 4.470 0.017 0.000 0.247 296 S C -0.208 174.302 174.600 -0.151 0.000 0.661 296 S CA 1.757 59.849 58.200 -0.181 0.000 1.198 296 S CB -1.876 61.280 63.200 -0.074 0.000 1.282 296 S HN 0.996 nan 8.310 nan 0.000 0.501 297 N N 1.516 120.253 118.700 0.060 0.000 2.484 297 N HA 0.708 5.458 4.740 0.017 0.000 0.269 297 N C -3.275 172.437 175.510 0.338 0.000 1.237 297 N CA -1.270 51.865 53.050 0.143 0.000 0.838 297 N CB 1.670 40.214 38.487 0.094 0.000 1.593 297 N HN 0.323 nan 8.380 nan 0.000 0.485 298 P HA 0.348 nan 4.420 nan 0.000 0.279 298 P C -2.634 174.676 177.300 0.017 0.000 1.252 298 P CA -1.290 61.888 63.100 0.129 0.000 0.811 298 P CB 0.140 31.884 31.700 0.074 0.000 1.035 299 P HA 0.074 nan 4.420 nan 0.000 0.271 299 P C 0.439 177.681 177.300 -0.096 0.000 1.233 299 P CA 0.074 63.137 63.100 -0.061 0.000 0.764 299 P CB 0.572 32.224 31.700 -0.081 0.000 0.825 300 A N 3.496 126.278 122.820 -0.062 0.000 1.929 300 A HA -0.185 4.145 4.320 0.017 0.000 0.216 300 A C 2.228 179.754 177.584 -0.098 0.000 1.176 300 A CA 1.020 53.003 52.037 -0.091 0.000 0.628 300 A CB -1.508 17.462 19.000 -0.048 0.000 0.816 300 A HN 0.713 nan 8.150 nan 0.000 0.444 301 H N -0.169 118.824 119.070 -0.129 0.000 2.265 301 H HA -0.194 4.359 4.556 -0.004 0.000 0.293 301 H C 2.331 177.565 175.328 -0.156 0.000 1.089 301 H CA 2.122 58.098 56.048 -0.120 0.000 1.244 301 H CB -0.377 29.333 29.762 -0.088 0.000 1.355 301 H HN 0.436 nan 8.280 nan 0.000 0.485 302 G N -0.129 108.553 108.800 -0.197 0.000 2.421 302 G HA2 -0.226 3.744 3.960 0.017 0.000 0.216 302 G HA3 -0.226 3.744 3.960 0.017 0.000 0.216 302 G C 1.920 176.572 174.900 -0.414 0.000 1.171 302 G CA 1.143 46.071 45.100 -0.287 0.000 0.775 302 G HN 0.571 nan 8.290 nan 0.000 0.543 303 A N 0.270 122.802 122.820 -0.480 0.000 1.969 303 A HA 0.048 4.378 4.320 0.017 0.000 0.218 303 A C 2.599 179.898 177.584 -0.474 0.000 1.169 303 A CA 2.170 53.761 52.037 -0.745 0.000 0.635 303 A CB -0.628 17.691 19.000 -1.136 0.000 0.810 303 A HN 0.378 nan 8.150 nan 0.000 0.445 304 S N -0.727 114.756 115.700 -0.362 0.000 2.368 304 S HA -0.109 4.371 4.470 0.017 0.000 0.224 304 S C 1.920 176.365 174.600 -0.258 0.000 1.029 304 S CA 1.446 59.499 58.200 -0.244 0.000 0.988 304 S CB -0.401 62.686 63.200 -0.188 0.000 0.838 304 S HN 0.305 nan 8.310 nan 0.000 0.462 305 V N 1.420 121.119 119.914 -0.360 0.000 2.287 305 V HA -0.140 3.990 4.120 0.017 0.000 0.248 305 V C 2.409 178.278 176.094 -0.375 0.000 1.053 305 V CA 1.845 63.944 62.300 -0.334 0.000 1.027 305 V CB -0.679 30.922 31.823 -0.371 0.000 0.646 305 V HN 0.397 nan 8.190 nan 0.000 0.447 306 V N 0.186 119.767 119.914 -0.554 0.000 2.343 306 V HA -0.254 3.876 4.120 0.017 0.000 0.247 306 V C 2.652 178.456 176.094 -0.482 0.000 1.051 306 V CA 2.022 63.819 62.300 -0.838 0.000 1.036 306 V CB -1.086 30.034 31.823 -1.172 0.000 0.654 306 V HN 0.569 nan 8.190 nan 0.000 0.451 307 A N -0.040 122.633 122.820 -0.245 0.000 1.898 307 A HA -0.226 4.104 4.320 0.017 0.000 0.216 307 A C 2.521 180.018 177.584 -0.145 0.000 1.181 307 A CA 2.404 54.358 52.037 -0.138 0.000 0.620 307 A CB -0.902 18.084 19.000 -0.024 0.000 0.819 307 A HN 0.549 nan 8.150 nan 0.000 0.442 308 T N -1.152 113.312 114.554 -0.150 0.000 2.857 308 T HA -0.056 4.304 4.350 0.017 0.000 0.266 308 T C 1.825 176.424 174.700 -0.169 0.000 1.048 308 T CA 1.428 63.436 62.100 -0.154 0.000 1.139 308 T CB -0.462 68.321 68.868 -0.142 0.000 0.874 308 T HN 0.339 nan 8.240 nan 0.000 0.455 309 I N 0.394 120.868 120.570 -0.160 0.000 2.113 309 I HA -0.079 4.101 4.170 0.017 0.000 0.238 309 I C 2.354 178.425 176.117 -0.077 0.000 1.070 309 I CA 0.926 62.167 61.300 -0.099 0.000 1.332 309 I CB -0.342 37.628 38.000 -0.050 0.000 1.044 309 I HN 0.240 nan 8.210 nan 0.000 0.402 310 L N 0.720 121.867 121.223 -0.126 0.000 2.261 310 L HA -0.182 4.168 4.340 0.017 0.000 0.216 310 L C 2.614 179.448 176.870 -0.061 0.000 1.114 310 L CA 1.960 56.748 54.840 -0.087 0.000 0.777 310 L CB -0.977 40.985 42.059 -0.162 0.000 0.910 310 L HN 0.362 nan 8.230 nan 0.000 0.440 311 S N -2.216 113.434 115.700 -0.084 0.000 2.524 311 S HA 0.046 4.526 4.470 0.017 0.000 0.216 311 S C 0.959 175.520 174.600 -0.066 0.000 0.987 311 S CA -0.265 57.894 58.200 -0.068 0.000 0.909 311 S CB -0.282 62.875 63.200 -0.072 0.000 0.781 311 S HN 0.426 nan 8.310 nan 0.000 0.521 312 N N 1.760 120.414 118.700 -0.078 0.000 2.444 312 N HA 0.198 4.948 4.740 0.017 0.000 0.262 312 N C -0.291 175.196 175.510 -0.038 0.000 0.974 312 N CA -0.199 52.803 53.050 -0.079 0.000 0.933 312 N CB 1.360 39.764 38.487 -0.137 0.000 1.137 312 N HN -0.031 nan 8.380 nan 0.000 0.498 313 D N 3.060 123.444 120.400 -0.027 0.000 2.133 313 D HA -0.179 4.471 4.640 0.017 0.000 0.195 313 D C 1.481 177.778 176.300 -0.004 0.000 0.997 313 D CA 1.481 55.476 54.000 -0.009 0.000 0.840 313 D CB -0.011 40.782 40.800 -0.011 0.000 0.947 313 D HN 0.716 nan 8.370 nan 0.000 0.452 314 A N 0.813 123.624 122.820 -0.016 0.000 1.845 314 A HA -0.156 4.175 4.320 0.017 0.000 0.215 314 A C 2.181 179.765 177.584 0.001 0.000 1.195 314 A CA 1.009 53.039 52.037 -0.011 0.000 0.616 314 A CB -0.747 18.241 19.000 -0.020 0.000 0.832 314 A HN 0.139 nan 8.150 nan 0.000 0.443 315 L N -0.297 120.922 121.223 -0.006 0.000 2.083 315 L HA -0.083 4.267 4.340 0.017 0.000 0.209 315 L C 2.550 179.472 176.870 0.086 0.000 1.083 315 L CA 1.894 56.745 54.840 0.018 0.000 0.752 315 L CB -0.862 41.181 42.059 -0.026 0.000 0.899 315 L HN 0.467 nan 8.230 nan 0.000 0.433 316 R N -0.797 119.756 120.500 0.089 0.000 2.115 316 R HA -0.098 4.252 4.340 0.017 0.000 0.230 316 R C 2.083 178.477 176.300 0.156 0.000 1.111 316 R CA 1.125 57.342 56.100 0.195 0.000 0.976 316 R CB -0.005 30.384 30.300 0.149 0.000 0.870 316 R HN 0.350 nan 8.270 nan 0.000 0.445 317 A N 0.957 123.812 122.820 0.057 0.000 1.929 317 A HA -0.074 4.256 4.320 0.017 0.000 0.216 317 A C 2.077 179.645 177.584 -0.026 0.000 1.176 317 A CA 0.955 52.990 52.037 -0.004 0.000 0.628 317 A CB -0.299 18.693 19.000 -0.013 0.000 0.816 317 A HN 0.293 nan 8.150 nan 0.000 0.444 318 I N -2.301 118.276 120.570 0.013 0.000 2.252 318 I HA -0.227 3.953 4.170 0.017 0.000 0.245 318 I C 2.413 178.526 176.117 -0.006 0.000 1.102 318 I CA 1.380 62.681 61.300 0.001 0.000 1.385 318 I CB -0.381 37.635 38.000 0.026 0.000 1.064 318 I HN 0.713 nan 8.210 nan 0.000 0.414 319 W N 2.578 123.804 121.300 -0.124 0.000 2.332 319 W HA -0.210 4.461 4.660 0.018 0.000 0.321 319 W C 2.367 178.737 176.519 -0.249 0.000 1.219 319 W CA 1.594 58.816 57.345 -0.207 0.000 1.277 319 W CB -0.491 28.818 29.460 -0.251 0.000 1.161 319 W HN 0.054 nan 8.180 nan 0.000 0.476 320 E N -0.303 119.497 120.200 -0.667 0.000 2.130 320 E HA -0.350 4.011 4.350 0.017 0.000 0.196 320 E C 1.998 178.248 176.600 -0.584 0.000 0.998 320 E CA 1.769 57.643 56.400 -0.876 0.000 0.806 320 E CB -0.378 29.024 29.700 -0.497 0.000 0.738 320 E HN 0.271 nan 8.360 nan 0.000 0.459 321 Q N 1.191 120.779 119.800 -0.353 0.000 2.079 321 Q HA -0.162 4.188 4.340 0.017 0.000 0.200 321 Q C 1.585 177.425 176.000 -0.265 0.000 0.974 321 Q CA 1.569 57.222 55.803 -0.250 0.000 0.840 321 Q CB 0.022 28.671 28.738 -0.148 0.000 0.898 321 Q HN 0.290 nan 8.270 nan 0.000 0.430 322 E N -0.468 119.567 120.200 -0.275 0.000 2.153 322 E HA -0.173 4.187 4.350 0.017 0.000 0.194 322 E C 1.796 178.186 176.600 -0.350 0.000 0.988 322 E CA 0.964 57.224 56.400 -0.233 0.000 0.811 322 E CB -0.138 29.477 29.700 -0.141 0.000 0.746 322 E HN 0.267 nan 8.360 nan 0.000 0.466 323 L N 1.082 121.961 121.223 -0.573 0.000 2.072 323 L HA -0.129 4.221 4.340 0.017 0.000 0.205 323 L C 2.601 179.151 176.870 -0.535 0.000 1.079 323 L CA 2.252 56.681 54.840 -0.684 0.000 0.752 323 L CB -0.838 40.608 42.059 -1.022 0.000 0.906 323 L HN 0.161 nan 8.230 nan 0.000 0.436 324 T N -3.974 110.320 114.554 -0.432 0.000 2.867 324 T HA -0.162 4.198 4.350 0.017 0.000 0.268 324 T C 1.674 176.252 174.700 -0.205 0.000 1.057 324 T CA 1.324 63.247 62.100 -0.294 0.000 1.136 324 T CB -0.574 68.154 68.868 -0.234 0.000 0.874 324 T HN 0.301 nan 8.240 nan 0.000 0.466 325 D N 1.033 121.318 120.400 -0.191 0.000 2.117 325 D HA -0.005 4.645 4.640 0.017 0.000 0.197 325 D C 2.121 178.376 176.300 -0.074 0.000 0.987 325 D CA 1.191 55.128 54.000 -0.105 0.000 0.829 325 D CB -0.375 40.375 40.800 -0.083 0.000 0.961 325 D HN 0.447 nan 8.370 nan 0.000 0.460 326 M N -0.146 119.349 119.600 -0.175 0.000 2.086 326 M HA -0.139 4.352 4.480 0.017 0.000 0.261 326 M C 2.337 178.633 176.300 -0.007 0.000 1.067 326 M CA 1.236 56.415 55.300 -0.201 0.000 1.116 326 M CB -0.112 32.166 32.600 -0.536 0.000 1.348 326 M HN -0.104 nan 8.290 nan 0.000 0.407 327 R N 0.342 120.779 120.500 -0.105 0.000 2.083 327 R HA -0.210 4.140 4.340 0.017 0.000 0.237 327 R C 2.096 178.417 176.300 0.036 0.000 1.137 327 R CA 1.958 58.058 56.100 0.001 0.000 0.951 327 R CB -0.204 30.024 30.300 -0.119 0.000 0.851 327 R HN 0.452 nan 8.270 nan 0.000 0.434 328 Q N -0.410 119.387 119.800 -0.005 0.000 2.124 328 Q HA -0.194 4.156 4.340 0.017 0.000 0.202 328 Q C 2.226 178.254 176.000 0.046 0.000 0.977 328 Q CA 1.611 57.421 55.803 0.012 0.000 0.850 328 Q CB -0.107 28.624 28.738 -0.011 0.000 0.901 328 Q HN 0.304 nan 8.270 nan 0.000 0.429 329 R N 0.555 121.104 120.500 0.080 0.000 2.092 329 R HA -0.124 4.226 4.340 0.017 0.000 0.231 329 R C 2.036 178.398 176.300 0.103 0.000 1.119 329 R CA 1.088 57.253 56.100 0.108 0.000 0.970 329 R CB -0.127 30.284 30.300 0.186 0.000 0.864 329 R HN 0.242 nan 8.270 nan 0.000 0.440 330 I N 0.809 121.460 120.570 0.136 0.000 2.226 330 I HA -0.286 3.894 4.170 0.017 0.000 0.245 330 I C 2.358 178.508 176.117 0.055 0.000 1.100 330 I CA 1.426 62.782 61.300 0.093 0.000 1.374 330 I CB -0.201 37.868 38.000 0.115 0.000 1.057 330 I HN 0.277 nan 8.210 nan 0.000 0.413 331 Q N 0.030 119.866 119.800 0.060 0.000 2.167 331 Q HA -0.200 4.150 4.340 0.017 0.000 0.202 331 Q C 2.307 178.332 176.000 0.041 0.000 0.970 331 Q CA 1.161 56.993 55.803 0.048 0.000 0.855 331 Q CB -0.057 28.707 28.738 0.044 0.000 0.911 331 Q HN 0.282 nan 8.270 nan 0.000 0.438 332 R N -0.009 120.514 120.500 0.039 0.000 2.075 332 R HA -0.015 4.335 4.340 0.017 0.000 0.232 332 R C 2.052 178.372 176.300 0.034 0.000 1.126 332 R CA 1.297 57.416 56.100 0.032 0.000 0.963 332 R CB -0.169 30.149 30.300 0.030 0.000 0.858 332 R HN 0.233 nan 8.270 nan 0.000 0.435 333 M N -0.058 119.560 119.600 0.029 0.000 2.229 333 M HA -0.055 4.435 4.480 0.017 0.000 0.264 333 M C 1.935 178.269 176.300 0.057 0.000 1.063 333 M CA 1.451 56.764 55.300 0.022 0.000 1.114 333 M CB -0.671 31.914 32.600 -0.025 0.000 1.387 333 M HN 0.086 nan 8.290 nan 0.000 0.420 334 R N -0.129 120.404 120.500 0.056 0.000 2.081 334 R HA -0.199 4.151 4.340 0.017 0.000 0.235 334 R C 2.297 178.662 176.300 0.109 0.000 1.131 334 R CA 1.484 57.643 56.100 0.098 0.000 0.960 334 R CB -0.304 30.040 30.300 0.074 0.000 0.856 334 R HN 0.304 nan 8.270 nan 0.000 0.436 335 Q N 0.961 120.801 119.800 0.066 0.000 2.046 335 Q HA -0.123 4.227 4.340 0.017 0.000 0.200 335 Q C 1.901 177.922 176.000 0.036 0.000 0.975 335 Q CA 1.328 57.155 55.803 0.040 0.000 0.836 335 Q CB -0.308 28.446 28.738 0.028 0.000 0.896 335 Q HN 0.222 nan 8.270 nan 0.000 0.428 336 L N -0.059 121.194 121.223 0.050 0.000 2.131 336 L HA -0.035 4.315 4.340 0.017 0.000 0.210 336 L C 2.063 178.976 176.870 0.072 0.000 1.092 336 L CA 1.607 56.473 54.840 0.044 0.000 0.759 336 L CB -0.677 41.407 42.059 0.042 0.000 0.903 336 L HN 0.435 nan 8.230 nan 0.000 0.435 337 F N -1.184 118.721 119.950 -0.074 0.000 2.075 337 F HA -0.240 4.298 4.527 0.018 0.000 0.297 337 F C 2.182 177.899 175.800 -0.139 0.000 1.113 337 F CA 1.853 59.786 58.000 -0.113 0.000 1.218 337 F CB -0.118 38.812 39.000 -0.117 0.000 0.984 337 F HN -0.114 nan 8.300 nan 0.000 0.472 338 V N 1.112 120.905 119.914 -0.202 0.000 2.332 338 V HA -0.358 3.772 4.120 0.017 0.000 0.248 338 V C 2.014 177.980 176.094 -0.212 0.000 1.055 338 V CA 2.159 64.286 62.300 -0.288 0.000 1.038 338 V CB -0.907 30.837 31.823 -0.130 0.000 0.651 338 V HN 0.394 nan 8.190 nan 0.000 0.450 339 N N 0.232 118.860 118.700 -0.119 0.000 2.080 339 N HA -0.130 4.620 4.740 0.017 0.000 0.189 339 N C 1.968 177.416 175.510 -0.103 0.000 1.036 339 N CA 2.067 55.066 53.050 -0.085 0.000 0.846 339 N CB -0.928 37.533 38.487 -0.043 0.000 1.015 339 N HN 0.449 nan 8.380 nan 0.000 0.423 340 T N 2.237 116.730 114.554 -0.102 0.000 2.720 340 T HA -0.063 4.297 4.350 0.017 0.000 0.268 340 T C 2.119 176.725 174.700 -0.158 0.000 1.037 340 T CA 0.691 62.733 62.100 -0.097 0.000 1.144 340 T CB -0.341 68.495 68.868 -0.053 0.000 0.864 340 T HN 0.135 nan 8.240 nan 0.000 0.444 341 L N 0.392 121.443 121.223 -0.286 0.000 2.012 341 L HA -0.188 4.162 4.340 0.017 0.000 0.210 341 L C 2.958 179.716 176.870 -0.186 0.000 1.073 341 L CA 1.340 55.968 54.840 -0.352 0.000 0.748 341 L CB -0.439 41.217 42.059 -0.673 0.000 0.891 341 L HN 0.190 nan 8.230 nan 0.000 0.431 342 Q N 0.128 119.843 119.800 -0.142 0.000 2.050 342 Q HA -0.246 4.104 4.340 0.017 0.000 0.202 342 Q C 1.987 177.953 176.000 -0.057 0.000 0.980 342 Q CA 2.043 57.803 55.803 -0.072 0.000 0.840 342 Q CB -0.252 28.451 28.738 -0.057 0.000 0.898 342 Q HN 0.645 nan 8.270 nan 0.000 0.424 343 E N -0.746 119.417 120.200 -0.061 0.000 2.418 343 E HA -0.139 4.221 4.350 0.017 0.000 0.197 343 E C 1.177 177.749 176.600 -0.045 0.000 1.026 343 E CA 0.796 57.169 56.400 -0.044 0.000 0.862 343 E CB 0.026 29.703 29.700 -0.038 0.000 0.799 343 E HN -0.037 nan 8.360 nan 0.000 0.518 344 K N -0.051 120.311 120.400 -0.063 0.000 2.444 344 K HA 0.142 4.472 4.320 0.017 0.000 0.193 344 K C 0.876 177.447 176.600 -0.049 0.000 1.024 344 K CA 0.757 57.007 56.287 -0.061 0.000 1.077 344 K CB 0.598 33.047 32.500 -0.086 0.000 0.833 344 K HN 0.356 nan 8.250 nan 0.000 0.517 345 G N -0.804 107.972 108.800 -0.040 0.000 2.154 345 G HA2 -0.193 3.777 3.960 0.017 0.000 0.186 345 G HA3 -0.193 3.777 3.960 0.017 0.000 0.186 345 G C 0.115 175.010 174.900 -0.009 0.000 1.000 345 G CA -0.212 44.875 45.100 -0.022 0.000 0.664 345 G HN 0.434 nan 8.290 nan 0.000 0.513 346 A N 0.540 123.352 122.820 -0.012 0.000 2.567 346 A HA 0.433 4.763 4.320 0.017 0.000 0.240 346 A C 1.493 179.111 177.584 0.055 0.000 1.053 346 A CA 1.241 53.305 52.037 0.044 0.000 0.755 346 A CB 0.170 19.215 19.000 0.075 0.000 0.978 346 A HN 1.002 nan 8.150 nan 0.000 0.507 347 N N 2.773 121.514 118.700 0.068 0.000 2.305 347 N HA -0.040 4.710 4.740 0.017 0.000 0.179 347 N C 0.596 176.117 175.510 0.019 0.000 1.019 347 N CA 0.704 53.776 53.050 0.036 0.000 0.869 347 N CB -0.218 38.288 38.487 0.031 0.000 1.000 347 N HN 0.674 nan 8.380 nan 0.000 0.431 348 R N 0.449 120.958 120.500 0.015 0.000 2.615 348 R HA 0.156 4.506 4.340 0.017 0.000 0.270 348 R C -0.891 175.307 176.300 -0.170 0.000 1.081 348 R CA -0.451 55.576 56.100 -0.122 0.000 1.154 348 R CB 0.371 30.502 30.300 -0.283 0.000 1.063 348 R HN 0.199 nan 8.270 nan 0.000 0.519 349 D N 0.937 121.208 120.400 -0.215 0.000 2.274 349 D HA 0.097 4.747 4.640 0.017 0.000 0.239 349 D C -0.634 175.448 176.300 -0.362 0.000 1.104 349 D CA -0.248 53.657 54.000 -0.160 0.000 0.840 349 D CB 0.433 41.196 40.800 -0.061 0.000 1.100 349 D HN 0.318 nan 8.370 nan 0.000 0.477 350 F N 1.817 121.583 119.950 -0.307 0.000 2.730 350 F HA 0.091 4.628 4.527 0.017 0.000 0.295 350 F C 2.232 177.602 175.800 -0.717 0.000 1.143 350 F CA -0.273 57.302 58.000 -0.708 0.000 1.367 350 F CB 0.058 38.685 39.000 -0.622 0.000 0.970 350 F HN 0.377 nan 8.300 nan 0.000 0.514 351 S N 0.195 115.733 115.700 -0.269 0.000 2.419 351 S HA -0.284 4.196 4.470 0.017 0.000 0.233 351 S C 2.018 176.546 174.600 -0.120 0.000 1.016 351 S CA 1.182 59.298 58.200 -0.141 0.000 0.974 351 S CB -1.309 61.870 63.200 -0.035 0.000 0.786 351 S HN 0.570 nan 8.310 nan 0.000 0.492 352 F N 1.552 121.531 119.950 0.049 0.000 2.307 352 F HA 0.034 4.571 4.527 0.017 0.000 0.301 352 F C 1.862 177.728 175.800 0.109 0.000 1.076 352 F CA 0.239 58.280 58.000 0.069 0.000 1.383 352 F CB -0.755 38.280 39.000 0.057 0.000 1.055 352 F HN 0.085 nan 8.300 nan 0.000 0.526 353 I N 1.903 122.352 120.570 -0.202 0.000 2.208 353 I HA -0.274 3.906 4.170 0.017 0.000 0.245 353 I C 2.478 178.662 176.117 0.112 0.000 1.097 353 I CA 1.497 62.831 61.300 0.058 0.000 1.363 353 I CB -1.102 36.906 38.000 0.013 0.000 1.051 353 I HN 0.316 nan 8.210 nan 0.000 0.413 354 I N 0.274 120.877 120.570 0.055 0.000 2.756 354 I HA -0.234 3.946 4.170 0.017 0.000 0.262 354 I C 2.103 178.275 176.117 0.091 0.000 1.225 354 I CA 0.874 62.213 61.300 0.066 0.000 1.472 354 I CB -0.385 37.636 38.000 0.036 0.000 1.094 354 I HN 0.088 nan 8.210 nan 0.000 0.454 355 K N 0.654 121.129 120.400 0.126 0.000 2.365 355 K HA 0.064 4.395 4.320 0.017 0.000 0.197 355 K C 0.506 177.192 176.600 0.143 0.000 1.042 355 K CA 0.402 56.769 56.287 0.132 0.000 0.987 355 K CB 0.119 32.713 32.500 0.157 0.000 0.779 355 K HN 0.336 nan 8.250 nan 0.000 0.484 356 Q N 0.127 120.029 119.800 0.170 0.000 2.260 356 Q HA 0.240 4.590 4.340 0.017 0.000 0.242 356 Q C -0.851 175.224 176.000 0.124 0.000 0.932 356 Q CA -0.336 55.566 55.803 0.166 0.000 0.891 356 Q CB 1.272 30.139 28.738 0.215 0.000 1.222 356 Q HN 0.126 nan 8.270 nan 0.000 0.453 357 N N -0.102 118.670 118.700 0.120 0.000 2.405 357 N HA 0.636 5.386 4.740 0.017 0.000 0.299 357 N C -0.235 175.297 175.510 0.036 0.000 1.075 357 N CA 0.016 53.125 53.050 0.099 0.000 0.884 357 N CB 1.739 40.309 38.487 0.137 0.000 1.194 357 N HN 0.775 nan 8.380 nan 0.000 0.491 358 G N 0.613 109.414 108.800 0.001 0.000 2.568 358 G HA2 -0.284 3.686 3.960 0.017 0.000 0.222 358 G HA3 -0.284 3.686 3.960 0.017 0.000 0.222 358 G C 0.502 175.229 174.900 -0.289 0.000 1.321 358 G CA -0.200 44.797 45.100 -0.172 0.000 0.893 358 G HN 0.477 nan 8.290 nan 0.000 0.569 359 M N -0.374 118.841 119.600 -0.641 0.000 2.334 359 M HA 0.268 4.758 4.480 0.017 0.000 0.266 359 M C 0.609 176.508 176.300 -0.669 0.000 1.082 359 M CA 1.078 55.939 55.300 -0.733 0.000 1.141 359 M CB 0.007 31.943 32.600 -1.108 0.000 1.380 359 M HN 0.250 nan 8.290 nan 0.000 0.440 360 F N -0.063 119.781 119.950 -0.176 0.000 2.403 360 F HA 0.465 5.002 4.527 0.017 0.000 0.326 360 F C 0.279 176.076 175.800 -0.005 0.000 1.081 360 F CA -0.922 57.027 58.000 -0.086 0.000 1.041 360 F CB 1.132 40.078 39.000 -0.089 0.000 1.234 360 F HN -0.248 nan 8.300 nan 0.000 0.503 361 S N 0.967 116.842 115.700 0.292 0.000 2.543 361 S HA 0.413 4.893 4.470 0.017 0.000 0.273 361 S C -1.668 173.177 174.600 0.409 0.000 1.152 361 S CA -0.585 57.791 58.200 0.294 0.000 0.910 361 S CB 1.052 64.411 63.200 0.264 0.000 1.105 361 S HN 0.308 nan 8.310 nan 0.000 0.465 362 F N 3.728 123.768 119.950 0.150 0.000 2.405 362 F HA 0.217 4.754 4.527 0.017 0.000 0.358 362 F C 1.897 177.851 175.800 0.256 0.000 1.151 362 F CA -1.322 56.734 58.000 0.093 0.000 1.161 362 F CB 0.551 39.471 39.000 -0.133 0.000 1.245 362 F HN 0.710 nan 8.300 nan 0.000 0.545 363 S N 1.973 117.884 115.700 0.352 0.000 2.493 363 S HA -0.021 4.459 4.470 0.017 0.000 0.243 363 S C 1.551 176.423 174.600 0.454 0.000 0.991 363 S CA 0.522 58.977 58.200 0.424 0.000 0.957 363 S CB -0.750 62.625 63.200 0.292 0.000 0.756 363 S HN 1.232 nan 8.310 nan 0.000 0.521 364 G N 0.471 109.432 108.800 0.268 0.000 2.256 364 G HA2 -0.168 3.803 3.960 0.017 0.000 0.272 364 G HA3 -0.168 3.803 3.960 0.017 0.000 0.272 364 G C -0.457 174.563 174.900 0.201 0.000 1.076 364 G CA 0.158 45.417 45.100 0.265 0.000 0.882 364 G HN 0.464 nan 8.290 nan 0.000 0.497 365 L N 0.820 122.099 121.223 0.094 0.000 2.334 365 L HA 0.821 5.171 4.340 0.017 0.000 0.273 365 L C 1.215 178.088 176.870 0.004 0.000 1.013 365 L CA -0.046 54.841 54.840 0.078 0.000 0.816 365 L CB 1.817 43.922 42.059 0.076 0.000 1.278 365 L HN 0.462 nan 8.230 nan 0.000 0.431 366 T N -1.199 113.368 114.554 0.021 0.000 2.874 366 T HA 0.272 4.632 4.350 0.017 0.000 0.281 366 T C 1.113 175.805 174.700 -0.014 0.000 0.994 366 T CA -0.699 61.400 62.100 -0.001 0.000 1.015 366 T CB 0.804 69.682 68.868 0.016 0.000 1.028 366 T HN 0.457 nan 8.240 nan 0.000 0.523 367 K N 1.115 121.502 120.400 -0.021 0.000 2.113 367 K HA -0.149 4.182 4.320 0.017 0.000 0.208 367 K C 1.962 178.556 176.600 -0.011 0.000 1.047 367 K CA 1.635 57.909 56.287 -0.022 0.000 0.928 367 K CB -0.417 32.073 32.500 -0.017 0.000 0.716 367 K HN 0.702 nan 8.250 nan 0.000 0.446 368 E N 0.915 121.115 120.200 -0.000 0.000 2.152 368 E HA -0.085 4.275 4.350 0.017 0.000 0.192 368 E C 2.139 178.749 176.600 0.017 0.000 0.983 368 E CA 0.840 57.244 56.400 0.006 0.000 0.818 368 E CB -0.048 29.659 29.700 0.011 0.000 0.758 368 E HN 0.357 nan 8.360 nan 0.000 0.467 369 Q N 0.048 119.864 119.800 0.027 0.000 2.083 369 Q HA -0.095 4.255 4.340 0.017 0.000 0.198 369 Q C 2.429 178.455 176.000 0.043 0.000 0.969 369 Q CA 1.620 57.452 55.803 0.049 0.000 0.838 369 Q CB -0.149 28.626 28.738 0.062 0.000 0.900 369 Q HN 0.396 nan 8.270 nan 0.000 0.436 370 V N -1.103 118.821 119.914 0.017 0.000 2.427 370 V HA -0.193 3.937 4.120 0.017 0.000 0.248 370 V C 2.047 178.127 176.094 -0.024 0.000 1.051 370 V CA 1.317 63.617 62.300 0.000 0.000 1.048 370 V CB -0.544 31.268 31.823 -0.018 0.000 0.666 370 V HN 0.230 nan 8.190 nan 0.000 0.456 371 L N 0.456 121.665 121.223 -0.024 0.000 2.046 371 L HA -0.060 4.290 4.340 0.017 0.000 0.208 371 L C 2.886 179.734 176.870 -0.038 0.000 1.077 371 L CA 2.485 57.299 54.840 -0.043 0.000 0.747 371 L CB -0.573 41.469 42.059 -0.028 0.000 0.896 371 L HN 0.392 nan 8.230 nan 0.000 0.432 372 R N -0.883 119.617 120.500 0.001 0.000 2.092 372 R HA -0.106 4.244 4.340 0.017 0.000 0.231 372 R C 2.240 178.582 176.300 0.071 0.000 1.119 372 R CA 1.253 57.365 56.100 0.019 0.000 0.970 372 R CB -0.261 30.074 30.300 0.059 0.000 0.864 372 R HN 0.363 nan 8.270 nan 0.000 0.440 373 L N 0.427 121.724 121.223 0.124 0.000 2.083 373 L HA -0.160 4.190 4.340 0.017 0.000 0.209 373 L C 2.874 179.804 176.870 0.099 0.000 1.083 373 L CA 1.421 56.396 54.840 0.226 0.000 0.752 373 L CB -0.436 41.699 42.059 0.127 0.000 0.899 373 L HN 0.279 nan 8.230 nan 0.000 0.433 374 R N 0.900 121.353 120.500 -0.078 0.000 2.064 374 R HA -0.199 4.151 4.340 0.017 0.000 0.228 374 R C 2.157 178.349 176.300 -0.180 0.000 1.144 374 R CA 2.053 57.980 56.100 -0.288 0.000 0.932 374 R CB -0.283 29.749 30.300 -0.448 0.000 0.833 374 R HN 0.555 nan 8.270 nan 0.000 0.429 375 E N -0.371 119.748 120.200 -0.135 0.000 2.204 375 E HA -0.194 4.166 4.350 0.017 0.000 0.194 375 E C 1.736 178.256 176.600 -0.134 0.000 0.989 375 E CA 1.280 57.618 56.400 -0.103 0.000 0.824 375 E CB -0.078 29.571 29.700 -0.084 0.000 0.756 375 E HN 0.552 nan 8.360 nan 0.000 0.477 376 E N -0.279 119.792 120.200 -0.214 0.000 2.201 376 E HA 0.029 4.389 4.350 0.017 0.000 0.193 376 E C 1.055 177.299 176.600 -0.594 0.000 0.957 376 E CA 0.248 56.373 56.400 -0.458 0.000 0.858 376 E CB 0.164 29.455 29.700 -0.681 0.000 0.816 376 E HN 0.328 nan 8.360 nan 0.000 0.475 377 F N -0.879 119.077 119.950 0.009 0.000 2.704 377 F HA 0.357 4.894 4.527 0.017 0.000 0.304 377 F C 1.355 177.193 175.800 0.063 0.000 1.094 377 F CA 0.251 58.269 58.000 0.030 0.000 1.275 377 F CB 1.531 40.547 39.000 0.027 0.000 1.073 377 F HN 0.166 nan 8.300 nan 0.000 0.586 378 G N 1.241 110.159 108.800 0.197 0.000 2.143 378 G HA2 -0.257 3.713 3.960 0.017 0.000 0.248 378 G HA3 -0.257 3.713 3.960 0.017 0.000 0.248 378 G C -0.127 175.012 174.900 0.398 0.000 0.991 378 G CA 0.112 45.380 45.100 0.280 0.000 0.689 378 G HN 0.146 nan 8.290 nan 0.000 0.522 379 V N 0.603 120.681 119.914 0.273 0.000 2.407 379 V HA 0.537 4.667 4.120 0.017 0.000 0.278 379 V C 0.022 176.226 176.094 0.183 0.000 1.037 379 V CA -0.641 61.813 62.300 0.258 0.000 0.900 379 V CB 0.944 32.859 31.823 0.153 0.000 0.983 379 V HN 0.255 nan 8.190 nan 0.000 0.459 380 Y N 3.168 123.524 120.300 0.094 0.000 2.331 380 Y HA 0.723 5.284 4.550 0.018 0.000 0.338 380 Y C 0.409 176.306 175.900 -0.005 0.000 0.992 380 Y CA -0.432 57.704 58.100 0.060 0.000 1.121 380 Y CB 1.879 40.386 38.460 0.079 0.000 1.184 380 Y HN 0.741 nan 8.280 nan 0.000 0.469 381 A N 2.222 125.091 122.820 0.083 0.000 2.515 381 A HA 0.745 5.075 4.320 0.017 0.000 0.296 381 A C -1.272 176.336 177.584 0.039 0.000 1.094 381 A CA -0.791 51.274 52.037 0.047 0.000 0.718 381 A CB 0.927 19.943 19.000 0.027 0.000 1.307 381 A HN 0.448 nan 8.150 nan 0.000 0.408 382 V N 1.599 121.535 119.914 0.037 0.000 2.740 382 V HA 0.288 4.418 4.120 0.017 0.000 0.303 382 V C 1.867 177.965 176.094 0.006 0.000 1.054 382 V CA 0.777 63.094 62.300 0.029 0.000 1.106 382 V CB 1.029 32.871 31.823 0.032 0.000 0.957 382 V HN 1.349 nan 8.190 nan 0.000 0.486 383 A N 3.635 126.455 122.820 0.000 0.000 2.042 383 A HA -0.178 4.152 4.320 0.017 0.000 0.222 383 A C 2.287 179.845 177.584 -0.044 0.000 1.167 383 A CA 2.195 54.220 52.037 -0.019 0.000 0.649 383 A CB -0.621 18.373 19.000 -0.011 0.000 0.809 383 A HN 1.120 nan 8.150 nan 0.000 0.457 384 S N -2.313 113.368 115.700 -0.031 0.000 2.453 384 S HA 0.310 4.790 4.470 0.017 0.000 0.231 384 S C 1.552 175.913 174.600 -0.397 0.000 1.005 384 S CA 1.257 59.403 58.200 -0.091 0.000 0.949 384 S CB -0.260 63.030 63.200 0.151 0.000 0.774 384 S HN 1.914 nan 8.310 nan 0.000 0.510 385 G N 1.044 109.703 108.800 -0.234 0.000 2.201 385 G HA2 -0.234 3.736 3.960 0.017 0.000 0.212 385 G HA3 -0.234 3.736 3.960 0.017 0.000 0.212 385 G C 0.116 174.969 174.900 -0.078 0.000 0.994 385 G CA -0.132 44.811 45.100 -0.261 0.000 0.644 385 G HN 0.661 nan 8.290 nan 0.000 0.508 386 R N 0.469 121.035 120.500 0.111 0.000 2.538 386 R HA 0.448 4.798 4.340 0.017 0.000 0.282 386 R C -0.615 175.785 176.300 0.165 0.000 1.009 386 R CA 0.385 56.665 56.100 0.301 0.000 1.063 386 R CB 0.546 30.982 30.300 0.225 0.000 0.945 386 R HN 0.163 nan 8.270 nan 0.000 0.414 387 V N 4.534 124.564 119.914 0.193 0.000 2.789 387 V HA 0.215 4.345 4.120 0.017 0.000 0.311 387 V C -0.907 175.265 176.094 0.130 0.000 1.073 387 V CA -0.972 61.384 62.300 0.093 0.000 0.921 387 V CB 2.157 33.988 31.823 0.014 0.000 1.009 387 V HN 0.820 nan 8.190 nan 0.000 0.426 388 N N 3.965 122.689 118.700 0.040 0.000 2.457 388 N HA 0.240 4.990 4.740 0.017 0.000 0.250 388 N C 0.591 175.983 175.510 -0.196 0.000 0.982 388 N CA -0.149 52.872 53.050 -0.049 0.000 0.941 388 N CB 1.894 40.335 38.487 -0.077 0.000 1.120 388 N HN 0.368 nan 8.380 nan 0.000 0.505 389 V N 3.094 122.875 119.914 -0.221 0.000 2.626 389 V HA -0.138 3.992 4.120 0.017 0.000 0.252 389 V C 2.045 178.012 176.094 -0.212 0.000 1.067 389 V CA 1.954 64.111 62.300 -0.240 0.000 1.081 389 V CB -0.809 30.909 31.823 -0.175 0.000 0.686 389 V HN 0.773 nan 8.190 nan 0.000 0.468 390 A N 0.354 123.041 122.820 -0.222 0.000 2.235 390 A HA 0.212 4.542 4.320 0.017 0.000 0.208 390 A C 2.053 179.460 177.584 -0.294 0.000 1.172 390 A CA 1.025 52.924 52.037 -0.231 0.000 0.786 390 A CB -0.548 18.331 19.000 -0.201 0.000 0.804 390 A HN 0.529 nan 8.150 nan 0.000 0.479 391 G N -1.075 107.565 108.800 -0.267 0.000 3.088 391 G HA2 0.352 4.323 3.960 0.017 0.000 0.217 391 G HA3 0.352 4.323 3.960 0.017 0.000 0.217 391 G C 0.510 175.293 174.900 -0.194 0.000 1.159 391 G CA -0.289 44.657 45.100 -0.256 0.000 0.760 391 G HN 0.452 nan 8.290 nan 0.000 0.550 392 M N 1.419 120.906 119.600 -0.188 0.000 2.409 392 M HA 0.512 5.002 4.480 0.017 0.000 0.329 392 M C 0.150 176.388 176.300 -0.103 0.000 1.180 392 M CA -0.319 54.894 55.300 -0.144 0.000 1.053 392 M CB 1.957 34.451 32.600 -0.176 0.000 1.586 392 M HN 0.075 nan 8.290 nan 0.000 0.461 393 T N -2.037 112.479 114.554 -0.064 0.000 2.841 393 T HA 0.480 4.841 4.350 0.017 0.000 0.296 393 T C -2.661 172.027 174.700 -0.019 0.000 1.166 393 T CA -1.636 60.439 62.100 -0.042 0.000 1.007 393 T CB 1.753 70.598 68.868 -0.037 0.000 1.253 393 T HN 0.282 nan 8.240 nan 0.000 0.511 394 P HA 0.073 nan 4.420 nan 0.000 0.225 394 P C 0.296 177.596 177.300 0.001 0.000 1.148 394 P CA 0.861 63.961 63.100 0.000 0.000 0.779 394 P CB -0.029 31.672 31.700 0.003 0.000 0.780 395 D N -1.057 119.342 120.400 -0.001 0.000 2.213 395 D HA -0.098 4.552 4.640 0.017 0.000 0.205 395 D C 1.398 177.701 176.300 0.005 0.000 0.961 395 D CA 0.887 54.889 54.000 0.003 0.000 0.853 395 D CB -0.446 40.356 40.800 0.004 0.000 0.967 395 D HN 0.259 nan 8.370 nan 0.000 0.496 396 N N -0.248 118.452 118.700 0.001 0.000 2.205 396 N HA 0.028 4.778 4.740 0.017 0.000 0.201 396 N C 1.223 176.736 175.510 0.005 0.000 1.128 396 N CA 0.008 53.061 53.050 0.005 0.000 0.867 396 N CB -0.052 38.438 38.487 0.005 0.000 0.996 396 N HN -0.021 nan 8.380 nan 0.000 0.503 397 M N 1.351 120.955 119.600 0.006 0.000 2.065 397 M HA 0.050 4.540 4.480 0.017 0.000 0.259 397 M C 1.944 178.258 176.300 0.023 0.000 1.069 397 M CA 1.719 57.033 55.300 0.025 0.000 1.110 397 M CB -0.834 31.784 32.600 0.030 0.000 1.328 397 M HN 0.284 nan 8.290 nan 0.000 0.405 398 A N 0.007 122.831 122.820 0.008 0.000 1.865 398 A HA -0.129 4.201 4.320 0.017 0.000 0.217 398 A C -0.102 177.474 177.584 -0.014 0.000 1.191 398 A CA 2.038 54.072 52.037 -0.006 0.000 0.623 398 A CB -2.334 16.663 19.000 -0.006 0.000 0.826 398 A HN 0.467 nan 8.150 nan 0.000 0.444 399 P HA -0.165 nan 4.420 nan 0.000 0.216 399 P C 1.791 179.077 177.300 -0.024 0.000 1.153 399 P CA 0.997 64.096 63.100 -0.003 0.000 0.858 399 P CB -0.113 31.601 31.700 0.024 0.000 0.789 400 L N -0.904 120.316 121.223 -0.005 0.000 1.994 400 L HA -0.210 4.140 4.340 0.017 0.000 0.208 400 L C 1.956 178.812 176.870 -0.024 0.000 1.071 400 L CA 1.949 56.789 54.840 -0.001 0.000 0.745 400 L CB -0.852 41.221 42.059 0.023 0.000 0.892 400 L HN 0.031 nan 8.230 nan 0.000 0.431 401 C N 0.183 119.477 119.300 -0.010 0.000 2.422 401 C HA -0.116 4.354 4.460 0.017 0.000 0.279 401 C C 2.510 177.418 174.990 -0.136 0.000 1.305 401 C CA 0.673 59.646 59.018 -0.074 0.000 1.757 401 C CB -0.952 26.732 27.740 -0.093 0.000 1.962 401 C HN 0.571 nan 8.230 nan 0.000 0.499 402 E N 1.058 121.179 120.200 -0.131 0.000 2.072 402 E HA -0.136 4.224 4.350 0.017 0.000 0.191 402 E C 2.419 178.829 176.600 -0.318 0.000 0.985 402 E CA 1.301 57.601 56.400 -0.166 0.000 0.801 402 E CB -0.242 29.389 29.700 -0.114 0.000 0.750 402 E HN 0.677 nan 8.360 nan 0.000 0.452 403 A N 1.577 124.137 122.820 -0.433 0.000 1.858 403 A HA -0.175 4.155 4.320 0.017 0.000 0.216 403 A C 2.203 179.446 177.584 -0.569 0.000 1.190 403 A CA 1.050 52.544 52.037 -0.906 0.000 0.617 403 A CB -0.675 17.927 19.000 -0.662 0.000 0.827 403 A HN 0.127 nan 8.150 nan 0.000 0.443 404 I N -0.358 120.051 120.570 -0.269 0.000 2.151 404 I HA -0.262 3.918 4.170 0.017 0.000 0.243 404 I C 2.388 178.433 176.117 -0.121 0.000 1.080 404 I CA 1.444 62.660 61.300 -0.140 0.000 1.339 404 I CB -0.345 37.594 38.000 -0.101 0.000 1.039 404 I HN 0.174 nan 8.210 nan 0.000 0.409 405 V N 0.963 120.787 119.914 -0.150 0.000 2.307 405 V HA -0.166 3.964 4.120 0.017 0.000 0.245 405 V C 1.674 177.727 176.094 -0.068 0.000 1.045 405 V CA 1.247 63.494 62.300 -0.087 0.000 1.024 405 V CB -0.921 30.847 31.823 -0.092 0.000 0.651 405 V HN 0.452 nan 8.190 nan 0.000 0.449 409 L N 0.000 121.261 121.223 0.063 0.000 2.949 409 L HA 0.000 4.350 4.340 0.017 0.000 0.249 409 L CA 0.000 54.889 54.840 0.081 0.000 0.813 409 L CB 0.000 42.117 42.059 0.097 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502