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 2xbk_1_A DATA FIRST_RESID 7 DATA SEQUENCE DLPCLNLEPP KMLKLSPLLR ALQDRGPIHR VRTPAGDEAW LVTRHAELKQ DATA SEQUENCE LLHDERIGRT HPDPPSAAQY VRSPFLDLLI SDADAESGRR QHAETRRLLT DATA SEQUENCE PLFSARRVLE MQPKVEEAAD TLLDAFIAQG PPGDLHGELT VPFALTVLCE DATA SEQUENCE VIGVPPQRRA ELTTLLAGIA KLDDREGAVR AQDDLFGYVA GLVEHKRAEP DATA SEQUENCE GPDIISRLND GELTEDRVAH LAMGLLFAGL DSVASIMDNG VVLLAAHPDQ DATA SEQUENCE RAAALADPDV MARAVEEVLR TARAGGSVLP PRYASEDMEF GGVTIRAGDL DATA SEQUENCE VLFDLGLPNF DERAFTGPEE FDAARTPNPH LTFGHGIWHC IGAPLARLEL DATA SEQUENCE RTMFTKLFTR LPELRPELPV EQLRLKEGQL SGGFAELRVV W 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.288 176.300 -0.020 0.000 2.045 7 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 7 D CB 0.000 40.795 40.800 -0.009 0.000 0.688 8 L N 0.964 122.168 121.223 -0.032 0.000 2.322 8 L HA 0.724 5.069 4.340 0.009 0.000 0.279 8 L C -1.920 174.930 176.870 -0.032 0.000 1.036 8 L CA -1.915 52.902 54.840 -0.038 0.000 0.807 8 L CB 1.729 43.748 42.059 -0.067 0.000 1.226 8 L HN 0.285 nan 8.230 nan 0.000 0.433 9 P HA -0.022 nan 4.420 nan 0.000 0.266 9 P C -0.862 176.423 177.300 -0.025 0.000 1.195 9 P CA -0.351 62.732 63.100 -0.029 0.000 0.768 9 P CB 0.550 32.225 31.700 -0.041 0.000 0.838 10 C N 5.179 124.465 119.300 -0.023 0.000 2.281 10 C HA 0.467 4.932 4.460 0.009 0.000 0.323 10 C C 0.200 175.183 174.990 -0.012 0.000 1.270 10 C CA -0.732 58.273 59.018 -0.022 0.000 1.559 10 C CB -1.418 26.305 27.740 -0.030 0.000 2.239 10 C HN 0.465 nan 8.230 nan 0.000 0.488 11 L N 5.706 126.932 121.223 0.005 0.000 2.466 11 L HA 0.444 4.790 4.340 0.009 0.000 0.257 11 L C 0.238 177.108 176.870 -0.000 0.000 1.189 11 L CA 0.067 54.928 54.840 0.034 0.000 0.813 11 L CB 0.636 42.768 42.059 0.123 0.000 1.118 11 L HN 0.887 nan 8.230 nan 0.000 0.471 12 N N -0.164 118.543 118.700 0.012 0.000 2.831 12 N HA 0.431 5.176 4.740 0.009 0.000 0.276 12 N C -0.723 174.781 175.510 -0.011 0.000 1.416 12 N CA -0.929 52.106 53.050 -0.025 0.000 0.799 12 N CB 0.984 39.459 38.487 -0.020 0.000 1.554 12 N HN 0.439 nan 8.380 nan 0.000 0.541 13 L N -0.623 120.579 121.223 -0.035 0.000 2.928 13 L HA 0.349 4.694 4.340 0.009 0.000 0.246 13 L C -0.243 176.621 176.870 -0.010 0.000 1.239 13 L CA -0.238 54.592 54.840 -0.016 0.000 1.035 13 L CB -0.584 41.445 42.059 -0.050 0.000 1.360 13 L HN 0.484 nan 8.230 nan 0.000 0.529 14 E N 1.506 121.701 120.200 -0.009 0.000 2.373 14 E HA 0.193 4.548 4.350 0.009 0.000 0.267 14 E C -2.096 174.494 176.600 -0.018 0.000 1.032 14 E CA -1.879 54.512 56.400 -0.014 0.000 0.889 14 E CB 0.373 30.065 29.700 -0.014 0.000 0.984 14 E HN 0.006 nan 8.360 nan 0.000 0.425 15 P HA 0.078 nan 4.420 nan 0.000 0.268 15 P C -2.378 174.900 177.300 -0.036 0.000 1.205 15 P CA -0.970 62.107 63.100 -0.038 0.000 0.771 15 P CB -0.145 31.536 31.700 -0.031 0.000 0.858 16 P HA 0.201 nan 4.420 nan 0.000 0.274 16 P C -0.427 176.843 177.300 -0.051 0.000 1.246 16 P CA -0.252 62.811 63.100 -0.062 0.000 0.795 16 P CB 1.085 32.734 31.700 -0.084 0.000 1.006 17 K N 0.477 120.837 120.400 -0.066 0.000 2.090 17 K HA 0.348 4.674 4.320 0.009 0.000 0.250 17 K C 0.585 177.149 176.600 -0.060 0.000 1.004 17 K CA -0.824 55.435 56.287 -0.046 0.000 0.919 17 K CB 0.561 33.031 32.500 -0.050 0.000 1.045 17 K HN 0.509 nan 8.250 nan 0.000 0.471 18 M N 3.043 122.631 119.600 -0.020 0.000 2.219 18 M HA 0.017 4.502 4.480 0.009 0.000 0.353 18 M C -0.219 176.071 176.300 -0.016 0.000 1.304 18 M CA 0.490 55.791 55.300 0.001 0.000 1.115 18 M CB -0.151 32.469 32.600 0.033 0.000 1.664 18 M HN 0.678 nan 8.290 nan 0.000 0.459 19 L N 2.494 123.719 121.223 0.003 0.000 3.976 19 L HA -0.281 4.064 4.340 0.009 0.000 0.418 19 L C -0.361 176.438 176.870 -0.118 0.000 1.177 19 L CA 0.892 55.784 54.840 0.086 0.000 0.968 19 L CB -1.687 40.493 42.059 0.203 0.000 1.933 19 L HN 0.778 nan 8.230 nan 0.000 0.976 20 K N 0.282 120.459 120.400 -0.372 0.000 2.565 20 K HA 0.526 4.851 4.320 0.009 0.000 0.251 20 K C -0.265 176.098 176.600 -0.396 0.000 0.956 20 K CA -0.834 55.267 56.287 -0.310 0.000 0.809 20 K CB 1.290 33.721 32.500 -0.114 0.000 1.267 20 K HN 0.047 nan 8.250 nan 0.000 0.438 21 L N 3.167 124.169 121.223 -0.370 0.000 2.483 21 L HA 0.087 4.432 4.340 0.009 0.000 0.276 21 L C 0.792 177.588 176.870 -0.124 0.000 1.213 21 L CA -0.026 54.675 54.840 -0.231 0.000 0.843 21 L CB 0.830 42.822 42.059 -0.111 0.000 1.107 21 L HN 0.812 nan 8.230 nan 0.000 0.487 22 S N 2.128 117.773 115.700 -0.091 0.000 2.576 22 S HA 0.116 4.591 4.470 0.009 0.000 0.272 22 S C -1.754 172.824 174.600 -0.036 0.000 1.352 22 S CA -1.058 57.108 58.200 -0.056 0.000 1.021 22 S CB 0.749 63.925 63.200 -0.041 0.000 0.887 22 S HN 0.438 nan 8.310 nan 0.000 0.542 23 P HA -0.121 nan 4.420 nan 0.000 0.216 23 P C 1.633 178.922 177.300 -0.018 0.000 1.153 23 P CA 0.605 63.694 63.100 -0.019 0.000 0.858 23 P CB -0.059 31.631 31.700 -0.016 0.000 0.789 24 L N -1.160 120.051 121.223 -0.020 0.000 2.046 24 L HA -0.117 4.228 4.340 0.009 0.000 0.208 24 L C 2.182 179.039 176.870 -0.022 0.000 1.077 24 L CA 1.767 56.593 54.840 -0.023 0.000 0.747 24 L CB -1.264 40.783 42.059 -0.019 0.000 0.896 24 L HN -0.116 nan 8.230 nan 0.000 0.432 25 L N -1.374 119.843 121.223 -0.010 0.000 2.109 25 L HA -0.172 4.173 4.340 0.009 0.000 0.207 25 L C 2.906 179.787 176.870 0.018 0.000 1.086 25 L CA 1.170 56.015 54.840 0.008 0.000 0.760 25 L CB -0.667 41.400 42.059 0.014 0.000 0.910 25 L HN 0.182 nan 8.230 nan 0.000 0.437 26 R N 0.354 120.859 120.500 0.008 0.000 2.081 26 R HA -0.112 4.233 4.340 0.009 0.000 0.235 26 R C 2.304 178.617 176.300 0.022 0.000 1.131 26 R CA 1.331 57.445 56.100 0.024 0.000 0.960 26 R CB -0.969 29.340 30.300 0.014 0.000 0.856 26 R HN 0.529 nan 8.270 nan 0.000 0.436 27 A N 0.667 123.486 122.820 -0.002 0.000 1.902 27 A HA 0.032 4.357 4.320 0.009 0.000 0.217 27 A C 2.438 179.996 177.584 -0.043 0.000 1.181 27 A CA 1.692 53.719 52.037 -0.016 0.000 0.623 27 A CB -0.507 18.474 19.000 -0.032 0.000 0.818 27 A HN 0.496 nan 8.150 nan 0.000 0.443 28 L N -1.036 120.137 121.223 -0.083 0.000 2.046 28 L HA -0.235 4.110 4.340 0.009 0.000 0.208 28 L C 2.906 179.820 176.870 0.073 0.000 1.077 28 L CA 1.828 56.553 54.840 -0.192 0.000 0.747 28 L CB -0.598 41.342 42.059 -0.199 0.000 0.896 28 L HN 0.586 nan 8.230 nan 0.000 0.432 29 Q N 0.162 120.027 119.800 0.108 0.000 2.084 29 Q HA -0.240 4.106 4.340 0.009 0.000 0.202 29 Q C 1.699 177.784 176.000 0.142 0.000 0.978 29 Q CA 1.868 57.764 55.803 0.156 0.000 0.844 29 Q CB 0.105 28.924 28.738 0.135 0.000 0.898 29 Q HN 0.439 nan 8.270 nan 0.000 0.426 30 D N -0.225 120.234 120.400 0.099 0.000 2.144 30 D HA -0.151 4.494 4.640 0.009 0.000 0.199 30 D C 1.949 178.309 176.300 0.100 0.000 0.984 30 D CA 0.898 54.949 54.000 0.085 0.000 0.834 30 D CB -0.022 40.812 40.800 0.058 0.000 0.955 30 D HN 0.252 nan 8.370 nan 0.000 0.465 31 R N 0.156 120.729 120.500 0.122 0.000 2.073 31 R HA 0.223 4.568 4.340 0.009 0.000 0.229 31 R C 1.419 177.847 176.300 0.213 0.000 1.120 31 R CA 0.798 56.991 56.100 0.154 0.000 0.967 31 R CB -0.358 30.030 30.300 0.147 0.000 0.862 31 R HN 0.189 nan 8.270 nan 0.000 0.436 32 G N -0.513 108.471 108.800 0.305 0.000 2.451 32 G HA2 0.260 4.225 3.960 0.009 0.000 0.292 32 G HA3 0.260 4.225 3.960 0.009 0.000 0.292 32 G C -2.656 172.304 174.900 0.100 0.000 1.427 32 G CA -0.730 44.453 45.100 0.138 0.000 0.792 32 G HN -0.226 nan 8.290 nan 0.000 0.498 33 P HA 0.234 nan 4.420 nan 0.000 0.240 33 P C 0.381 177.699 177.300 0.030 0.000 1.190 33 P CA 0.523 63.647 63.100 0.041 0.000 0.781 33 P CB 1.089 32.795 31.700 0.010 0.000 0.931 34 I N -0.391 120.075 120.570 -0.173 0.000 2.722 34 I HA 0.364 4.539 4.170 0.009 0.000 0.292 34 I C -1.594 174.316 176.117 -0.346 0.000 1.267 34 I CA -0.806 60.444 61.300 -0.085 0.000 1.036 34 I CB 2.020 40.087 38.000 0.112 0.000 1.281 34 I HN -0.145 nan 8.210 nan 0.000 0.423 35 H N 5.189 124.459 119.070 0.334 0.000 2.771 35 H HA 0.357 4.918 4.556 0.009 0.000 0.361 35 H C -0.984 174.495 175.328 0.251 0.000 1.108 35 H CA -0.955 55.267 56.048 0.289 0.000 1.201 35 H CB 2.167 32.018 29.762 0.148 0.000 1.681 35 H HN 0.476 nan 8.280 nan 0.000 0.534 36 R N 1.927 122.498 120.500 0.118 0.000 2.449 36 R HA 0.300 4.645 4.340 0.009 0.000 0.296 36 R C -0.501 175.710 176.300 -0.148 0.000 1.047 36 R CA -0.114 55.746 56.100 -0.400 0.000 1.018 36 R CB -0.193 29.703 30.300 -0.674 0.000 0.962 36 R HN 0.494 nan 8.270 nan 0.000 0.428 37 V N 1.064 120.876 119.914 -0.170 0.000 3.167 37 V HA 0.707 4.832 4.120 0.009 0.000 0.310 37 V C -0.821 175.217 176.094 -0.093 0.000 1.207 37 V CA -1.210 61.046 62.300 -0.073 0.000 1.059 37 V CB 2.044 33.869 31.823 0.004 0.000 1.079 37 V HN 0.784 nan 8.190 nan 0.000 0.446 38 R N 0.698 121.165 120.500 -0.054 0.000 2.589 38 R HA 0.725 5.070 4.340 0.009 0.000 0.293 38 R C -0.027 176.258 176.300 -0.025 0.000 0.963 38 R CA 0.254 56.323 56.100 -0.052 0.000 0.905 38 R CB 1.899 32.168 30.300 -0.053 0.000 1.144 38 R HN 1.179 nan 8.270 nan 0.000 0.459 39 T N 0.543 115.079 114.554 -0.030 0.000 2.912 39 T HA 0.365 4.720 4.350 0.009 0.000 0.280 39 T C -1.910 172.710 174.700 -0.134 0.000 0.989 39 T CA -1.831 60.245 62.100 -0.040 0.000 0.995 39 T CB 1.506 70.373 68.868 -0.000 0.000 1.077 39 T HN 0.386 nan 8.240 nan 0.000 0.531 40 P HA 0.065 nan 4.420 nan 0.000 0.221 40 P C 1.171 178.351 177.300 -0.200 0.000 1.145 40 P CA 0.914 63.857 63.100 -0.263 0.000 0.795 40 P CB -0.220 31.235 31.700 -0.408 0.000 0.775 41 A N -1.146 121.558 122.820 -0.194 0.000 2.208 41 A HA 0.419 4.744 4.320 0.009 0.000 0.209 41 A C 1.718 179.252 177.584 -0.083 0.000 1.161 41 A CA 0.921 52.886 52.037 -0.121 0.000 0.782 41 A CB -1.058 17.883 19.000 -0.098 0.000 0.816 41 A HN 0.247 nan 8.150 nan 0.000 0.477 42 G N -0.755 107.997 108.800 -0.081 0.000 2.159 42 G HA2 -0.167 3.798 3.960 0.009 0.000 0.227 42 G HA3 -0.167 3.798 3.960 0.009 0.000 0.227 42 G C -0.354 174.515 174.900 -0.052 0.000 0.986 42 G CA 0.190 45.253 45.100 -0.061 0.000 0.651 42 G HN 0.466 nan 8.290 nan 0.000 0.523 43 D N 0.578 120.949 120.400 -0.048 0.000 2.387 43 D HA 0.540 5.185 4.640 0.009 0.000 0.255 43 D C 0.563 176.831 176.300 -0.053 0.000 1.081 43 D CA -0.342 53.634 54.000 -0.040 0.000 0.994 43 D CB 0.792 41.579 40.800 -0.022 0.000 1.127 43 D HN 0.451 nan 8.370 nan 0.000 0.513 44 E N -0.346 119.813 120.200 -0.069 0.000 2.283 44 E HA 0.658 5.014 4.350 0.009 0.000 0.271 44 E C -0.760 175.751 176.600 -0.148 0.000 1.031 44 E CA -0.826 55.497 56.400 -0.128 0.000 0.868 44 E CB 1.684 31.284 29.700 -0.167 0.000 1.094 44 E HN 0.428 nan 8.360 nan 0.000 0.401 45 A N 1.855 124.533 122.820 -0.237 0.000 2.610 45 A HA 0.504 4.829 4.320 0.009 0.000 0.291 45 A C -2.125 175.260 177.584 -0.331 0.000 1.086 45 A CA -0.847 51.067 52.037 -0.205 0.000 0.677 45 A CB 0.728 19.688 19.000 -0.066 0.000 1.278 45 A HN 0.591 nan 8.150 nan 0.000 0.414 46 W N 0.114 121.392 121.300 -0.037 0.000 2.469 46 W HA 0.610 5.275 4.660 0.009 0.000 0.320 46 W C -0.318 176.181 176.519 -0.033 0.000 1.086 46 W CA -0.240 57.094 57.345 -0.018 0.000 1.211 46 W CB 1.697 31.138 29.460 -0.031 0.000 1.298 46 W HN 0.551 nan 8.180 nan 0.000 0.525 47 L N 4.677 126.063 121.223 0.273 0.000 2.305 47 L HA 0.618 4.963 4.340 0.009 0.000 0.284 47 L C -0.728 176.289 176.870 0.245 0.000 1.013 47 L CA -0.709 54.248 54.840 0.195 0.000 0.819 47 L CB 1.055 43.219 42.059 0.175 0.000 1.227 47 L HN 0.197 nan 8.230 nan 0.000 0.417 48 V N 3.745 123.790 119.914 0.218 0.000 2.439 48 V HA 0.414 4.540 4.120 0.009 0.000 0.282 48 V C 0.995 177.224 176.094 0.224 0.000 1.039 48 V CA 0.236 62.680 62.300 0.240 0.000 0.913 48 V CB 1.069 33.056 31.823 0.274 0.000 0.983 48 V HN 0.915 nan 8.190 nan 0.000 0.460 49 T N 1.225 115.909 114.554 0.217 0.000 3.003 49 T HA 0.348 4.703 4.350 0.009 0.000 0.261 49 T C 0.574 175.387 174.700 0.190 0.000 1.003 49 T CA -0.211 62.014 62.100 0.208 0.000 0.917 49 T CB 0.252 69.270 68.868 0.249 0.000 1.084 49 T HN 0.517 nan 8.240 nan 0.000 0.522 50 R N 0.068 120.676 120.500 0.180 0.000 2.803 50 R HA 0.443 4.788 4.340 0.009 0.000 0.276 50 R C 0.772 177.181 176.300 0.181 0.000 0.978 50 R CA -0.876 55.331 56.100 0.179 0.000 0.939 50 R CB 1.008 31.396 30.300 0.147 0.000 1.179 50 R HN 0.098 nan 8.270 nan 0.000 0.472 51 H N 1.875 121.003 119.070 0.097 0.000 2.321 51 H HA -0.098 4.463 4.556 0.008 0.000 0.300 51 H C 1.419 176.765 175.328 0.029 0.000 1.087 51 H CA 2.498 58.587 56.048 0.068 0.000 1.319 51 H CB 0.354 30.149 29.762 0.056 0.000 1.379 51 H HN 0.737 nan 8.280 nan 0.000 0.501 52 A N 0.870 123.818 122.820 0.213 0.000 1.877 52 A HA -0.179 4.146 4.320 0.009 0.000 0.216 52 A C 2.396 180.045 177.584 0.109 0.000 1.186 52 A CA 1.893 54.011 52.037 0.135 0.000 0.620 52 A CB -0.416 18.637 19.000 0.088 0.000 0.822 52 A HN 0.487 nan 8.150 nan 0.000 0.443 53 E N -0.458 119.832 120.200 0.151 0.000 2.106 53 E HA -0.068 4.287 4.350 0.009 0.000 0.192 53 E C 1.921 178.652 176.600 0.218 0.000 0.984 53 E CA 0.858 57.432 56.400 0.290 0.000 0.806 53 E CB -0.268 29.631 29.700 0.331 0.000 0.750 53 E HN 0.593 nan 8.360 nan 0.000 0.458 54 L N 0.808 122.078 121.223 0.079 0.000 2.027 54 L HA -0.183 4.162 4.340 0.009 0.000 0.206 54 L C 2.286 179.046 176.870 -0.184 0.000 1.074 54 L CA 1.468 56.265 54.840 -0.072 0.000 0.745 54 L CB -0.068 41.926 42.059 -0.108 0.000 0.898 54 L HN 0.015 nan 8.230 nan 0.000 0.433 55 K N -0.657 119.649 120.400 -0.157 0.000 2.147 55 K HA -0.269 4.056 4.320 0.009 0.000 0.205 55 K C 2.128 178.779 176.600 0.086 0.000 1.049 55 K CA 1.789 58.004 56.287 -0.120 0.000 0.936 55 K CB -0.051 32.310 32.500 -0.232 0.000 0.722 55 K HN 0.480 nan 8.250 nan 0.000 0.446 56 Q N 0.637 120.496 119.800 0.098 0.000 2.119 56 Q HA -0.127 4.218 4.340 0.009 0.000 0.201 56 Q C 1.997 178.071 176.000 0.123 0.000 0.972 56 Q CA 1.041 56.946 55.803 0.170 0.000 0.847 56 Q CB -0.021 28.850 28.738 0.222 0.000 0.903 56 Q HN 0.330 nan 8.270 nan 0.000 0.433 57 L N 0.580 121.797 121.223 -0.010 0.000 2.191 57 L HA -0.152 4.193 4.340 0.009 0.000 0.212 57 L C 2.284 179.170 176.870 0.026 0.000 1.103 57 L CA 0.589 55.383 54.840 -0.077 0.000 0.769 57 L CB -0.302 41.701 42.059 -0.093 0.000 0.908 57 L HN 0.301 nan 8.230 nan 0.000 0.438 58 L N -0.879 120.296 121.223 -0.080 0.000 2.456 58 L HA -0.161 4.184 4.340 0.009 0.000 0.224 58 L C 1.892 178.763 176.870 0.001 0.000 1.148 58 L CA 0.678 55.491 54.840 -0.046 0.000 0.825 58 L CB -0.439 41.522 42.059 -0.163 0.000 0.937 58 L HN 0.418 nan 8.230 nan 0.000 0.450 59 H N -2.062 117.100 119.070 0.154 0.000 2.755 59 H HA 0.163 4.724 4.556 0.009 0.000 0.273 59 H C -0.113 175.290 175.328 0.124 0.000 1.055 59 H CA -0.133 55.999 56.048 0.140 0.000 1.191 59 H CB 0.739 30.564 29.762 0.106 0.000 1.536 59 H HN 0.133 nan 8.280 nan 0.000 0.529 60 D N 2.386 122.909 120.400 0.206 0.000 2.313 60 D HA -0.039 4.607 4.640 0.009 0.000 0.239 60 D C 1.201 177.598 176.300 0.162 0.000 1.142 60 D CA -0.081 54.005 54.000 0.144 0.000 0.847 60 D CB 1.462 42.300 40.800 0.062 0.000 1.082 60 D HN 0.267 nan 8.370 nan 0.000 0.480 61 E N 4.556 124.839 120.200 0.139 0.000 2.511 61 E HA -0.108 4.247 4.350 0.009 0.000 0.196 61 E C 0.670 177.348 176.600 0.131 0.000 1.066 61 E CA 0.285 56.774 56.400 0.149 0.000 0.871 61 E CB -0.051 29.714 29.700 0.108 0.000 0.863 61 E HN 0.489 nan 8.360 nan 0.000 0.520 62 R N 0.110 120.668 120.500 0.097 0.000 2.280 62 R HA 0.219 4.564 4.340 0.009 0.000 0.207 62 R C 0.524 176.870 176.300 0.075 0.000 1.043 62 R CA 0.425 56.568 56.100 0.071 0.000 1.006 62 R CB 0.094 30.417 30.300 0.038 0.000 0.885 62 R HN 0.173 nan 8.270 nan 0.000 0.467 63 I N 0.463 121.095 120.570 0.102 0.000 2.362 63 I HA 0.368 4.543 4.170 0.009 0.000 0.289 63 I C 0.394 176.602 176.117 0.151 0.000 0.994 63 I CA -0.436 60.904 61.300 0.068 0.000 1.158 63 I CB 1.931 39.929 38.000 -0.004 0.000 1.315 63 I HN 0.056 nan 8.210 nan 0.000 0.451 64 G N 4.859 113.726 108.800 0.113 0.000 2.706 64 G HA2 0.361 4.327 3.960 0.009 0.000 0.307 64 G HA3 0.361 4.327 3.960 0.009 0.000 0.307 64 G C -0.221 174.755 174.900 0.126 0.000 1.307 64 G CA -0.675 44.558 45.100 0.223 0.000 0.790 64 G HN 0.476 nan 8.290 nan 0.000 0.503 65 R N -0.041 120.581 120.500 0.204 0.000 2.356 65 R HA 0.171 4.517 4.340 0.009 0.000 0.234 65 R C 0.597 177.002 176.300 0.174 0.000 0.929 65 R CA 0.495 56.687 56.100 0.153 0.000 1.084 65 R CB 0.093 30.464 30.300 0.117 0.000 1.105 65 R HN 0.560 nan 8.270 nan 0.000 0.515 66 T N -2.002 112.661 114.554 0.182 0.000 2.925 66 T HA 0.311 4.666 4.350 0.009 0.000 0.285 66 T C -0.576 174.193 174.700 0.115 0.000 1.021 66 T CA -0.640 61.531 62.100 0.118 0.000 1.042 66 T CB 2.473 71.387 68.868 0.077 0.000 1.037 66 T HN 0.131 nan 8.240 nan 0.000 0.481 67 H N 1.704 120.714 119.070 -0.101 0.000 3.038 67 H HA 0.297 4.859 4.556 0.009 0.000 0.362 67 H C -2.630 172.608 175.328 -0.149 0.000 1.167 67 H CA -1.605 54.312 56.048 -0.217 0.000 1.197 67 H CB 2.547 31.972 29.762 -0.561 0.000 1.840 67 H HN 0.354 nan 8.280 nan 0.000 0.540 68 P HA -0.086 nan 4.420 nan 0.000 0.216 68 P C 0.003 177.299 177.300 -0.006 0.000 1.150 68 P CA 1.421 64.413 63.100 -0.179 0.000 0.837 68 P CB 0.362 31.917 31.700 -0.242 0.000 0.786 69 D N -2.765 117.769 120.400 0.222 0.000 2.552 69 D HA 0.168 4.813 4.640 0.009 0.000 0.285 69 D C -2.000 174.337 176.300 0.063 0.000 1.206 69 D CA -2.212 51.880 54.000 0.152 0.000 0.826 69 D CB 0.155 41.017 40.800 0.104 0.000 1.179 69 D HN -0.125 nan 8.370 nan 0.000 0.508 70 P HA -0.115 nan 4.420 nan 0.000 0.217 70 P C -1.616 175.570 177.300 -0.190 0.000 1.148 70 P CA 1.075 64.065 63.100 -0.183 0.000 0.834 70 P CB -0.361 31.281 31.700 -0.097 0.000 0.783 71 P HA 0.038 nan 4.420 nan 0.000 0.245 71 P C 0.996 178.233 177.300 -0.105 0.000 1.206 71 P CA 1.071 64.113 63.100 -0.097 0.000 0.781 71 P CB -0.234 31.430 31.700 -0.060 0.000 0.994 72 S N -1.626 114.001 115.700 -0.123 0.000 2.557 72 S HA 0.425 4.900 4.470 0.009 0.000 0.223 72 S C 0.893 175.374 174.600 -0.199 0.000 0.969 72 S CA -0.483 57.651 58.200 -0.111 0.000 0.927 72 S CB -0.656 62.514 63.200 -0.050 0.000 0.806 72 S HN 0.054 nan 8.310 nan 0.000 0.489 73 A N 1.700 124.269 122.820 -0.417 0.000 2.462 73 A HA 0.696 5.021 4.320 0.009 0.000 0.243 73 A C 0.805 178.272 177.584 -0.195 0.000 1.076 73 A CA 0.011 51.655 52.037 -0.655 0.000 0.773 73 A CB -0.328 17.905 19.000 -1.279 0.000 1.010 73 A HN 1.016 nan 8.150 nan 0.000 0.493 74 A N 2.184 124.992 122.820 -0.020 0.000 2.498 74 A HA 0.466 4.791 4.320 0.009 0.000 0.239 74 A C 0.371 178.033 177.584 0.130 0.000 1.068 74 A CA 0.285 52.363 52.037 0.070 0.000 0.766 74 A CB -0.017 19.036 19.000 0.088 0.000 1.003 74 A HN 0.855 nan 8.150 nan 0.000 0.497 75 Q N -0.112 119.724 119.800 0.060 0.000 2.451 75 Q HA 0.343 4.688 4.340 0.009 0.000 0.281 75 Q C -0.309 175.736 176.000 0.074 0.000 1.099 75 Q CA -0.702 55.140 55.803 0.065 0.000 0.806 75 Q CB 1.544 30.303 28.738 0.035 0.000 1.419 75 Q HN 0.820 nan 8.270 nan 0.000 0.427 76 Y N 1.274 121.542 120.300 -0.053 0.000 2.201 76 Y HA 0.107 4.663 4.550 0.009 0.000 0.292 76 Y C 0.464 176.344 175.900 -0.034 0.000 1.119 76 Y CA 0.856 58.925 58.100 -0.052 0.000 1.127 76 Y CB 0.729 39.152 38.460 -0.062 0.000 1.019 76 Y HN 0.397 nan 8.280 nan 0.000 0.514 77 V N -1.134 118.772 119.914 -0.013 0.000 3.040 77 V HA 0.604 4.729 4.120 0.009 0.000 0.312 77 V C -0.915 175.172 176.094 -0.013 0.000 1.115 77 V CA -1.435 60.811 62.300 -0.091 0.000 0.998 77 V CB 1.942 33.730 31.823 -0.059 0.000 1.042 77 V HN -0.059 nan 8.190 nan 0.000 0.433 78 R N 2.016 122.500 120.500 -0.028 0.000 2.205 78 R HA 0.615 4.960 4.340 0.009 0.000 0.342 78 R C -0.327 175.975 176.300 0.002 0.000 1.058 78 R CA 0.118 56.210 56.100 -0.013 0.000 0.904 78 R CB 0.978 31.264 30.300 -0.024 0.000 1.089 78 R HN 0.889 nan 8.270 nan 0.000 0.471 79 S N 4.032 119.740 115.700 0.013 0.000 2.779 79 S HA 0.361 4.836 4.470 0.009 0.000 0.293 79 S C -1.822 172.791 174.600 0.021 0.000 1.150 79 S CA -1.578 56.638 58.200 0.027 0.000 1.057 79 S CB 1.412 64.643 63.200 0.052 0.000 1.021 79 S HN 0.260 nan 8.310 nan 0.000 0.485 80 P HA -0.064 nan 4.420 nan 0.000 0.220 80 P C 1.265 178.591 177.300 0.043 0.000 1.148 80 P CA 0.694 63.806 63.100 0.020 0.000 0.803 80 P CB -0.043 31.672 31.700 0.024 0.000 0.782 81 F N 0.805 120.698 119.950 -0.096 0.000 2.102 81 F HA -0.133 4.400 4.527 0.011 0.000 0.298 81 F C 2.187 177.927 175.800 -0.100 0.000 1.105 81 F CA 1.396 59.316 58.000 -0.133 0.000 1.239 81 F CB -1.003 37.838 39.000 -0.266 0.000 0.991 81 F HN -0.276 nan 8.300 nan 0.000 0.474 82 L N -0.290 120.869 121.223 -0.108 0.000 2.093 82 L HA -0.219 4.126 4.340 0.009 0.000 0.208 82 L C 2.058 178.840 176.870 -0.147 0.000 1.085 82 L CA 1.255 56.003 54.840 -0.153 0.000 0.755 82 L CB -0.919 41.122 42.059 -0.030 0.000 0.904 82 L HN 0.061 nan 8.230 nan 0.000 0.435 83 D N 0.500 120.842 120.400 -0.097 0.000 2.190 83 D HA -0.200 4.445 4.640 0.009 0.000 0.200 83 D C 2.308 178.533 176.300 -0.125 0.000 0.992 83 D CA 1.174 55.122 54.000 -0.085 0.000 0.854 83 D CB -0.255 40.507 40.800 -0.063 0.000 0.936 83 D HN 0.327 nan 8.370 nan 0.000 0.462 84 L N 0.116 121.223 121.223 -0.194 0.000 2.261 84 L HA -0.140 4.205 4.340 0.009 0.000 0.216 84 L C 2.353 179.096 176.870 -0.212 0.000 1.114 84 L CA 0.507 55.210 54.840 -0.228 0.000 0.777 84 L CB -0.287 41.584 42.059 -0.314 0.000 0.910 84 L HN 0.076 nan 8.230 nan 0.000 0.440 85 L N -0.668 120.437 121.223 -0.197 0.000 2.240 85 L HA -0.010 4.335 4.340 0.009 0.000 0.211 85 L C 0.714 177.552 176.870 -0.053 0.000 1.106 85 L CA 0.233 54.996 54.840 -0.128 0.000 0.793 85 L CB 0.076 42.063 42.059 -0.120 0.000 0.927 85 L HN 0.119 nan 8.230 nan 0.000 0.446 86 I N 0.071 120.619 120.570 -0.037 0.000 2.353 86 I HA 0.195 4.371 4.170 0.009 0.000 0.293 86 I C 0.466 176.573 176.117 -0.017 0.000 0.992 86 I CA 0.128 61.436 61.300 0.013 0.000 1.268 86 I CB 1.188 39.210 38.000 0.037 0.000 1.387 86 I HN 0.030 nan 8.210 nan 0.000 0.478 87 S N 3.221 118.923 115.700 0.004 0.000 2.667 87 S HA 0.483 4.958 4.470 0.009 0.000 0.292 87 S C -0.082 174.519 174.600 0.003 0.000 1.126 87 S CA -0.723 57.471 58.200 -0.010 0.000 0.881 87 S CB 2.260 65.454 63.200 -0.009 0.000 1.132 87 S HN 0.603 nan 8.310 nan 0.000 0.492 88 D N 0.363 120.760 120.400 -0.005 0.000 2.370 88 D HA 0.317 4.962 4.640 0.009 0.000 0.230 88 D C 0.766 177.064 176.300 -0.003 0.000 1.143 88 D CA -0.270 53.727 54.000 -0.004 0.000 0.834 88 D CB -0.559 40.235 40.800 -0.009 0.000 0.944 88 D HN 0.745 nan 8.370 nan 0.000 0.504 89 A N 1.320 124.143 122.820 0.006 0.000 2.492 89 A HA 0.210 4.535 4.320 0.009 0.000 0.236 89 A C 0.747 178.338 177.584 0.012 0.000 1.078 89 A CA -0.200 51.843 52.037 0.010 0.000 0.773 89 A CB 0.172 19.183 19.000 0.020 0.000 1.023 89 A HN 0.470 nan 8.150 nan 0.000 0.504 90 D N 0.535 120.942 120.400 0.011 0.000 2.371 90 D HA 0.299 4.944 4.640 0.009 0.000 0.242 90 D C 1.113 177.430 176.300 0.029 0.000 1.218 90 D CA 0.181 54.188 54.000 0.012 0.000 0.945 90 D CB 1.083 41.888 40.800 0.008 0.000 1.137 90 D HN 0.438 nan 8.370 nan 0.000 0.464 91 A N 0.833 123.673 122.820 0.033 0.000 1.902 91 A HA -0.183 4.143 4.320 0.009 0.000 0.217 91 A C 2.227 179.847 177.584 0.060 0.000 1.181 91 A CA 1.696 53.767 52.037 0.056 0.000 0.623 91 A CB -0.742 18.293 19.000 0.057 0.000 0.818 91 A HN 0.633 nan 8.150 nan 0.000 0.443 92 E N -0.158 120.068 120.200 0.043 0.000 2.077 92 E HA -0.126 4.229 4.350 0.009 0.000 0.193 92 E C 2.487 179.109 176.600 0.036 0.000 0.989 92 E CA 1.295 57.717 56.400 0.037 0.000 0.800 92 E CB -0.695 29.020 29.700 0.026 0.000 0.746 92 E HN 0.782 nan 8.360 nan 0.000 0.452 93 S N -0.027 115.693 115.700 0.033 0.000 2.368 93 S HA -0.068 4.407 4.470 0.009 0.000 0.224 93 S C 2.280 176.906 174.600 0.043 0.000 1.029 93 S CA 0.946 59.165 58.200 0.031 0.000 0.988 93 S CB -0.647 62.567 63.200 0.023 0.000 0.838 93 S HN 0.575 nan 8.310 nan 0.000 0.462 94 G N 1.737 110.571 108.800 0.056 0.000 2.421 94 G HA2 -0.236 3.729 3.960 0.009 0.000 0.216 94 G HA3 -0.236 3.729 3.960 0.009 0.000 0.216 94 G C 1.387 176.349 174.900 0.103 0.000 1.171 94 G CA 0.583 45.731 45.100 0.080 0.000 0.775 94 G HN 0.367 nan 8.290 nan 0.000 0.543 95 R N 0.526 121.084 120.500 0.097 0.000 2.092 95 R HA -0.020 4.325 4.340 0.009 0.000 0.231 95 R C 2.580 178.909 176.300 0.047 0.000 1.119 95 R CA 1.302 57.457 56.100 0.091 0.000 0.970 95 R CB -0.314 30.029 30.300 0.072 0.000 0.864 95 R HN 0.378 nan 8.270 nan 0.000 0.440 96 R N 0.090 120.610 120.500 0.034 0.000 2.075 96 R HA -0.120 4.225 4.340 0.009 0.000 0.232 96 R C 1.867 178.177 176.300 0.017 0.000 1.126 96 R CA 1.371 57.478 56.100 0.011 0.000 0.963 96 R CB -0.009 30.297 30.300 0.011 0.000 0.858 96 R HN 0.204 nan 8.270 nan 0.000 0.435 97 Q N -0.287 119.540 119.800 0.044 0.000 2.172 97 Q HA -0.164 4.181 4.340 0.009 0.000 0.200 97 Q C 1.920 177.972 176.000 0.087 0.000 0.964 97 Q CA 1.418 57.252 55.803 0.052 0.000 0.855 97 Q CB -0.570 28.200 28.738 0.052 0.000 0.918 97 Q HN 0.638 nan 8.270 nan 0.000 0.444 98 H N 0.145 119.199 119.070 -0.027 0.000 2.321 98 H HA -0.093 4.468 4.556 0.009 0.000 0.300 98 H C 1.759 177.030 175.328 -0.094 0.000 1.087 98 H CA 1.229 57.236 56.048 -0.068 0.000 1.319 98 H CB 0.407 30.091 29.762 -0.131 0.000 1.379 98 H HN 0.250 nan 8.280 nan 0.000 0.501 99 A N 0.815 123.521 122.820 -0.190 0.000 1.908 99 A HA -0.225 4.100 4.320 0.009 0.000 0.218 99 A C 2.257 179.762 177.584 -0.131 0.000 1.181 99 A CA 1.929 53.833 52.037 -0.221 0.000 0.627 99 A CB -0.488 18.427 19.000 -0.141 0.000 0.818 99 A HN 0.484 nan 8.150 nan 0.000 0.445 100 E N -0.342 119.822 120.200 -0.061 0.000 2.077 100 E HA -0.106 4.249 4.350 0.009 0.000 0.193 100 E C 2.085 178.674 176.600 -0.019 0.000 0.989 100 E CA 1.843 58.225 56.400 -0.029 0.000 0.800 100 E CB -0.746 28.952 29.700 -0.003 0.000 0.746 100 E HN 0.510 nan 8.360 nan 0.000 0.452 101 T N 0.519 115.072 114.554 -0.001 0.000 2.665 101 T HA -0.169 4.186 4.350 0.009 0.000 0.268 101 T C 1.824 176.522 174.700 -0.003 0.000 1.035 101 T CA 1.733 63.851 62.100 0.031 0.000 1.151 101 T CB -0.186 68.742 68.868 0.099 0.000 0.862 101 T HN 0.211 nan 8.240 nan 0.000 0.438 102 R N 0.397 120.844 120.500 -0.089 0.000 2.092 102 R HA 0.092 4.437 4.340 0.009 0.000 0.231 102 R C 2.679 178.946 176.300 -0.056 0.000 1.119 102 R CA 0.818 56.859 56.100 -0.098 0.000 0.970 102 R CB -0.228 29.942 30.300 -0.216 0.000 0.864 102 R HN 0.258 nan 8.270 nan 0.000 0.440 103 R N 1.073 121.536 120.500 -0.061 0.000 2.117 103 R HA -0.136 4.209 4.340 0.009 0.000 0.243 103 R C 2.012 178.305 176.300 -0.012 0.000 1.143 103 R CA 1.430 57.507 56.100 -0.038 0.000 0.968 103 R CB -0.151 30.126 30.300 -0.039 0.000 0.863 103 R HN 0.214 nan 8.270 nan 0.000 0.444 104 L N -0.210 121.014 121.223 0.002 0.000 2.162 104 L HA -0.057 4.289 4.340 0.009 0.000 0.205 104 L C 2.172 179.064 176.870 0.036 0.000 1.086 104 L CA 0.604 55.453 54.840 0.016 0.000 0.778 104 L CB -0.140 41.933 42.059 0.023 0.000 0.928 104 L HN 0.193 nan 8.230 nan 0.000 0.446 105 L N -1.134 120.126 121.223 0.062 0.000 2.162 105 L HA -0.077 4.268 4.340 0.009 0.000 0.205 105 L C 2.700 179.673 176.870 0.171 0.000 1.086 105 L CA 1.009 55.925 54.840 0.127 0.000 0.778 105 L CB -0.629 41.522 42.059 0.153 0.000 0.928 105 L HN 0.232 nan 8.230 nan 0.000 0.446 106 T N 0.765 115.383 114.554 0.105 0.000 2.746 106 T HA -0.066 4.289 4.350 0.009 0.000 0.267 106 T C -0.529 174.237 174.700 0.109 0.000 1.039 106 T CA 1.241 63.411 62.100 0.117 0.000 1.142 106 T CB -0.734 68.157 68.868 0.038 0.000 0.866 106 T HN 0.100 nan 8.240 nan 0.000 0.444 107 P HA 0.051 nan 4.420 nan 0.000 0.223 107 P C 1.301 178.580 177.300 -0.035 0.000 1.144 107 P CA 0.759 63.864 63.100 0.008 0.000 0.783 107 P CB -0.325 31.368 31.700 -0.013 0.000 0.771 108 L N -3.007 118.177 121.223 -0.065 0.000 2.362 108 L HA -0.035 4.310 4.340 0.009 0.000 0.219 108 L C 1.025 177.531 176.870 -0.607 0.000 1.134 108 L CA 1.019 55.663 54.840 -0.328 0.000 0.807 108 L CB -0.614 41.189 42.059 -0.428 0.000 0.927 108 L HN -0.077 nan 8.230 nan 0.000 0.447 109 F N -0.780 119.157 119.950 -0.022 0.000 2.850 109 F HA 0.165 4.696 4.527 0.008 0.000 0.329 109 F C 1.354 177.136 175.800 -0.030 0.000 1.182 109 F CA -0.833 57.150 58.000 -0.028 0.000 1.270 109 F CB -0.081 38.897 39.000 -0.036 0.000 0.979 109 F HN -0.103 nan 8.300 nan 0.000 0.506 110 S N 0.176 115.908 115.700 0.054 0.000 2.576 110 S HA 0.326 4.801 4.470 0.009 0.000 0.272 110 S C 1.638 176.257 174.600 0.033 0.000 1.352 110 S CA -0.122 58.098 58.200 0.034 0.000 1.021 110 S CB 1.348 64.548 63.200 0.000 0.000 0.887 110 S HN 0.327 nan 8.310 nan 0.000 0.542 111 A N 1.739 124.574 122.820 0.025 0.000 1.948 111 A HA -0.171 4.154 4.320 0.009 0.000 0.220 111 A C 2.314 179.906 177.584 0.013 0.000 1.177 111 A CA 1.870 53.921 52.037 0.022 0.000 0.636 111 A CB -0.879 18.129 19.000 0.014 0.000 0.815 111 A HN 0.962 nan 8.150 nan 0.000 0.449 112 R N -0.745 119.757 120.500 0.002 0.000 2.075 112 R HA -0.075 4.270 4.340 0.009 0.000 0.232 112 R C 2.392 178.685 176.300 -0.013 0.000 1.126 112 R CA 1.533 57.629 56.100 -0.006 0.000 0.963 112 R CB -0.224 30.069 30.300 -0.012 0.000 0.858 112 R HN 0.503 nan 8.270 nan 0.000 0.435 113 R N -0.397 120.087 120.500 -0.026 0.000 2.115 113 R HA -0.037 4.308 4.340 0.009 0.000 0.230 113 R C 2.193 178.473 176.300 -0.033 0.000 1.111 113 R CA 1.224 57.294 56.100 -0.052 0.000 0.976 113 R CB -0.027 30.210 30.300 -0.104 0.000 0.870 113 R HN 0.108 nan 8.270 nan 0.000 0.445 114 V N 1.099 121.017 119.914 0.006 0.000 2.427 114 V HA -0.205 3.920 4.120 0.009 0.000 0.248 114 V C 2.082 178.193 176.094 0.027 0.000 1.051 114 V CA 1.234 63.559 62.300 0.040 0.000 1.048 114 V CB -0.368 31.504 31.823 0.082 0.000 0.666 114 V HN 0.242 nan 8.190 nan 0.000 0.456 115 L N 0.604 121.838 121.223 0.019 0.000 2.046 115 L HA -0.163 4.182 4.340 0.009 0.000 0.208 115 L C 2.332 179.208 176.870 0.009 0.000 1.077 115 L CA 1.925 56.775 54.840 0.016 0.000 0.747 115 L CB -0.760 41.306 42.059 0.013 0.000 0.896 115 L HN 0.394 nan 8.230 nan 0.000 0.432 116 E N -1.120 119.079 120.200 -0.002 0.000 2.204 116 E HA -0.219 4.136 4.350 0.009 0.000 0.194 116 E C 2.090 178.687 176.600 -0.005 0.000 0.989 116 E CA 1.416 57.812 56.400 -0.007 0.000 0.824 116 E CB -0.223 29.465 29.700 -0.020 0.000 0.756 116 E HN 0.550 nan 8.360 nan 0.000 0.477 117 M N 0.375 119.973 119.600 -0.003 0.000 2.394 117 M HA -0.136 4.349 4.480 0.009 0.000 0.264 117 M C 2.376 178.687 176.300 0.019 0.000 1.073 117 M CA 0.978 56.280 55.300 0.002 0.000 1.111 117 M CB 0.006 32.610 32.600 0.008 0.000 1.401 117 M HN 0.077 nan 8.290 nan 0.000 0.448 118 Q N 1.149 120.964 119.800 0.025 0.000 2.077 118 Q HA -0.178 4.167 4.340 0.009 0.000 0.206 118 Q C -0.839 175.185 176.000 0.039 0.000 0.989 118 Q CA 1.921 57.747 55.803 0.037 0.000 0.853 118 Q CB -0.869 27.890 28.738 0.036 0.000 0.907 118 Q HN 0.247 nan 8.270 nan 0.000 0.418 119 P HA -0.204 nan 4.420 nan 0.000 0.215 119 P C 0.770 178.091 177.300 0.035 0.000 1.157 119 P CA 1.529 64.646 63.100 0.028 0.000 0.874 119 P CB -0.041 31.670 31.700 0.018 0.000 0.790 120 K N -0.661 119.758 120.400 0.031 0.000 2.148 120 K HA -0.023 4.302 4.320 0.009 0.000 0.204 120 K C 2.015 178.653 176.600 0.064 0.000 1.050 120 K CA 0.889 57.198 56.287 0.037 0.000 0.942 120 K CB -1.067 31.445 32.500 0.020 0.000 0.724 120 K HN 0.097 nan 8.250 nan 0.000 0.446 121 V N 1.804 121.759 119.914 0.069 0.000 2.295 121 V HA -0.236 3.889 4.120 0.009 0.000 0.246 121 V C 2.103 178.322 176.094 0.209 0.000 1.049 121 V CA 1.784 64.162 62.300 0.131 0.000 1.024 121 V CB -0.420 31.466 31.823 0.105 0.000 0.648 121 V HN 0.367 nan 8.190 nan 0.000 0.447 122 E N -0.243 120.028 120.200 0.118 0.000 2.106 122 E HA -0.224 4.131 4.350 0.009 0.000 0.192 122 E C 2.239 178.872 176.600 0.055 0.000 0.984 122 E CA 1.303 57.748 56.400 0.076 0.000 0.806 122 E CB -0.118 29.609 29.700 0.044 0.000 0.750 122 E HN 0.687 nan 8.360 nan 0.000 0.458 123 E N 0.586 120.822 120.200 0.060 0.000 2.072 123 E HA -0.168 4.187 4.350 0.009 0.000 0.191 123 E C 2.055 178.690 176.600 0.058 0.000 0.985 123 E CA 0.923 57.349 56.400 0.044 0.000 0.801 123 E CB -0.082 29.640 29.700 0.037 0.000 0.750 123 E HN 0.224 nan 8.360 nan 0.000 0.452 124 A N 1.417 124.306 122.820 0.115 0.000 1.898 124 A HA -0.071 4.254 4.320 0.009 0.000 0.216 124 A C 2.378 180.052 177.584 0.151 0.000 1.181 124 A CA 1.554 53.691 52.037 0.166 0.000 0.620 124 A CB -0.615 18.524 19.000 0.232 0.000 0.819 124 A HN 0.288 nan 8.150 nan 0.000 0.442 125 A N 0.244 123.113 122.820 0.081 0.000 1.877 125 A HA -0.193 4.132 4.320 0.009 0.000 0.216 125 A C 1.789 179.249 177.584 -0.206 0.000 1.186 125 A CA 1.884 53.706 52.037 -0.358 0.000 0.620 125 A CB -0.662 18.019 19.000 -0.532 0.000 0.822 125 A HN 0.463 nan 8.150 nan 0.000 0.443 126 D N -0.379 119.961 120.400 -0.100 0.000 2.106 126 D HA -0.129 4.516 4.640 0.009 0.000 0.191 126 D C 2.046 178.318 176.300 -0.048 0.000 0.997 126 D CA 2.046 56.004 54.000 -0.070 0.000 0.834 126 D CB -0.903 39.877 40.800 -0.034 0.000 0.956 126 D HN 0.396 nan 8.370 nan 0.000 0.448 127 T N 1.154 115.698 114.554 -0.017 0.000 2.684 127 T HA -0.108 4.247 4.350 0.009 0.000 0.267 127 T C 2.242 176.942 174.700 0.000 0.000 1.036 127 T CA 0.697 62.797 62.100 0.001 0.000 1.148 127 T CB -0.355 68.525 68.868 0.020 0.000 0.863 127 T HN 0.103 nan 8.240 nan 0.000 0.436 128 L N 0.113 121.329 121.223 -0.012 0.000 2.093 128 L HA -0.004 4.341 4.340 0.009 0.000 0.208 128 L C 2.362 179.217 176.870 -0.024 0.000 1.085 128 L CA 0.541 55.374 54.840 -0.011 0.000 0.755 128 L CB -0.370 41.676 42.059 -0.020 0.000 0.904 128 L HN 0.209 nan 8.230 nan 0.000 0.435 129 L N -0.226 120.942 121.223 -0.091 0.000 2.072 129 L HA -0.174 4.171 4.340 0.009 0.000 0.205 129 L C 2.012 178.882 176.870 0.000 0.000 1.079 129 L CA 1.753 56.544 54.840 -0.081 0.000 0.752 129 L CB -0.705 41.247 42.059 -0.178 0.000 0.906 129 L HN 0.179 nan 8.230 nan 0.000 0.436 130 D N 0.215 120.606 120.400 -0.016 0.000 2.126 130 D HA -0.258 4.387 4.640 0.009 0.000 0.190 130 D C 2.180 178.501 176.300 0.035 0.000 1.001 130 D CA 1.897 55.898 54.000 0.002 0.000 0.841 130 D CB -0.382 40.418 40.800 0.000 0.000 0.949 130 D HN 0.480 nan 8.370 nan 0.000 0.446 131 A N 0.068 122.921 122.820 0.055 0.000 1.933 131 A HA -0.172 4.153 4.320 0.009 0.000 0.218 131 A C 2.132 179.786 177.584 0.118 0.000 1.175 131 A CA 1.134 53.216 52.037 0.075 0.000 0.628 131 A CB -0.911 18.135 19.000 0.076 0.000 0.814 131 A HN 0.250 nan 8.150 nan 0.000 0.444 132 F N 0.466 120.400 119.950 -0.027 0.000 2.146 132 F HA -0.085 4.446 4.527 0.006 0.000 0.298 132 F C 1.945 177.774 175.800 0.048 0.000 1.096 132 F CA 1.443 59.437 58.000 -0.010 0.000 1.275 132 F CB -0.241 38.702 39.000 -0.096 0.000 1.008 132 F HN 0.170 nan 8.300 nan 0.000 0.480 133 I N -0.014 120.549 120.570 -0.013 0.000 2.252 133 I HA -0.260 3.915 4.170 0.009 0.000 0.245 133 I C 2.674 178.839 176.117 0.080 0.000 1.102 133 I CA 1.090 62.372 61.300 -0.029 0.000 1.385 133 I CB -0.916 37.037 38.000 -0.079 0.000 1.064 133 I HN 0.195 nan 8.210 nan 0.000 0.414 134 A N 0.207 123.051 122.820 0.041 0.000 1.917 134 A HA -0.333 3.993 4.320 0.009 0.000 0.219 134 A C 2.230 179.828 177.584 0.023 0.000 1.182 134 A CA 2.181 54.239 52.037 0.035 0.000 0.633 134 A CB -0.708 18.307 19.000 0.026 0.000 0.819 134 A HN 0.439 nan 8.150 nan 0.000 0.448 135 Q N -0.985 118.817 119.800 0.004 0.000 2.291 135 Q HA 0.247 4.592 4.340 0.009 0.000 0.205 135 Q C 0.946 176.915 176.000 -0.051 0.000 0.970 135 Q CA 1.034 56.822 55.803 -0.026 0.000 0.876 135 Q CB -0.547 28.163 28.738 -0.048 0.000 0.935 135 Q HN 1.170 nan 8.270 nan 0.000 0.455 136 G N 0.133 108.933 108.800 0.001 0.000 2.819 136 G HA2 -0.191 3.774 3.960 0.009 0.000 0.682 136 G HA3 -0.191 3.774 3.960 0.009 0.000 0.682 136 G C -2.651 172.014 174.900 -0.392 0.000 1.481 136 G CA -0.428 44.627 45.100 -0.075 0.000 0.904 136 G HN 0.273 nan 8.290 nan 0.000 0.563 137 P HA 0.462 nan 4.420 nan 0.000 0.279 137 P C -2.182 174.806 177.300 -0.519 0.000 1.252 137 P CA -1.280 61.151 63.100 -1.115 0.000 0.811 137 P CB 0.122 30.821 31.700 -1.667 0.000 1.035 138 P HA 0.450 nan 4.420 nan 0.000 0.274 138 P C -0.242 176.956 177.300 -0.170 0.000 1.237 138 P CA -0.072 62.867 63.100 -0.270 0.000 0.793 138 P CB 0.484 32.105 31.700 -0.132 0.000 0.977 139 G N -0.133 108.664 108.800 -0.005 0.000 2.620 139 G HA2 0.390 4.355 3.960 0.009 0.000 0.301 139 G HA3 0.390 4.355 3.960 0.009 0.000 0.301 139 G C -1.511 173.583 174.900 0.324 0.000 1.347 139 G CA -0.433 44.718 45.100 0.084 0.000 0.971 139 G HN 0.467 nan 8.290 nan 0.000 0.488 140 D N 1.778 122.366 120.400 0.314 0.000 2.383 140 D HA 0.051 4.696 4.640 0.009 0.000 0.245 140 D C 1.576 178.083 176.300 0.345 0.000 1.263 140 D CA -0.551 53.616 54.000 0.278 0.000 0.936 140 D CB 1.096 42.012 40.800 0.194 0.000 1.053 140 D HN 0.154 nan 8.370 nan 0.000 0.507 141 L N 5.065 126.450 121.223 0.270 0.000 2.079 141 L HA -0.178 4.167 4.340 0.009 0.000 0.210 141 L C 2.101 178.944 176.870 -0.046 0.000 1.081 141 L CA 1.699 56.522 54.840 -0.028 0.000 0.752 141 L CB -0.435 41.612 42.059 -0.020 0.000 0.896 141 L HN 0.645 nan 8.230 nan 0.000 0.433 142 H N -0.920 118.151 119.070 0.003 0.000 2.276 142 H HA -0.080 4.480 4.556 0.007 0.000 0.301 142 H C 1.908 177.259 175.328 0.038 0.000 1.073 142 H CA 1.702 57.772 56.048 0.037 0.000 1.311 142 H CB -0.221 29.598 29.762 0.096 0.000 1.379 142 H HN 0.452 nan 8.280 nan 0.000 0.494 143 G N 0.125 108.999 108.800 0.122 0.000 2.448 143 G HA2 -0.142 3.823 3.960 0.009 0.000 0.218 143 G HA3 -0.142 3.823 3.960 0.009 0.000 0.218 143 G C 1.354 176.269 174.900 0.025 0.000 1.135 143 G CA 0.369 45.505 45.100 0.059 0.000 0.784 143 G HN 0.401 nan 8.290 nan 0.000 0.543 144 E N -1.101 119.136 120.200 0.062 0.000 2.489 144 E HA 0.254 4.609 4.350 0.009 0.000 0.204 144 E C 1.480 178.062 176.600 -0.030 0.000 1.006 144 E CA -0.057 56.405 56.400 0.102 0.000 0.936 144 E CB 0.946 30.837 29.700 0.318 0.000 1.002 144 E HN 0.437 nan 8.360 nan 0.000 0.488 145 L N -0.300 120.803 121.223 -0.201 0.000 2.932 145 L HA 0.052 4.397 4.340 0.009 0.000 0.168 145 L C 2.136 178.902 176.870 -0.173 0.000 1.125 145 L CA 1.326 55.968 54.840 -0.330 0.000 0.868 145 L CB -0.384 41.178 42.059 -0.828 0.000 1.496 145 L HN 0.011 nan 8.230 nan 0.000 0.519 146 T N -2.322 112.128 114.554 -0.173 0.000 2.737 146 T HA -0.107 4.248 4.350 0.009 0.000 0.265 146 T C 1.760 176.417 174.700 -0.071 0.000 1.038 146 T CA 1.677 63.741 62.100 -0.059 0.000 1.144 146 T CB -1.030 67.823 68.868 -0.025 0.000 0.866 146 T HN 0.084 nan 8.240 nan 0.000 0.434 147 V N 3.411 123.191 119.914 -0.223 0.000 2.261 147 V HA -0.071 4.054 4.120 0.009 0.000 0.246 147 V C -0.028 176.006 176.094 -0.099 0.000 1.047 147 V CA 2.029 64.203 62.300 -0.210 0.000 1.015 147 V CB -1.475 30.151 31.823 -0.329 0.000 0.642 147 V HN 0.446 nan 8.190 nan 0.000 0.446 148 P HA -0.170 nan 4.420 nan 0.000 0.218 148 P C 1.721 179.044 177.300 0.038 0.000 1.149 148 P CA 1.424 64.516 63.100 -0.014 0.000 0.817 148 P CB -0.160 31.542 31.700 0.003 0.000 0.785 149 F N 1.726 121.612 119.950 -0.105 0.000 2.075 149 F HA -0.079 4.453 4.527 0.007 0.000 0.297 149 F C 2.286 178.041 175.800 -0.076 0.000 1.113 149 F CA 1.468 59.413 58.000 -0.092 0.000 1.218 149 F CB -1.156 37.773 39.000 -0.118 0.000 0.984 149 F HN -0.095 nan 8.300 nan 0.000 0.472 150 A N 0.382 123.051 122.820 -0.252 0.000 1.908 150 A HA -0.174 4.151 4.320 0.009 0.000 0.218 150 A C 2.157 179.595 177.584 -0.243 0.000 1.181 150 A CA 1.818 53.648 52.037 -0.345 0.000 0.627 150 A CB -1.327 17.564 19.000 -0.181 0.000 0.818 150 A HN 0.497 nan 8.150 nan 0.000 0.445 151 L N -0.274 120.859 121.223 -0.150 0.000 2.056 151 L HA -0.096 4.249 4.340 0.009 0.000 0.207 151 L C 2.526 179.341 176.870 -0.092 0.000 1.078 151 L CA 2.716 57.495 54.840 -0.100 0.000 0.749 151 L CB -1.036 40.982 42.059 -0.068 0.000 0.901 151 L HN 0.391 nan 8.230 nan 0.000 0.433 152 T N -1.209 113.290 114.554 -0.092 0.000 2.684 152 T HA -0.188 4.167 4.350 0.009 0.000 0.267 152 T C 1.976 176.617 174.700 -0.098 0.000 1.036 152 T CA 1.744 63.806 62.100 -0.063 0.000 1.148 152 T CB -0.469 68.394 68.868 -0.008 0.000 0.863 152 T HN 0.185 nan 8.240 nan 0.000 0.436 153 V N 1.338 121.126 119.914 -0.210 0.000 2.295 153 V HA -0.125 4.000 4.120 0.009 0.000 0.246 153 V C 2.492 178.517 176.094 -0.115 0.000 1.049 153 V CA 1.442 63.614 62.300 -0.213 0.000 1.024 153 V CB -0.634 30.930 31.823 -0.432 0.000 0.648 153 V HN 0.415 nan 8.190 nan 0.000 0.447 154 L N -0.859 120.297 121.223 -0.112 0.000 2.017 154 L HA -0.254 4.091 4.340 0.009 0.000 0.208 154 L C 2.617 179.483 176.870 -0.007 0.000 1.073 154 L CA 1.995 56.813 54.840 -0.038 0.000 0.745 154 L CB -0.424 41.612 42.059 -0.039 0.000 0.894 154 L HN 0.449 nan 8.230 nan 0.000 0.432 155 C N -0.383 118.907 119.300 -0.016 0.000 2.413 155 C HA -0.199 4.266 4.460 0.009 0.000 0.276 155 C C 2.682 177.677 174.990 0.008 0.000 1.248 155 C CA 1.206 60.229 59.018 0.008 0.000 1.742 155 C CB -0.708 27.033 27.740 0.002 0.000 2.017 155 C HN 0.555 nan 8.230 nan 0.000 0.481 156 E N 0.672 120.867 120.200 -0.008 0.000 2.077 156 E HA -0.146 4.210 4.350 0.009 0.000 0.193 156 E C 1.993 178.587 176.600 -0.010 0.000 0.989 156 E CA 1.353 57.750 56.400 -0.006 0.000 0.800 156 E CB -0.240 29.453 29.700 -0.012 0.000 0.746 156 E HN 0.355 nan 8.360 nan 0.000 0.452 157 V N 0.341 120.247 119.914 -0.012 0.000 2.453 157 V HA -0.151 3.975 4.120 0.009 0.000 0.247 157 V C 2.239 178.319 176.094 -0.025 0.000 1.048 157 V CA 1.540 63.825 62.300 -0.025 0.000 1.049 157 V CB -0.268 31.556 31.823 0.002 0.000 0.672 157 V HN 0.341 nan 8.190 nan 0.000 0.457 158 I N -0.167 120.409 120.570 0.010 0.000 2.500 158 I HA 0.099 4.274 4.170 0.009 0.000 0.252 158 I C 1.686 177.814 176.117 0.018 0.000 1.142 158 I CA 1.241 62.556 61.300 0.024 0.000 1.451 158 I CB -0.054 37.980 38.000 0.057 0.000 1.093 158 I HN 0.508 nan 8.210 nan 0.000 0.430 159 G N 0.915 109.729 108.800 0.024 0.000 2.141 159 G HA2 -0.165 3.800 3.960 0.009 0.000 0.164 159 G HA3 -0.165 3.800 3.960 0.009 0.000 0.164 159 G C -0.006 174.929 174.900 0.059 0.000 1.009 159 G CA -0.397 44.723 45.100 0.033 0.000 0.677 159 G HN 0.073 nan 8.290 nan 0.000 0.508 160 V N 1.651 121.606 119.914 0.068 0.000 2.461 160 V HA 0.400 4.525 4.120 0.009 0.000 0.275 160 V C -1.322 174.814 176.094 0.070 0.000 1.047 160 V CA -1.416 60.947 62.300 0.106 0.000 0.955 160 V CB 1.308 33.204 31.823 0.121 0.000 0.988 160 V HN 0.134 nan 8.190 nan 0.000 0.471 161 P HA 0.085 nan 4.420 nan 0.000 0.266 161 P C -1.814 175.493 177.300 0.011 0.000 1.195 161 P CA -1.010 62.109 63.100 0.033 0.000 0.768 161 P CB 0.126 31.840 31.700 0.024 0.000 0.838 162 P HA -0.155 nan 4.420 nan 0.000 0.222 162 P C 0.738 178.027 177.300 -0.018 0.000 1.147 162 P CA 1.416 64.513 63.100 -0.005 0.000 0.790 162 P CB 0.133 31.834 31.700 0.001 0.000 0.780 163 Q N -0.636 119.150 119.800 -0.023 0.000 2.436 163 Q HA 0.003 4.348 4.340 0.009 0.000 0.209 163 Q C 1.989 177.953 176.000 -0.061 0.000 0.965 163 Q CA 0.810 56.593 55.803 -0.034 0.000 0.910 163 Q CB -0.496 28.223 28.738 -0.031 0.000 0.980 163 Q HN 0.242 nan 8.270 nan 0.000 0.491 164 R N 0.001 120.452 120.500 -0.082 0.000 2.299 164 R HA 0.106 4.451 4.340 0.009 0.000 0.197 164 R C 1.705 177.933 176.300 -0.120 0.000 0.971 164 R CA 0.172 56.179 56.100 -0.154 0.000 1.030 164 R CB -0.062 30.091 30.300 -0.245 0.000 0.932 164 R HN 0.286 nan 8.270 nan 0.000 0.477 165 R N 1.340 121.798 120.500 -0.070 0.000 2.094 165 R HA -0.164 4.181 4.340 0.009 0.000 0.239 165 R C 2.004 178.275 176.300 -0.049 0.000 1.137 165 R CA 1.901 57.971 56.100 -0.050 0.000 0.943 165 R CB -0.239 30.043 30.300 -0.030 0.000 0.850 165 R HN 0.152 nan 8.270 nan 0.000 0.433 166 A N 0.909 123.703 122.820 -0.044 0.000 1.908 166 A HA -0.249 4.076 4.320 0.009 0.000 0.218 166 A C 2.083 179.640 177.584 -0.045 0.000 1.181 166 A CA 1.811 53.827 52.037 -0.034 0.000 0.627 166 A CB -0.696 18.289 19.000 -0.025 0.000 0.818 166 A HN 0.686 nan 8.150 nan 0.000 0.445 167 E N -0.145 120.011 120.200 -0.073 0.000 2.106 167 E HA -0.137 4.218 4.350 0.009 0.000 0.192 167 E C 1.912 178.461 176.600 -0.086 0.000 0.984 167 E CA 0.990 57.336 56.400 -0.089 0.000 0.806 167 E CB -0.210 29.406 29.700 -0.140 0.000 0.750 167 E HN 0.630 nan 8.360 nan 0.000 0.458 168 L N 0.557 121.721 121.223 -0.098 0.000 2.141 168 L HA -0.123 4.222 4.340 0.009 0.000 0.209 168 L C 2.586 179.443 176.870 -0.021 0.000 1.094 168 L CA 1.376 56.182 54.840 -0.057 0.000 0.763 168 L CB -0.574 41.455 42.059 -0.049 0.000 0.908 168 L HN 0.215 nan 8.230 nan 0.000 0.437 169 T N -0.845 113.695 114.554 -0.024 0.000 2.720 169 T HA -0.194 4.161 4.350 0.009 0.000 0.268 169 T C 1.902 176.607 174.700 0.008 0.000 1.037 169 T CA 2.034 64.129 62.100 -0.008 0.000 1.144 169 T CB -0.308 68.554 68.868 -0.010 0.000 0.864 169 T HN 0.370 nan 8.240 nan 0.000 0.444 170 T N 2.367 116.922 114.554 0.001 0.000 2.674 170 T HA 0.054 4.409 4.350 0.009 0.000 0.265 170 T C 2.031 176.740 174.700 0.015 0.000 1.039 170 T CA 0.912 63.018 62.100 0.010 0.000 1.150 170 T CB -0.481 68.387 68.868 0.001 0.000 0.864 170 T HN 0.238 nan 8.240 nan 0.000 0.427 171 L N 0.305 121.533 121.223 0.008 0.000 2.046 171 L HA -0.006 4.339 4.340 0.009 0.000 0.208 171 L C 2.471 179.355 176.870 0.024 0.000 1.077 171 L CA 1.075 55.925 54.840 0.016 0.000 0.747 171 L CB -0.551 41.518 42.059 0.017 0.000 0.896 171 L HN 0.230 nan 8.230 nan 0.000 0.432 172 L N -0.607 120.642 121.223 0.044 0.000 2.201 172 L HA -0.134 4.211 4.340 0.009 0.000 0.212 172 L C 2.771 179.724 176.870 0.140 0.000 1.105 172 L CA 0.805 55.706 54.840 0.101 0.000 0.775 172 L CB -0.579 41.545 42.059 0.109 0.000 0.913 172 L HN 0.220 nan 8.230 nan 0.000 0.440 173 A N 0.170 123.043 122.820 0.088 0.000 1.897 173 A HA -0.061 4.264 4.320 0.009 0.000 0.215 173 A C 2.407 180.025 177.584 0.057 0.000 1.181 173 A CA 1.481 53.573 52.037 0.092 0.000 0.620 173 A CB -1.095 17.947 19.000 0.069 0.000 0.821 173 A HN 0.405 nan 8.150 nan 0.000 0.443 174 G N 1.036 109.853 108.800 0.028 0.000 2.421 174 G HA2 -0.231 3.735 3.960 0.009 0.000 0.216 174 G HA3 -0.231 3.735 3.960 0.009 0.000 0.216 174 G C 1.542 176.427 174.900 -0.025 0.000 1.171 174 G CA 1.231 46.336 45.100 0.008 0.000 0.775 174 G HN 0.867 nan 8.290 nan 0.000 0.543 175 I N -1.142 119.381 120.570 -0.077 0.000 2.567 175 I HA 0.088 4.263 4.170 0.009 0.000 0.257 175 I C 2.390 178.368 176.117 -0.232 0.000 1.184 175 I CA 1.487 62.677 61.300 -0.184 0.000 1.451 175 I CB -0.134 37.632 38.000 -0.390 0.000 1.089 175 I HN 0.135 nan 8.210 nan 0.000 0.441 176 A N 0.906 123.633 122.820 -0.155 0.000 2.275 176 A HA 0.175 4.501 4.320 0.009 0.000 0.212 176 A C 0.929 178.520 177.584 0.011 0.000 1.201 176 A CA -0.233 51.753 52.037 -0.085 0.000 0.843 176 A CB -0.359 18.726 19.000 0.141 0.000 0.873 176 A HN 0.392 nan 8.150 nan 0.000 0.492 177 K N 0.145 120.549 120.400 0.007 0.000 2.484 177 K HA 0.201 4.526 4.320 0.009 0.000 0.280 177 K C 0.329 176.938 176.600 0.015 0.000 1.013 177 K CA 0.121 56.419 56.287 0.018 0.000 1.029 177 K CB 0.520 33.027 32.500 0.012 0.000 0.902 177 K HN 0.318 nan 8.250 nan 0.000 0.481 178 L N 2.022 123.255 121.223 0.016 0.000 2.556 178 L HA -0.009 4.336 4.340 0.009 0.000 0.226 178 L C 0.733 177.601 176.870 -0.003 0.000 1.089 178 L CA 0.292 55.136 54.840 0.008 0.000 0.864 178 L CB 0.033 42.094 42.059 0.005 0.000 1.067 178 L HN 0.690 nan 8.230 nan 0.000 0.477 179 D N -2.239 118.160 120.400 -0.001 0.000 2.463 179 D HA 0.054 4.699 4.640 0.009 0.000 0.224 179 D C 0.038 176.337 176.300 -0.003 0.000 1.174 179 D CA 0.081 54.078 54.000 -0.005 0.000 0.829 179 D CB 0.285 41.083 40.800 -0.004 0.000 0.993 179 D HN 0.005 nan 8.370 nan 0.000 0.497 180 D N 0.473 120.872 120.400 -0.000 0.000 3.595 180 D HA 0.022 4.667 4.640 0.009 0.000 0.253 180 D C 1.038 177.340 176.300 0.003 0.000 1.395 180 D CA -0.372 53.629 54.000 0.002 0.000 0.820 180 D CB 0.199 41.002 40.800 0.005 0.000 1.431 180 D HN -0.139 nan 8.370 nan 0.000 0.690 181 R N 0.628 121.129 120.500 0.000 0.000 2.133 181 R HA -0.200 4.145 4.340 0.009 0.000 0.245 181 R C 1.185 177.488 176.300 0.005 0.000 1.137 181 R CA 1.896 57.997 56.100 0.002 0.000 0.947 181 R CB 0.201 30.499 30.300 -0.003 0.000 0.865 181 R HN 0.434 nan 8.270 nan 0.000 0.437 182 E N -1.463 118.740 120.200 0.004 0.000 2.077 182 E HA -0.137 4.218 4.350 0.009 0.000 0.193 182 E C 1.907 178.513 176.600 0.010 0.000 0.989 182 E CA 1.080 57.484 56.400 0.007 0.000 0.800 182 E CB -0.273 29.430 29.700 0.005 0.000 0.746 182 E HN 0.581 nan 8.360 nan 0.000 0.452 183 G N 0.946 109.751 108.800 0.009 0.000 2.432 183 G HA2 -0.215 3.750 3.960 0.009 0.000 0.219 183 G HA3 -0.215 3.750 3.960 0.009 0.000 0.219 183 G C 1.611 176.517 174.900 0.011 0.000 1.135 183 G CA 0.807 45.914 45.100 0.011 0.000 0.767 183 G HN 0.334 nan 8.290 nan 0.000 0.550 184 A N 0.251 123.077 122.820 0.009 0.000 1.874 184 A HA 0.169 4.494 4.320 0.009 0.000 0.214 184 A C 2.565 180.160 177.584 0.018 0.000 1.189 184 A CA 1.523 53.564 52.037 0.007 0.000 0.615 184 A CB -0.642 18.361 19.000 0.006 0.000 0.830 184 A HN 0.219 nan 8.150 nan 0.000 0.443 185 V N 0.595 120.522 119.914 0.021 0.000 2.324 185 V HA -0.317 3.808 4.120 0.009 0.000 0.250 185 V C 2.678 178.791 176.094 0.031 0.000 1.060 185 V CA 2.513 64.829 62.300 0.026 0.000 1.042 185 V CB -0.917 30.916 31.823 0.016 0.000 0.650 185 V HN 0.701 nan 8.190 nan 0.000 0.450 186 R N 0.307 120.823 120.500 0.027 0.000 2.073 186 R HA -0.092 4.253 4.340 0.009 0.000 0.229 186 R C 2.314 178.639 176.300 0.041 0.000 1.120 186 R CA 1.487 57.606 56.100 0.032 0.000 0.967 186 R CB -0.451 29.864 30.300 0.025 0.000 0.862 186 R HN 0.453 nan 8.270 nan 0.000 0.436 187 A N 0.804 123.643 122.820 0.032 0.000 1.933 187 A HA -0.239 4.086 4.320 0.009 0.000 0.218 187 A C 2.104 179.718 177.584 0.049 0.000 1.175 187 A CA 1.554 53.610 52.037 0.031 0.000 0.628 187 A CB -0.609 18.397 19.000 0.010 0.000 0.814 187 A HN 0.578 nan 8.150 nan 0.000 0.444 188 Q N -0.517 119.315 119.800 0.053 0.000 2.046 188 Q HA -0.212 4.133 4.340 0.009 0.000 0.200 188 Q C 1.345 177.428 176.000 0.138 0.000 0.975 188 Q CA 1.690 57.550 55.803 0.095 0.000 0.836 188 Q CB -0.151 28.649 28.738 0.104 0.000 0.896 188 Q HN 0.623 nan 8.270 nan 0.000 0.428 189 D N 0.605 121.068 120.400 0.104 0.000 2.123 189 D HA -0.163 4.482 4.640 0.009 0.000 0.196 189 D C 1.459 177.858 176.300 0.166 0.000 0.992 189 D CA 1.331 55.407 54.000 0.126 0.000 0.833 189 D CB -0.228 40.619 40.800 0.079 0.000 0.954 189 D HN 0.308 nan 8.370 nan 0.000 0.455 190 D N 0.171 120.645 120.400 0.123 0.000 2.097 190 D HA -0.103 4.542 4.640 0.009 0.000 0.197 190 D C 2.150 178.541 176.300 0.153 0.000 0.984 190 D CA 0.242 54.313 54.000 0.118 0.000 0.826 190 D CB -0.434 40.413 40.800 0.079 0.000 0.973 190 D HN 0.108 nan 8.370 nan 0.000 0.460 191 L N -0.030 121.285 121.223 0.154 0.000 2.017 191 L HA -0.117 4.228 4.340 0.009 0.000 0.208 191 L C 2.099 179.097 176.870 0.212 0.000 1.073 191 L CA 1.506 56.453 54.840 0.178 0.000 0.745 191 L CB -0.833 41.314 42.059 0.146 0.000 0.894 191 L HN -0.008 nan 8.230 nan 0.000 0.432 192 F N 0.333 120.322 119.950 0.065 0.000 2.171 192 F HA -0.058 4.473 4.527 0.007 0.000 0.300 192 F C 2.132 177.930 175.800 -0.003 0.000 1.090 192 F CA 1.607 59.614 58.000 0.012 0.000 1.293 192 F CB -0.791 38.199 39.000 -0.017 0.000 1.013 192 F HN 0.153 nan 8.300 nan 0.000 0.486 193 G N -1.103 107.780 108.800 0.137 0.000 2.418 193 G HA2 -0.349 3.616 3.960 0.009 0.000 0.217 193 G HA3 -0.349 3.616 3.960 0.009 0.000 0.217 193 G C 1.537 176.398 174.900 -0.064 0.000 1.158 193 G CA 0.929 46.046 45.100 0.029 0.000 0.771 193 G HN 0.515 nan 8.290 nan 0.000 0.545 194 Y N 1.287 121.554 120.300 -0.055 0.000 2.145 194 Y HA -0.107 4.450 4.550 0.010 0.000 0.286 194 Y C 2.778 178.611 175.900 -0.111 0.000 1.145 194 Y CA 1.616 59.678 58.100 -0.063 0.000 1.148 194 Y CB -0.423 38.019 38.460 -0.031 0.000 0.981 194 Y HN 0.029 nan 8.280 nan 0.000 0.507 195 V N 0.709 120.408 119.914 -0.358 0.000 2.295 195 V HA -0.316 3.809 4.120 0.009 0.000 0.246 195 V C 2.730 178.531 176.094 -0.489 0.000 1.049 195 V CA 1.877 63.933 62.300 -0.406 0.000 1.024 195 V CB -1.660 30.044 31.823 -0.199 0.000 0.648 195 V HN 0.573 nan 8.190 nan 0.000 0.447 196 A N 0.531 122.990 122.820 -0.602 0.000 1.940 196 A HA -0.118 4.207 4.320 0.009 0.000 0.219 196 A C 2.405 179.782 177.584 -0.344 0.000 1.176 196 A CA 1.984 53.697 52.037 -0.540 0.000 0.631 196 A CB -1.180 17.422 19.000 -0.663 0.000 0.814 196 A HN 0.543 nan 8.150 nan 0.000 0.446 197 G N -0.306 108.287 108.800 -0.344 0.000 2.418 197 G HA2 -0.125 3.841 3.960 0.009 0.000 0.217 197 G HA3 -0.125 3.841 3.960 0.009 0.000 0.217 197 G C 1.468 176.214 174.900 -0.257 0.000 1.158 197 G CA 1.170 46.117 45.100 -0.256 0.000 0.771 197 G HN 0.493 nan 8.290 nan 0.000 0.545 198 L N 0.856 121.823 121.223 -0.427 0.000 2.056 198 L HA 0.031 4.376 4.340 0.009 0.000 0.207 198 L C 2.890 179.690 176.870 -0.117 0.000 1.078 198 L CA 1.349 56.009 54.840 -0.300 0.000 0.749 198 L CB -0.548 41.248 42.059 -0.439 0.000 0.901 198 L HN 0.074 nan 8.230 nan 0.000 0.433 199 V N -0.042 119.770 119.914 -0.169 0.000 2.332 199 V HA -0.316 3.809 4.120 0.009 0.000 0.248 199 V C 2.606 178.651 176.094 -0.081 0.000 1.055 199 V CA 2.058 64.291 62.300 -0.111 0.000 1.038 199 V CB -0.651 31.088 31.823 -0.140 0.000 0.651 199 V HN 0.636 nan 8.190 nan 0.000 0.450 200 E N -0.452 119.696 120.200 -0.086 0.000 2.047 200 E HA -0.288 4.067 4.350 0.009 0.000 0.191 200 E C 2.306 178.890 176.600 -0.027 0.000 0.987 200 E CA 1.341 57.708 56.400 -0.056 0.000 0.799 200 E CB -0.348 29.319 29.700 -0.055 0.000 0.752 200 E HN 0.783 nan 8.360 nan 0.000 0.449 201 H N 0.909 119.925 119.070 -0.091 0.000 2.319 201 H HA -0.144 4.417 4.556 0.009 0.000 0.297 201 H C 1.714 177.008 175.328 -0.056 0.000 1.097 201 H CA 1.865 57.872 56.048 -0.068 0.000 1.285 201 H CB 0.175 29.894 29.762 -0.072 0.000 1.368 201 H HN 0.020 nan 8.280 nan 0.000 0.495 202 K N 0.861 121.152 120.400 -0.181 0.000 2.209 202 K HA -0.086 4.239 4.320 0.009 0.000 0.204 202 K C 2.425 178.912 176.600 -0.187 0.000 1.048 202 K CA 0.595 56.747 56.287 -0.225 0.000 0.940 202 K CB -0.216 32.241 32.500 -0.071 0.000 0.729 202 K HN 0.460 nan 8.250 nan 0.000 0.451 203 R N 0.201 120.621 120.500 -0.133 0.000 2.120 203 R HA -0.051 4.294 4.340 0.009 0.000 0.234 203 R C 2.208 178.438 176.300 -0.117 0.000 1.123 203 R CA 1.211 57.252 56.100 -0.099 0.000 0.975 203 R CB -0.225 30.035 30.300 -0.068 0.000 0.866 203 R HN 0.134 nan 8.270 nan 0.000 0.446 204 A N 0.488 123.215 122.820 -0.156 0.000 1.970 204 A HA -0.053 4.272 4.320 0.009 0.000 0.216 204 A C 0.848 178.329 177.584 -0.171 0.000 1.170 204 A CA 0.621 52.576 52.037 -0.137 0.000 0.645 204 A CB 0.254 19.184 19.000 -0.116 0.000 0.816 204 A HN 0.221 nan 8.150 nan 0.000 0.447 205 E N 0.342 120.373 120.200 -0.282 0.000 2.914 205 E HA 0.292 4.647 4.350 0.009 0.000 0.246 205 E C -2.949 173.520 176.600 -0.217 0.000 1.146 205 E CA -2.121 54.128 56.400 -0.252 0.000 0.803 205 E CB 1.402 30.915 29.700 -0.313 0.000 1.409 205 E HN 0.177 nan 8.360 nan 0.000 0.392 206 P HA 0.278 nan 4.420 nan 0.000 0.275 206 P C -0.232 177.033 177.300 -0.059 0.000 1.228 206 P CA -0.191 62.856 63.100 -0.088 0.000 0.786 206 P CB 1.427 33.087 31.700 -0.067 0.000 0.927 207 G N 1.295 110.071 108.800 -0.040 0.000 2.818 207 G HA2 0.573 4.538 3.960 0.009 0.000 0.286 207 G HA3 0.573 4.538 3.960 0.009 0.000 0.286 207 G C -2.787 172.095 174.900 -0.029 0.000 1.364 207 G CA -1.542 43.544 45.100 -0.024 0.000 0.938 207 G HN 0.285 nan 8.290 nan 0.000 0.490 208 P HA 0.238 nan 4.420 nan 0.000 0.237 208 P C -1.398 175.874 177.300 -0.046 0.000 1.788 208 P CA 0.065 63.142 63.100 -0.038 0.000 1.061 208 P CB -0.286 31.395 31.700 -0.033 0.000 1.967 209 D N -0.452 119.918 120.400 -0.050 0.000 2.599 209 D HA 0.239 4.884 4.640 0.009 0.000 0.252 209 D C 0.944 177.206 176.300 -0.063 0.000 1.232 209 D CA -0.877 53.091 54.000 -0.053 0.000 0.819 209 D CB 0.290 41.076 40.800 -0.024 0.000 1.401 209 D HN -0.123 nan 8.370 nan 0.000 0.429 210 I N 0.121 120.649 120.570 -0.070 0.000 2.226 210 I HA -0.203 3.972 4.170 0.009 0.000 0.245 210 I C 2.001 178.100 176.117 -0.030 0.000 1.100 210 I CA 1.017 62.277 61.300 -0.067 0.000 1.374 210 I CB -0.296 37.673 38.000 -0.052 0.000 1.057 210 I HN 0.454 nan 8.210 nan 0.000 0.413 211 I N 0.224 120.785 120.570 -0.015 0.000 2.163 211 I HA -0.333 3.842 4.170 0.009 0.000 0.243 211 I C 2.627 178.730 176.117 -0.025 0.000 1.085 211 I CA 1.560 62.852 61.300 -0.013 0.000 1.347 211 I CB -0.404 37.589 38.000 -0.012 0.000 1.044 211 I HN 0.181 nan 8.210 nan 0.000 0.408 212 S N 0.417 116.098 115.700 -0.032 0.000 2.370 212 S HA -0.194 4.282 4.470 0.009 0.000 0.226 212 S C 2.033 176.611 174.600 -0.038 0.000 1.033 212 S CA 1.316 59.492 58.200 -0.040 0.000 1.011 212 S CB -0.357 62.816 63.200 -0.044 0.000 0.852 212 S HN 0.382 nan 8.310 nan 0.000 0.457 213 R N 0.754 121.230 120.500 -0.041 0.000 2.081 213 R HA 0.072 4.417 4.340 0.009 0.000 0.235 213 R C 2.220 178.504 176.300 -0.027 0.000 1.131 213 R CA 1.021 57.097 56.100 -0.041 0.000 0.960 213 R CB -0.465 29.799 30.300 -0.060 0.000 0.856 213 R HN 0.352 nan 8.270 nan 0.000 0.436 214 L N 0.617 121.829 121.223 -0.018 0.000 2.093 214 L HA -0.138 4.207 4.340 0.009 0.000 0.208 214 L C 1.706 178.573 176.870 -0.005 0.000 1.085 214 L CA 0.845 55.683 54.840 -0.003 0.000 0.755 214 L CB -0.428 41.639 42.059 0.013 0.000 0.904 214 L HN 0.201 nan 8.230 nan 0.000 0.435 215 N N -0.142 118.549 118.700 -0.015 0.000 2.289 215 N HA -0.153 4.592 4.740 0.009 0.000 0.184 215 N C 0.640 176.138 175.510 -0.020 0.000 1.016 215 N CA 0.897 53.935 53.050 -0.020 0.000 0.872 215 N CB -0.342 38.125 38.487 -0.033 0.000 0.973 215 N HN 0.199 nan 8.380 nan 0.000 0.433 216 D N 0.451 120.838 120.400 -0.022 0.000 2.619 216 D HA 0.362 5.007 4.640 0.009 0.000 0.224 216 D C 0.287 176.578 176.300 -0.015 0.000 1.133 216 D CA -0.148 53.839 54.000 -0.021 0.000 1.017 216 D CB -0.552 40.233 40.800 -0.026 0.000 1.077 216 D HN 0.273 nan 8.370 nan 0.000 0.503 217 G N 0.982 109.776 108.800 -0.010 0.000 2.435 217 G HA2 0.145 4.110 3.960 0.009 0.000 0.296 217 G HA3 0.145 4.110 3.960 0.009 0.000 0.296 217 G C -0.693 174.206 174.900 -0.001 0.000 1.240 217 G CA -0.579 44.517 45.100 -0.005 0.000 0.872 217 G HN 0.059 nan 8.290 nan 0.000 0.480 218 E N 0.553 120.756 120.200 0.004 0.000 2.989 218 E HA 0.320 4.675 4.350 0.009 0.000 0.207 218 E C 0.210 176.818 176.600 0.014 0.000 0.989 218 E CA -0.166 56.238 56.400 0.007 0.000 1.186 218 E CB 0.626 30.329 29.700 0.005 0.000 1.141 218 E HN 0.321 nan 8.360 nan 0.000 0.454 219 L N 1.142 122.376 121.223 0.018 0.000 2.439 219 L HA 0.250 4.595 4.340 0.009 0.000 0.261 219 L C 1.124 178.012 176.870 0.031 0.000 1.153 219 L CA -0.445 54.414 54.840 0.030 0.000 0.808 219 L CB 0.655 42.736 42.059 0.038 0.000 1.126 219 L HN 0.037 nan 8.230 nan 0.000 0.460 220 T N -2.841 111.740 114.554 0.045 0.000 2.898 220 T HA 0.037 4.392 4.350 0.009 0.000 0.301 220 T C 0.932 175.662 174.700 0.050 0.000 1.049 220 T CA -0.558 61.571 62.100 0.048 0.000 1.095 220 T CB 1.228 70.134 68.868 0.064 0.000 0.976 220 T HN 0.761 nan 8.240 nan 0.000 0.539 221 E N 0.855 121.076 120.200 0.035 0.000 2.136 221 E HA -0.319 4.036 4.350 0.009 0.000 0.202 221 E C 1.409 178.035 176.600 0.044 0.000 1.019 221 E CA 2.140 58.550 56.400 0.016 0.000 0.819 221 E CB -0.211 29.493 29.700 0.006 0.000 0.739 221 E HN 0.874 nan 8.360 nan 0.000 0.458 222 D N -0.952 119.515 120.400 0.111 0.000 2.117 222 D HA -0.144 4.501 4.640 0.009 0.000 0.198 222 D C 2.088 178.555 176.300 0.278 0.000 0.982 222 D CA 1.218 55.353 54.000 0.226 0.000 0.828 222 D CB 0.007 40.959 40.800 0.254 0.000 0.967 222 D HN -0.020 nan 8.370 nan 0.000 0.464 223 R N -0.098 120.530 120.500 0.213 0.000 2.120 223 R HA -0.055 4.290 4.340 0.009 0.000 0.234 223 R C 1.842 178.244 176.300 0.170 0.000 1.123 223 R CA 0.952 57.177 56.100 0.208 0.000 0.975 223 R CB -0.576 29.802 30.300 0.131 0.000 0.866 223 R HN 0.098 nan 8.270 nan 0.000 0.446 224 V N 0.568 120.543 119.914 0.102 0.000 2.307 224 V HA -0.159 3.966 4.120 0.009 0.000 0.245 224 V C 2.336 178.461 176.094 0.052 0.000 1.045 224 V CA 1.848 64.185 62.300 0.062 0.000 1.024 224 V CB -0.886 30.946 31.823 0.015 0.000 0.651 224 V HN 0.528 nan 8.190 nan 0.000 0.449 225 A N -0.747 122.071 122.820 -0.003 0.000 1.877 225 A HA -0.288 4.037 4.320 0.009 0.000 0.216 225 A C 2.002 179.626 177.584 0.067 0.000 1.186 225 A CA 2.288 54.253 52.037 -0.119 0.000 0.620 225 A CB -0.924 17.771 19.000 -0.509 0.000 0.822 225 A HN 0.698 nan 8.150 nan 0.000 0.443 226 H N -0.521 118.738 119.070 0.315 0.000 2.352 226 H HA -0.054 4.507 4.556 0.008 0.000 0.299 226 H C 1.994 177.450 175.328 0.213 0.000 1.097 226 H CA 1.706 57.941 56.048 0.311 0.000 1.311 226 H CB -0.150 29.754 29.762 0.236 0.000 1.377 226 H HN 0.371 nan 8.280 nan 0.000 0.504 227 L N -0.205 121.187 121.223 0.282 0.000 2.012 227 L HA -0.218 4.127 4.340 0.009 0.000 0.210 227 L C 2.793 179.778 176.870 0.193 0.000 1.073 227 L CA 0.943 55.908 54.840 0.208 0.000 0.748 227 L CB -0.507 41.645 42.059 0.155 0.000 0.891 227 L HN 0.369 nan 8.230 nan 0.000 0.431 228 A N -0.415 122.496 122.820 0.152 0.000 1.902 228 A HA -0.279 4.046 4.320 0.009 0.000 0.217 228 A C 2.311 179.998 177.584 0.172 0.000 1.181 228 A CA 1.998 54.112 52.037 0.128 0.000 0.623 228 A CB -0.525 18.512 19.000 0.060 0.000 0.818 228 A HN 0.446 nan 8.150 nan 0.000 0.443 229 M N -0.272 119.455 119.600 0.211 0.000 2.132 229 M HA -0.058 4.427 4.480 0.009 0.000 0.263 229 M C 2.019 178.536 176.300 0.361 0.000 1.065 229 M CA 1.881 57.346 55.300 0.275 0.000 1.122 229 M CB -0.377 32.429 32.600 0.344 0.000 1.365 229 M HN 0.370 nan 8.290 nan 0.000 0.411 230 G N 0.519 109.550 108.800 0.384 0.000 2.418 230 G HA2 -0.166 3.799 3.960 0.009 0.000 0.217 230 G HA3 -0.166 3.799 3.960 0.009 0.000 0.217 230 G C 1.409 176.520 174.900 0.353 0.000 1.158 230 G CA 0.826 46.185 45.100 0.432 0.000 0.771 230 G HN 0.459 nan 8.290 nan 0.000 0.545 231 L N -0.083 121.294 121.223 0.257 0.000 2.012 231 L HA -0.056 4.289 4.340 0.009 0.000 0.210 231 L C 2.925 179.899 176.870 0.173 0.000 1.073 231 L CA 0.675 55.636 54.840 0.203 0.000 0.748 231 L CB -0.411 41.761 42.059 0.189 0.000 0.891 231 L HN 0.180 nan 8.230 nan 0.000 0.431 232 L N -1.541 119.790 121.223 0.179 0.000 2.042 232 L HA -0.267 4.079 4.340 0.009 0.000 0.210 232 L C 2.522 179.464 176.870 0.120 0.000 1.076 232 L CA 1.384 56.303 54.840 0.133 0.000 0.749 232 L CB -0.464 41.680 42.059 0.142 0.000 0.893 232 L HN 0.182 nan 8.230 nan 0.000 0.432 233 F N 0.349 120.348 119.950 0.082 0.000 2.163 233 F HA -0.115 4.416 4.527 0.006 0.000 0.297 233 F C 2.447 178.303 175.800 0.093 0.000 1.094 233 F CA 1.077 59.104 58.000 0.044 0.000 1.290 233 F CB -0.247 38.740 39.000 -0.021 0.000 1.017 233 F HN -0.023 nan 8.300 nan 0.000 0.483 234 A N -0.203 122.727 122.820 0.184 0.000 1.972 234 A HA -0.049 4.276 4.320 0.009 0.000 0.219 234 A C 2.278 179.847 177.584 -0.026 0.000 1.169 234 A CA 1.641 53.737 52.037 0.099 0.000 0.635 234 A CB -1.606 17.495 19.000 0.169 0.000 0.810 234 A HN 0.464 nan 8.150 nan 0.000 0.446 235 G N -1.660 107.120 108.800 -0.033 0.000 3.088 235 G HA2 0.313 4.278 3.960 0.009 0.000 0.217 235 G HA3 0.313 4.278 3.960 0.009 0.000 0.217 235 G C 1.068 175.906 174.900 -0.103 0.000 1.159 235 G CA 0.694 45.762 45.100 -0.054 0.000 0.760 235 G HN 0.389 nan 8.290 nan 0.000 0.550 236 L N -0.337 120.783 121.223 -0.172 0.000 2.327 236 L HA 0.361 4.707 4.340 0.009 0.000 0.192 236 L C 1.717 178.484 176.870 -0.172 0.000 1.158 236 L CA 1.488 56.222 54.840 -0.176 0.000 0.813 236 L CB -0.345 41.599 42.059 -0.192 0.000 1.021 236 L HN -0.049 nan 8.230 nan 0.000 0.481 237 D N -0.453 119.798 120.400 -0.247 0.000 2.269 237 D HA -0.096 4.549 4.640 0.009 0.000 0.208 237 D C 2.191 178.441 176.300 -0.082 0.000 0.963 237 D CA 1.250 55.166 54.000 -0.140 0.000 0.864 237 D CB 0.181 40.876 40.800 -0.175 0.000 0.936 237 D HN 0.555 nan 8.370 nan 0.000 0.505 238 S N 0.403 116.038 115.700 -0.108 0.000 2.348 238 S HA -0.126 4.349 4.470 0.009 0.000 0.221 238 S C 2.314 176.907 174.600 -0.011 0.000 1.033 238 S CA 0.813 58.987 58.200 -0.044 0.000 1.010 238 S CB -0.824 62.358 63.200 -0.029 0.000 0.891 238 S HN 0.063 nan 8.310 nan 0.000 0.442 239 V N 2.965 122.867 119.914 -0.021 0.000 2.332 239 V HA -0.171 3.954 4.120 0.009 0.000 0.248 239 V C 3.144 179.251 176.094 0.021 0.000 1.055 239 V CA 1.812 64.108 62.300 -0.006 0.000 1.038 239 V CB -1.581 30.212 31.823 -0.050 0.000 0.651 239 V HN 0.681 nan 8.190 nan 0.000 0.450 240 A N -0.655 122.174 122.820 0.015 0.000 1.933 240 A HA -0.227 4.098 4.320 0.009 0.000 0.218 240 A C 2.566 180.249 177.584 0.165 0.000 1.175 240 A CA 2.195 54.273 52.037 0.070 0.000 0.628 240 A CB -0.721 18.290 19.000 0.018 0.000 0.814 240 A HN 0.516 nan 8.150 nan 0.000 0.444 241 S N -0.369 115.407 115.700 0.127 0.000 2.355 241 S HA -0.117 4.359 4.470 0.009 0.000 0.222 241 S C 1.905 176.594 174.600 0.148 0.000 1.031 241 S CA 1.453 59.728 58.200 0.126 0.000 0.993 241 S CB -0.399 62.816 63.200 0.026 0.000 0.859 241 S HN 0.360 nan 8.310 nan 0.000 0.453 242 I N 1.307 121.942 120.570 0.108 0.000 2.286 242 I HA -0.102 4.073 4.170 0.009 0.000 0.248 242 I C 2.478 178.756 176.117 0.268 0.000 1.115 242 I CA 1.352 62.732 61.300 0.134 0.000 1.392 242 I CB -1.263 36.775 38.000 0.064 0.000 1.065 242 I HN 0.463 nan 8.210 nan 0.000 0.418 243 M N 0.369 120.106 119.600 0.228 0.000 2.099 243 M HA -0.211 4.274 4.480 0.009 0.000 0.262 243 M C 1.833 178.361 176.300 0.381 0.000 1.067 243 M CA 1.751 57.230 55.300 0.299 0.000 1.124 243 M CB -0.132 32.539 32.600 0.118 0.000 1.353 243 M HN 0.098 nan 8.290 nan 0.000 0.410 244 D N 0.318 120.900 120.400 0.302 0.000 2.092 244 D HA -0.172 4.473 4.640 0.009 0.000 0.193 244 D C 1.626 178.099 176.300 0.287 0.000 0.994 244 D CA 1.242 55.420 54.000 0.297 0.000 0.828 244 D CB -0.711 40.377 40.800 0.481 0.000 0.963 244 D HN 0.431 nan 8.370 nan 0.000 0.450 245 N N 0.441 119.348 118.700 0.344 0.000 2.244 245 N HA -0.087 4.658 4.740 0.009 0.000 0.183 245 N C 1.942 177.528 175.510 0.127 0.000 1.016 245 N CA 1.069 54.272 53.050 0.255 0.000 0.866 245 N CB -0.228 38.390 38.487 0.217 0.000 0.980 245 N HN 0.204 nan 8.380 nan 0.000 0.430 246 G N 1.022 109.931 108.800 0.181 0.000 2.422 246 G HA2 -0.146 3.819 3.960 0.009 0.000 0.218 246 G HA3 -0.146 3.819 3.960 0.009 0.000 0.218 246 G C 1.759 176.551 174.900 -0.180 0.000 1.146 246 G CA 0.432 45.497 45.100 -0.059 0.000 0.769 246 G HN 0.142 nan 8.290 nan 0.000 0.547 247 V N 0.530 120.504 119.914 0.099 0.000 2.295 247 V HA -0.169 3.956 4.120 0.009 0.000 0.246 247 V C 3.018 179.194 176.094 0.136 0.000 1.049 247 V CA 1.469 63.900 62.300 0.219 0.000 1.024 247 V CB -0.373 31.552 31.823 0.170 0.000 0.648 247 V HN 0.249 nan 8.190 nan 0.000 0.447 248 V N -0.203 119.738 119.914 0.046 0.000 2.287 248 V HA -0.278 3.847 4.120 0.009 0.000 0.248 248 V C 2.296 178.346 176.094 -0.074 0.000 1.053 248 V CA 2.154 64.452 62.300 -0.003 0.000 1.027 248 V CB -0.543 31.281 31.823 0.002 0.000 0.646 248 V HN 0.434 nan 8.190 nan 0.000 0.447 249 L N -1.046 120.068 121.223 -0.182 0.000 2.056 249 L HA -0.140 4.205 4.340 0.009 0.000 0.207 249 L C 2.343 178.950 176.870 -0.439 0.000 1.078 249 L CA 1.381 55.971 54.840 -0.417 0.000 0.749 249 L CB -0.422 41.143 42.059 -0.824 0.000 0.901 249 L HN 0.272 nan 8.230 nan 0.000 0.433 250 L N -0.740 120.232 121.223 -0.418 0.000 2.156 250 L HA -0.124 4.221 4.340 0.009 0.000 0.208 250 L C 2.796 179.435 176.870 -0.386 0.000 1.095 250 L CA 0.896 55.464 54.840 -0.453 0.000 0.770 250 L CB -0.593 41.055 42.059 -0.684 0.000 0.914 250 L HN 0.219 nan 8.230 nan 0.000 0.439 251 A N -0.009 122.703 122.820 -0.180 0.000 1.933 251 A HA -0.131 4.195 4.320 0.009 0.000 0.218 251 A C 2.389 179.917 177.584 -0.093 0.000 1.175 251 A CA 1.646 53.653 52.037 -0.049 0.000 0.628 251 A CB -0.561 18.504 19.000 0.110 0.000 0.814 251 A HN 0.384 nan 8.150 nan 0.000 0.444 252 A N -1.572 121.179 122.820 -0.116 0.000 2.169 252 A HA 0.135 4.460 4.320 0.009 0.000 0.212 252 A C 0.576 177.888 177.584 -0.454 0.000 1.153 252 A CA 0.652 52.556 52.037 -0.222 0.000 0.756 252 A CB -0.373 18.500 19.000 -0.211 0.000 0.813 252 A HN 0.582 nan 8.150 nan 0.000 0.471 253 H N -1.215 117.765 119.070 -0.150 0.000 2.348 253 H HA 0.294 4.855 4.556 0.008 0.000 0.232 253 H C -2.176 173.115 175.328 -0.063 0.000 1.419 253 H CA -1.673 54.333 56.048 -0.070 0.000 1.416 253 H CB 0.603 30.369 29.762 0.006 0.000 1.510 253 H HN 0.157 nan 8.280 nan 0.000 0.507 254 P HA -0.185 nan 4.420 nan 0.000 0.216 254 P C 0.985 178.281 177.300 -0.007 0.000 1.150 254 P CA 1.271 64.349 63.100 -0.037 0.000 0.843 254 P CB 0.518 32.198 31.700 -0.033 0.000 0.787 255 D N -1.202 119.214 120.400 0.026 0.000 2.144 255 D HA -0.138 4.507 4.640 0.009 0.000 0.200 255 D C 2.076 178.399 176.300 0.038 0.000 0.978 255 D CA 1.001 55.019 54.000 0.031 0.000 0.833 255 D CB -0.467 40.358 40.800 0.041 0.000 0.961 255 D HN 0.172 nan 8.370 nan 0.000 0.470 256 Q N 0.448 120.300 119.800 0.087 0.000 2.079 256 Q HA -0.095 4.250 4.340 0.009 0.000 0.200 256 Q C 2.230 178.251 176.000 0.034 0.000 0.974 256 Q CA 0.816 56.672 55.803 0.089 0.000 0.840 256 Q CB -0.383 28.504 28.738 0.247 0.000 0.898 256 Q HN 0.356 nan 8.270 nan 0.000 0.430 257 R N 0.496 120.988 120.500 -0.013 0.000 2.073 257 R HA -0.107 4.238 4.340 0.009 0.000 0.234 257 R C 2.154 178.405 176.300 -0.082 0.000 1.134 257 R CA 1.433 57.450 56.100 -0.139 0.000 0.952 257 R CB -0.267 29.833 30.300 -0.332 0.000 0.850 257 R HN 0.200 nan 8.270 nan 0.000 0.433 258 A N 0.926 123.718 122.820 -0.047 0.000 1.917 258 A HA -0.171 4.154 4.320 0.009 0.000 0.219 258 A C 2.422 180.004 177.584 -0.003 0.000 1.182 258 A CA 1.939 53.966 52.037 -0.016 0.000 0.633 258 A CB -0.943 18.053 19.000 -0.006 0.000 0.819 258 A HN 0.599 nan 8.150 nan 0.000 0.448 259 A N -0.217 122.601 122.820 -0.003 0.000 1.883 259 A HA 0.100 4.426 4.320 0.009 0.000 0.217 259 A C 2.537 180.123 177.584 0.004 0.000 1.186 259 A CA 2.382 54.419 52.037 -0.000 0.000 0.624 259 A CB -1.096 17.900 19.000 -0.007 0.000 0.822 259 A HN 1.135 nan 8.150 nan 0.000 0.444 260 A N -0.490 122.330 122.820 0.000 0.000 1.877 260 A HA -0.021 4.304 4.320 0.009 0.000 0.216 260 A C 2.125 179.732 177.584 0.039 0.000 1.186 260 A CA 1.546 53.594 52.037 0.018 0.000 0.620 260 A CB -0.582 18.426 19.000 0.013 0.000 0.822 260 A HN 0.468 nan 8.150 nan 0.000 0.443 261 L N -0.885 120.358 121.223 0.033 0.000 2.313 261 L HA -0.039 4.306 4.340 0.009 0.000 0.214 261 L C 2.809 179.705 176.870 0.044 0.000 1.119 261 L CA 0.615 55.487 54.840 0.055 0.000 0.809 261 L CB -0.277 41.818 42.059 0.060 0.000 0.933 261 L HN 0.418 nan 8.230 nan 0.000 0.449 262 A N -1.192 121.646 122.820 0.030 0.000 2.066 262 A HA -0.099 4.226 4.320 0.009 0.000 0.218 262 A C 0.480 178.081 177.584 0.028 0.000 1.157 262 A CA 1.020 53.073 52.037 0.026 0.000 0.670 262 A CB -0.108 18.903 19.000 0.018 0.000 0.804 262 A HN 0.374 nan 8.150 nan 0.000 0.453 263 D N -2.734 117.685 120.400 0.032 0.000 2.871 263 D HA 0.236 4.881 4.640 0.009 0.000 0.209 263 D C -2.669 173.654 176.300 0.039 0.000 1.292 263 D CA -1.363 52.656 54.000 0.031 0.000 0.869 263 D CB 1.587 42.400 40.800 0.022 0.000 1.663 263 D HN -0.155 nan 8.370 nan 0.000 0.557 264 P HA -0.008 nan 4.420 nan 0.000 0.225 264 P C 0.466 177.797 177.300 0.052 0.000 1.148 264 P CA 0.748 63.879 63.100 0.052 0.000 0.779 264 P CB 0.562 32.290 31.700 0.047 0.000 0.780 265 D N -0.794 119.630 120.400 0.040 0.000 2.305 265 D HA -0.009 4.636 4.640 0.009 0.000 0.206 265 D C 1.894 178.214 176.300 0.034 0.000 0.974 265 D CA 0.606 54.629 54.000 0.038 0.000 0.871 265 D CB 0.229 41.046 40.800 0.029 0.000 0.947 265 D HN 0.047 nan 8.370 nan 0.000 0.516 266 V N 1.337 121.268 119.914 0.029 0.000 2.591 266 V HA -0.177 3.948 4.120 0.009 0.000 0.249 266 V C 2.314 178.428 176.094 0.033 0.000 1.053 266 V CA 0.882 63.192 62.300 0.017 0.000 1.068 266 V CB -0.201 31.625 31.823 0.005 0.000 0.689 266 V HN 0.097 nan 8.190 nan 0.000 0.462 267 M N 1.385 121.020 119.600 0.059 0.000 2.117 267 M HA -0.072 4.413 4.480 0.009 0.000 0.262 267 M C 2.077 178.446 176.300 0.116 0.000 1.065 267 M CA 2.225 57.584 55.300 0.098 0.000 1.114 267 M CB -0.784 31.888 32.600 0.120 0.000 1.361 267 M HN 0.239 nan 8.290 nan 0.000 0.408 268 A N 0.359 123.237 122.820 0.096 0.000 1.908 268 A HA -0.180 4.146 4.320 0.009 0.000 0.218 268 A C 2.237 179.881 177.584 0.100 0.000 1.181 268 A CA 1.752 53.852 52.037 0.104 0.000 0.627 268 A CB -0.653 18.398 19.000 0.084 0.000 0.818 268 A HN 0.541 nan 8.150 nan 0.000 0.445 269 R N -0.526 120.012 120.500 0.064 0.000 2.092 269 R HA -0.052 4.293 4.340 0.009 0.000 0.231 269 R C 2.423 178.729 176.300 0.010 0.000 1.119 269 R CA 1.315 57.438 56.100 0.037 0.000 0.970 269 R CB -0.933 29.369 30.300 0.003 0.000 0.864 269 R HN 0.536 nan 8.270 nan 0.000 0.440 270 A N 0.779 123.606 122.820 0.011 0.000 1.933 270 A HA -0.090 4.235 4.320 0.009 0.000 0.218 270 A C 2.457 180.090 177.584 0.083 0.000 1.175 270 A CA 1.267 53.290 52.037 -0.023 0.000 0.628 270 A CB -0.499 18.511 19.000 0.016 0.000 0.814 270 A HN 0.091 nan 8.150 nan 0.000 0.444 271 V N 0.471 120.497 119.914 0.186 0.000 2.343 271 V HA -0.217 3.908 4.120 0.009 0.000 0.247 271 V C 2.517 178.711 176.094 0.166 0.000 1.051 271 V CA 2.146 64.613 62.300 0.278 0.000 1.036 271 V CB -0.664 31.324 31.823 0.274 0.000 0.654 271 V HN 0.531 nan 8.190 nan 0.000 0.451 272 E N -0.120 120.161 120.200 0.136 0.000 2.150 272 E HA -0.228 4.127 4.350 0.009 0.000 0.193 272 E C 2.156 178.734 176.600 -0.036 0.000 0.985 272 E CA 1.264 57.745 56.400 0.134 0.000 0.814 272 E CB -0.145 29.706 29.700 0.252 0.000 0.752 272 E HN 0.708 nan 8.360 nan 0.000 0.466 273 E N 0.759 120.916 120.200 -0.071 0.000 2.107 273 E HA -0.076 4.279 4.350 0.009 0.000 0.191 273 E C 2.030 178.594 176.600 -0.060 0.000 0.982 273 E CA 0.510 56.794 56.400 -0.194 0.000 0.809 273 E CB -0.041 29.376 29.700 -0.472 0.000 0.756 273 E HN -0.027 nan 8.360 nan 0.000 0.459 274 V N 0.792 120.765 119.914 0.100 0.000 2.287 274 V HA -0.275 3.850 4.120 0.009 0.000 0.248 274 V C 2.418 178.521 176.094 0.015 0.000 1.053 274 V CA 1.793 64.211 62.300 0.197 0.000 1.027 274 V CB -0.512 31.466 31.823 0.259 0.000 0.646 274 V HN 0.312 nan 8.190 nan 0.000 0.447 275 L N -0.408 120.736 121.223 -0.132 0.000 1.989 275 L HA -0.238 4.107 4.340 0.009 0.000 0.211 275 L C 2.736 179.326 176.870 -0.466 0.000 1.071 275 L CA 2.218 56.823 54.840 -0.392 0.000 0.749 275 L CB -0.645 40.985 42.059 -0.715 0.000 0.890 275 L HN 0.251 nan 8.230 nan 0.000 0.431 276 R N -0.223 119.956 120.500 -0.535 0.000 2.105 276 R HA -0.174 4.171 4.340 0.009 0.000 0.239 276 R C 1.959 178.076 176.300 -0.304 0.000 1.135 276 R CA 2.017 57.859 56.100 -0.429 0.000 0.967 276 R CB -0.157 29.872 30.300 -0.452 0.000 0.861 276 R HN 0.528 nan 8.270 nan 0.000 0.442 277 T N -3.688 110.780 114.554 -0.144 0.000 3.054 277 T HA 0.348 4.703 4.350 0.009 0.000 0.255 277 T C 1.684 176.500 174.700 0.193 0.000 1.035 277 T CA 0.243 62.390 62.100 0.079 0.000 0.941 277 T CB 0.651 69.617 68.868 0.163 0.000 1.026 277 T HN 0.236 nan 8.240 nan 0.000 0.533 278 A N 2.269 125.142 122.820 0.088 0.000 1.903 278 A HA -0.011 4.314 4.320 0.009 0.000 0.219 278 A C 1.237 178.873 177.584 0.086 0.000 1.191 278 A CA 1.036 53.124 52.037 0.085 0.000 0.638 278 A CB -0.197 18.836 19.000 0.055 0.000 0.823 278 A HN 0.379 nan 8.150 nan 0.000 0.451 279 R N -1.713 118.838 120.500 0.085 0.000 2.476 279 R HA 0.576 4.921 4.340 0.009 0.000 0.305 279 R C -0.740 175.607 176.300 0.078 0.000 0.965 279 R CA -0.126 55.998 56.100 0.040 0.000 0.867 279 R CB 0.903 31.201 30.300 -0.003 0.000 1.176 279 R HN 0.234 nan 8.270 nan 0.000 0.447 280 A N 1.679 124.452 122.820 -0.077 0.000 3.126 280 A HA 0.582 4.908 4.320 0.009 0.000 0.268 280 A C 0.405 177.864 177.584 -0.208 0.000 1.605 280 A CA 0.274 52.099 52.037 -0.353 0.000 1.305 280 A CB -0.588 17.847 19.000 -0.941 0.000 1.160 280 A HN 0.862 nan 8.150 nan 0.000 0.609 281 G N -1.129 107.644 108.800 -0.046 0.000 2.576 281 G HA2 0.439 4.405 3.960 0.009 0.000 0.686 281 G HA3 0.439 4.405 3.960 0.009 0.000 0.686 281 G C 0.827 175.721 174.900 -0.010 0.000 1.242 281 G CA 0.290 45.377 45.100 -0.022 0.000 0.819 281 G HN 2.228 nan 8.290 nan 0.000 0.655 282 G N -0.980 107.826 108.800 0.011 0.000 2.199 282 G HA2 -0.066 3.899 3.960 0.009 0.000 0.254 282 G HA3 -0.066 3.899 3.960 0.009 0.000 0.254 282 G C 0.883 175.790 174.900 0.011 0.000 0.982 282 G CA 0.908 46.025 45.100 0.029 0.000 0.632 282 G HN 2.010 nan 8.290 nan 0.000 0.529 283 S N 0.956 116.654 115.700 -0.003 0.000 3.983 283 S HA 0.467 4.942 4.470 0.009 0.000 0.194 283 S C 0.504 175.081 174.600 -0.038 0.000 1.464 283 S CA -0.077 58.119 58.200 -0.008 0.000 1.021 283 S CB 0.824 64.028 63.200 0.006 0.000 1.424 283 S HN 0.506 nan 8.310 nan 0.000 0.473 284 V N 3.772 123.622 119.914 -0.107 0.000 2.432 284 V HA 0.256 4.381 4.120 0.009 0.000 0.271 284 V C 0.522 176.517 176.094 -0.165 0.000 1.046 284 V CA -0.570 61.578 62.300 -0.253 0.000 0.945 284 V CB 0.614 31.992 31.823 -0.742 0.000 0.992 284 V HN 0.584 nan 8.190 nan 0.000 0.471 285 L N 6.132 127.293 121.223 -0.103 0.000 2.476 285 L HA 0.334 4.680 4.340 0.009 0.000 0.255 285 L C -1.890 174.919 176.870 -0.101 0.000 1.218 285 L CA -1.657 53.156 54.840 -0.045 0.000 0.819 285 L CB -0.105 41.970 42.059 0.027 0.000 1.119 285 L HN 0.392 nan 8.230 nan 0.000 0.485 286 P HA 0.003 nan 4.420 nan 0.000 0.267 286 P C -2.412 174.762 177.300 -0.211 0.000 1.195 286 P CA -0.546 62.503 63.100 -0.085 0.000 0.773 286 P CB -0.349 31.319 31.700 -0.054 0.000 0.837 287 P HA 0.198 nan 4.420 nan 0.000 0.269 287 P C -0.360 176.593 177.300 -0.580 0.000 1.209 287 P CA 0.306 63.147 63.100 -0.431 0.000 0.776 287 P CB 0.899 32.402 31.700 -0.328 0.000 0.876 288 R N 1.224 121.224 120.500 -0.832 0.000 2.837 288 R HA 0.648 4.993 4.340 0.009 0.000 0.271 288 R C -0.988 174.752 176.300 -0.933 0.000 0.993 288 R CA -0.590 55.076 56.100 -0.723 0.000 0.931 288 R CB 1.575 31.464 30.300 -0.684 0.000 1.206 288 R HN 0.432 nan 8.270 nan 0.000 0.474 289 Y N -0.430 119.802 120.300 -0.114 0.000 2.524 289 Y HA 0.508 5.063 4.550 0.008 0.000 0.347 289 Y C -0.103 175.787 175.900 -0.016 0.000 1.005 289 Y CA -1.034 57.056 58.100 -0.017 0.000 1.025 289 Y CB 2.109 40.627 38.460 0.097 0.000 1.275 289 Y HN 0.675 nan 8.280 nan 0.000 0.460 290 A N 0.784 123.696 122.820 0.154 0.000 2.477 290 A HA 0.363 4.688 4.320 0.009 0.000 0.246 290 A C 0.922 178.559 177.584 0.088 0.000 1.078 290 A CA 0.329 52.414 52.037 0.079 0.000 0.770 290 A CB 0.016 19.040 19.000 0.041 0.000 1.011 290 A HN 0.932 nan 8.150 nan 0.000 0.494 291 S N 0.568 116.303 115.700 0.059 0.000 2.548 291 S HA 0.240 4.715 4.470 0.009 0.000 0.215 291 S C 0.292 174.899 174.600 0.013 0.000 0.976 291 S CA 0.395 58.617 58.200 0.035 0.000 0.908 291 S CB -0.389 62.840 63.200 0.049 0.000 0.781 291 S HN 0.949 nan 8.310 nan 0.000 0.519 292 E N -0.438 119.773 120.200 0.019 0.000 2.409 292 E HA 0.379 4.734 4.350 0.009 0.000 0.280 292 E C -2.239 174.370 176.600 0.015 0.000 1.079 292 E CA -1.073 55.335 56.400 0.013 0.000 0.840 292 E CB -0.054 29.654 29.700 0.014 0.000 1.309 292 E HN -0.106 nan 8.360 nan 0.000 0.447 293 D N 1.307 121.716 120.400 0.015 0.000 2.372 293 D HA 0.369 5.014 4.640 0.009 0.000 0.243 293 D C -0.156 176.146 176.300 0.004 0.000 1.121 293 D CA 0.524 54.532 54.000 0.014 0.000 0.898 293 D CB 0.666 41.477 40.800 0.019 0.000 1.202 293 D HN 0.468 nan 8.370 nan 0.000 0.428 294 M N -0.835 118.756 119.600 -0.014 0.000 2.413 294 M HA 0.419 4.905 4.480 0.009 0.000 0.287 294 M C -1.126 175.165 176.300 -0.014 0.000 1.186 294 M CA -1.038 54.260 55.300 -0.004 0.000 0.927 294 M CB 2.639 35.238 32.600 -0.002 0.000 1.715 294 M HN -0.137 nan 8.290 nan 0.000 0.478 295 E N 2.510 122.718 120.200 0.013 0.000 2.229 295 E HA 0.568 4.923 4.350 0.009 0.000 0.283 295 E C -1.876 174.765 176.600 0.068 0.000 1.030 295 E CA 0.007 56.407 56.400 0.001 0.000 0.836 295 E CB 1.940 31.633 29.700 -0.012 0.000 1.068 295 E HN 0.659 nan 8.360 nan 0.000 0.401 296 F N 0.076 119.931 119.950 -0.158 0.000 2.604 296 F HA 0.384 4.916 4.527 0.009 0.000 0.316 296 F C 0.691 176.396 175.800 -0.157 0.000 1.136 296 F CA 0.051 57.965 58.000 -0.144 0.000 0.989 296 F CB 1.722 40.625 39.000 -0.161 0.000 1.258 296 F HN 0.558 nan 8.300 nan 0.000 0.451 297 G N 3.014 111.340 108.800 -0.790 0.000 2.225 297 G HA2 0.121 4.086 3.960 0.009 0.000 0.267 297 G HA3 0.121 4.086 3.960 0.009 0.000 0.267 297 G C 1.109 175.862 174.900 -0.245 0.000 1.024 297 G CA 0.939 45.718 45.100 -0.534 0.000 0.784 297 G HN 2.358 nan 8.290 nan 0.000 0.507 298 G N -3.267 105.412 108.800 -0.202 0.000 2.176 298 G HA2 0.111 4.077 3.960 0.009 0.000 0.253 298 G HA3 0.111 4.077 3.960 0.009 0.000 0.253 298 G C 0.965 175.816 174.900 -0.082 0.000 0.979 298 G CA 1.410 46.442 45.100 -0.113 0.000 0.641 298 G HN 2.380 nan 8.290 nan 0.000 0.530 299 V N -3.374 116.466 119.914 -0.123 0.000 3.155 299 V HA 0.974 5.099 4.120 0.009 0.000 0.313 299 V C -0.019 175.972 176.094 -0.171 0.000 1.162 299 V CA -0.213 62.008 62.300 -0.132 0.000 1.048 299 V CB 2.007 33.685 31.823 -0.242 0.000 1.092 299 V HN 0.444 nan 8.190 nan 0.000 0.447 300 T N 2.980 117.451 114.554 -0.138 0.000 2.821 300 T HA 0.600 4.955 4.350 0.009 0.000 0.307 300 T C -0.150 174.446 174.700 -0.172 0.000 1.034 300 T CA 0.026 62.063 62.100 -0.106 0.000 0.953 300 T CB 0.250 69.122 68.868 0.007 0.000 0.968 300 T HN 0.597 nan 8.240 nan 0.000 0.462 301 I N 3.503 123.877 120.570 -0.326 0.000 2.441 301 I HA 0.326 4.501 4.170 0.009 0.000 0.287 301 I C 0.570 176.688 176.117 0.001 0.000 1.049 301 I CA -0.715 60.400 61.300 -0.308 0.000 1.381 301 I CB 0.599 38.305 38.000 -0.490 0.000 1.409 301 I HN 0.205 nan 8.210 nan 0.000 0.523 302 R N 4.475 125.079 120.500 0.174 0.000 2.457 302 R HA 0.511 4.856 4.340 0.009 0.000 0.284 302 R C -0.266 176.104 176.300 0.116 0.000 1.024 302 R CA -0.903 55.281 56.100 0.139 0.000 1.025 302 R CB 0.988 31.396 30.300 0.180 0.000 1.063 302 R HN 0.736 nan 8.270 nan 0.000 0.493 303 A N 1.170 124.028 122.820 0.063 0.000 2.584 303 A HA 0.343 4.669 4.320 0.009 0.000 0.239 303 A C 1.368 178.974 177.584 0.038 0.000 1.043 303 A CA 1.155 53.212 52.037 0.033 0.000 0.756 303 A CB -0.722 18.274 19.000 -0.006 0.000 0.963 303 A HN 0.956 nan 8.150 nan 0.000 0.511 304 G N 2.060 110.879 108.800 0.032 0.000 2.225 304 G HA2 -0.214 3.751 3.960 0.009 0.000 0.254 304 G HA3 -0.214 3.751 3.960 0.009 0.000 0.254 304 G C 0.014 175.108 174.900 0.323 0.000 0.988 304 G CA 0.415 45.542 45.100 0.045 0.000 0.625 304 G HN 0.877 nan 8.290 nan 0.000 0.527 305 D N 0.330 120.913 120.400 0.305 0.000 2.399 305 D HA 0.438 5.083 4.640 0.009 0.000 0.241 305 D C 0.671 177.202 176.300 0.385 0.000 1.133 305 D CA -0.308 53.908 54.000 0.360 0.000 0.890 305 D CB 1.311 42.414 40.800 0.505 0.000 1.201 305 D HN 0.373 nan 8.370 nan 0.000 0.432 306 L N 2.512 123.898 121.223 0.273 0.000 2.331 306 L HA 0.297 4.643 4.340 0.009 0.000 0.278 306 L C -1.025 175.806 176.870 -0.064 0.000 1.106 306 L CA -0.148 54.673 54.840 -0.033 0.000 0.824 306 L CB 1.026 43.066 42.059 -0.032 0.000 1.142 306 L HN 0.091 nan 8.230 nan 0.000 0.443 307 V N 6.813 126.541 119.914 -0.310 0.000 2.444 307 V HA 0.428 4.554 4.120 0.009 0.000 0.294 307 V C -0.002 175.712 176.094 -0.632 0.000 1.022 307 V CA -0.564 61.532 62.300 -0.341 0.000 0.850 307 V CB 1.423 32.985 31.823 -0.435 0.000 0.992 307 V HN 0.650 nan 8.190 nan 0.000 0.426 308 L N 4.899 125.852 121.223 -0.449 0.000 2.322 308 L HA 0.622 4.967 4.340 0.009 0.000 0.279 308 L C -1.124 175.526 176.870 -0.366 0.000 1.036 308 L CA -0.384 54.186 54.840 -0.450 0.000 0.807 308 L CB 1.559 43.469 42.059 -0.248 0.000 1.226 308 L HN 0.440 nan 8.230 nan 0.000 0.433 309 F N 1.151 120.987 119.950 -0.190 0.000 2.434 309 F HA 0.267 4.799 4.527 0.008 0.000 0.355 309 F C 0.047 175.763 175.800 -0.139 0.000 1.115 309 F CA -1.397 56.518 58.000 -0.141 0.000 1.010 309 F CB 1.060 39.965 39.000 -0.158 0.000 1.234 309 F HN 0.305 nan 8.300 nan 0.000 0.439 310 D N 4.063 124.519 120.400 0.094 0.000 2.373 310 D HA 0.261 4.906 4.640 0.009 0.000 0.227 310 D C 0.890 177.232 176.300 0.069 0.000 1.091 310 D CA -0.175 53.841 54.000 0.026 0.000 0.840 310 D CB 1.171 41.974 40.800 0.005 0.000 1.060 310 D HN 0.503 nan 8.370 nan 0.000 0.502 311 L N 3.036 124.292 121.223 0.055 0.000 2.275 311 L HA 0.045 4.390 4.340 0.009 0.000 0.215 311 L C 2.396 179.333 176.870 0.112 0.000 1.119 311 L CA 0.850 55.730 54.840 0.067 0.000 0.790 311 L CB -0.083 42.000 42.059 0.041 0.000 0.919 311 L HN 0.507 nan 8.230 nan 0.000 0.443 312 G N 0.350 109.224 108.800 0.123 0.000 2.450 312 G HA2 -0.214 3.751 3.960 0.009 0.000 0.220 312 G HA3 -0.214 3.751 3.960 0.009 0.000 0.220 312 G C 1.624 176.687 174.900 0.271 0.000 1.130 312 G CA 0.520 45.750 45.100 0.216 0.000 0.760 312 G HN 0.220 nan 8.290 nan 0.000 0.557 313 L N 1.125 122.460 121.223 0.186 0.000 1.976 313 L HA -0.037 4.308 4.340 0.009 0.000 0.209 313 L C 0.437 177.455 176.870 0.245 0.000 1.071 313 L CA 1.487 56.447 54.840 0.201 0.000 0.746 313 L CB -0.970 41.186 42.059 0.161 0.000 0.890 313 L HN 0.179 nan 8.230 nan 0.000 0.432 314 P HA -0.137 nan 4.420 nan 0.000 0.218 314 P C 0.726 178.283 177.300 0.429 0.000 1.149 314 P CA 1.385 64.670 63.100 0.307 0.000 0.817 314 P CB -0.152 31.642 31.700 0.157 0.000 0.785 315 N N -0.968 117.885 118.700 0.256 0.000 2.459 315 N HA -0.022 4.724 4.740 0.009 0.000 0.181 315 N C 0.833 176.072 175.510 -0.452 0.000 1.046 315 N CA 0.753 53.778 53.050 -0.041 0.000 0.904 315 N CB -0.532 37.891 38.487 -0.107 0.000 0.964 315 N HN 0.227 nan 8.380 nan 0.000 0.444 316 F N -0.128 119.840 119.950 0.029 0.000 2.654 316 F HA 0.190 4.723 4.527 0.009 0.000 0.303 316 F C 0.457 176.340 175.800 0.138 0.000 1.099 316 F CA -0.839 57.173 58.000 0.020 0.000 1.270 316 F CB 0.420 39.426 39.000 0.010 0.000 1.024 316 F HN -0.247 nan 8.300 nan 0.000 0.548 317 D N 1.824 122.430 120.400 0.343 0.000 2.346 317 D HA -0.049 4.596 4.640 0.009 0.000 0.260 317 D C 1.343 177.802 176.300 0.264 0.000 1.252 317 D CA 0.221 54.397 54.000 0.294 0.000 0.895 317 D CB 0.714 41.690 40.800 0.294 0.000 1.097 317 D HN 0.592 nan 8.370 nan 0.000 0.489 318 E N 3.297 123.608 120.200 0.185 0.000 2.409 318 E HA -0.167 4.188 4.350 0.009 0.000 0.198 318 E C 1.032 177.672 176.600 0.066 0.000 1.024 318 E CA 0.535 57.017 56.400 0.138 0.000 0.861 318 E CB 0.068 29.835 29.700 0.113 0.000 0.788 318 E HN 0.398 nan 8.360 nan 0.000 0.521 319 R N 0.272 120.801 120.500 0.048 0.000 2.189 319 R HA 0.069 4.415 4.340 0.009 0.000 0.218 319 R C 1.973 178.194 176.300 -0.131 0.000 1.074 319 R CA 1.110 57.199 56.100 -0.019 0.000 0.991 319 R CB 0.063 30.366 30.300 0.006 0.000 0.883 319 R HN 0.273 nan 8.270 nan 0.000 0.457 320 A N -0.170 122.520 122.820 -0.217 0.000 2.167 320 A HA 0.267 4.592 4.320 0.009 0.000 0.208 320 A C 0.016 177.059 177.584 -0.903 0.000 1.198 320 A CA 0.143 51.780 52.037 -0.668 0.000 0.863 320 A CB 0.564 18.874 19.000 -1.151 0.000 0.904 320 A HN 0.087 nan 8.150 nan 0.000 0.484 321 F N 0.000 119.873 119.950 -0.128 0.000 2.547 321 F HA 0.412 4.945 4.527 0.009 0.000 0.316 321 F C -0.027 175.735 175.800 -0.063 0.000 1.121 321 F CA -0.659 57.278 58.000 -0.105 0.000 0.911 321 F CB 1.837 40.766 39.000 -0.119 0.000 1.179 321 F HN -0.251 nan 8.300 nan 0.000 0.443 322 T N 1.991 116.608 114.554 0.105 0.000 2.814 322 T HA 0.425 4.780 4.350 0.009 0.000 0.297 322 T C 0.675 175.423 174.700 0.080 0.000 0.956 322 T CA 0.247 62.386 62.100 0.065 0.000 1.123 322 T CB 0.606 69.491 68.868 0.028 0.000 0.902 322 T HN 1.101 nan 8.240 nan 0.000 0.528 323 G N 6.213 115.056 108.800 0.072 0.000 2.359 323 G HA2 -0.159 3.806 3.960 0.009 0.000 0.298 323 G HA3 -0.159 3.806 3.960 0.009 0.000 0.298 323 G C -0.985 173.952 174.900 0.061 0.000 1.030 323 G CA -0.289 44.850 45.100 0.065 0.000 1.149 323 G HN 0.603 nan 8.290 nan 0.000 0.512 324 P HA -0.063 nan 4.420 nan 0.000 0.225 324 P C 1.178 178.504 177.300 0.044 0.000 1.148 324 P CA 1.159 64.247 63.100 -0.021 0.000 0.779 324 P CB 0.268 31.999 31.700 0.051 0.000 0.780 325 E N -0.361 119.948 120.200 0.182 0.000 2.481 325 E HA -0.014 4.341 4.350 0.009 0.000 0.195 325 E C 0.184 176.891 176.600 0.178 0.000 1.047 325 E CA 0.233 56.788 56.400 0.257 0.000 0.867 325 E CB 0.028 29.845 29.700 0.195 0.000 0.858 325 E HN 0.369 nan 8.360 nan 0.000 0.513 326 E N 0.589 120.849 120.200 0.100 0.000 2.259 326 E HA 0.091 4.446 4.350 0.009 0.000 0.281 326 E C -0.814 175.808 176.600 0.036 0.000 1.027 326 E CA -0.445 56.005 56.400 0.082 0.000 0.838 326 E CB 0.594 30.322 29.700 0.047 0.000 1.066 326 E HN 0.011 nan 8.360 nan 0.000 0.401 327 F N 3.372 123.226 119.950 -0.160 0.000 2.405 327 F HA 0.126 4.659 4.527 0.010 0.000 0.358 327 F C -0.097 175.575 175.800 -0.213 0.000 1.151 327 F CA -0.632 57.193 58.000 -0.293 0.000 1.161 327 F CB 0.415 39.019 39.000 -0.661 0.000 1.245 327 F HN 0.117 nan 8.300 nan 0.000 0.545 328 D N 5.153 125.226 120.400 -0.546 0.000 2.464 328 D HA 0.314 4.959 4.640 0.009 0.000 0.243 328 D C 0.734 176.696 176.300 -0.563 0.000 1.104 328 D CA -0.180 53.579 54.000 -0.402 0.000 0.883 328 D CB 1.467 42.147 40.800 -0.200 0.000 1.050 328 D HN 0.592 nan 8.370 nan 0.000 0.524 329 A N 3.094 125.540 122.820 -0.623 0.000 2.125 329 A HA 0.085 4.410 4.320 0.009 0.000 0.219 329 A C 1.735 179.170 177.584 -0.249 0.000 1.156 329 A CA 1.461 53.191 52.037 -0.511 0.000 0.671 329 A CB -0.098 18.726 19.000 -0.293 0.000 0.794 329 A HN 0.559 nan 8.150 nan 0.000 0.459 330 A N -0.946 121.765 122.820 -0.182 0.000 2.387 330 A HA 0.281 4.606 4.320 0.009 0.000 0.234 330 A C 1.090 178.628 177.584 -0.077 0.000 1.253 330 A CA -0.287 51.693 52.037 -0.095 0.000 0.894 330 A CB -0.296 18.668 19.000 -0.060 0.000 0.963 330 A HN 0.441 nan 8.150 nan 0.000 0.508 331 R N 1.294 121.728 120.500 -0.110 0.000 2.486 331 R HA 0.153 4.498 4.340 0.009 0.000 0.303 331 R C -1.163 175.132 176.300 -0.009 0.000 0.958 331 R CA 1.169 57.233 56.100 -0.059 0.000 1.077 331 R CB -0.102 30.152 30.300 -0.076 0.000 0.921 331 R HN 0.211 nan 8.270 nan 0.000 0.406 332 T N 6.876 121.432 114.554 0.003 0.000 3.237 332 T HA 0.304 4.659 4.350 0.009 0.000 0.319 332 T C -2.154 172.549 174.700 0.004 0.000 1.037 332 T CA -1.116 60.992 62.100 0.013 0.000 1.048 332 T CB 1.652 70.524 68.868 0.007 0.000 1.081 332 T HN 0.590 nan 8.240 nan 0.000 0.455 333 P HA 0.463 nan 4.420 nan 0.000 0.277 333 P C -0.826 176.507 177.300 0.054 0.000 1.276 333 P CA -0.562 62.547 63.100 0.016 0.000 0.788 333 P CB 0.586 32.278 31.700 -0.013 0.000 1.114 334 N N 0.692 119.450 118.700 0.097 0.000 2.675 334 N HA 0.176 4.921 4.740 0.009 0.000 0.254 334 N C -2.579 173.074 175.510 0.239 0.000 1.224 334 N CA -1.540 51.652 53.050 0.237 0.000 0.777 334 N CB 0.771 39.394 38.487 0.227 0.000 1.256 334 N HN 0.134 nan 8.380 nan 0.000 0.531 335 P HA 0.140 nan 4.420 nan 0.000 0.226 335 P C -0.339 177.184 177.300 0.371 0.000 1.758 335 P CA -0.223 62.936 63.100 0.098 0.000 0.896 335 P CB -0.986 30.642 31.700 -0.119 0.000 1.784 336 H N -0.851 118.503 119.070 0.474 0.000 2.836 336 H HA 0.136 4.697 4.556 0.009 0.000 0.368 336 H C 0.424 175.917 175.328 0.275 0.000 1.164 336 H CA -0.387 55.893 56.048 0.387 0.000 1.425 336 H CB 0.456 30.275 29.762 0.095 0.000 1.414 336 H HN -0.003 nan 8.280 nan 0.000 0.614 337 L N 2.048 123.486 121.223 0.359 0.000 3.017 337 L HA 0.137 4.482 4.340 0.009 0.000 0.255 337 L C 1.067 178.064 176.870 0.211 0.000 1.247 337 L CA -0.073 54.896 54.840 0.215 0.000 1.038 337 L CB 0.070 42.152 42.059 0.037 0.000 1.380 337 L HN 0.804 nan 8.230 nan 0.000 0.548 338 T N -0.153 114.584 114.554 0.306 0.000 2.915 338 T HA -0.082 4.273 4.350 0.009 0.000 0.269 338 T C 1.063 175.687 174.700 -0.126 0.000 1.071 338 T CA 1.450 63.534 62.100 -0.027 0.000 1.132 338 T CB -0.195 68.476 68.868 -0.328 0.000 0.878 338 T HN 0.170 nan 8.240 nan 0.000 0.479 339 F N 1.272 121.302 119.950 0.133 0.000 2.645 339 F HA 0.460 4.992 4.527 0.008 0.000 0.300 339 F C 1.726 177.420 175.800 -0.178 0.000 1.115 339 F CA -0.466 57.476 58.000 -0.096 0.000 1.355 339 F CB -0.692 38.169 39.000 -0.231 0.000 1.026 339 F HN 0.281 nan 8.300 nan 0.000 0.536 340 G N 0.060 108.961 108.800 0.168 0.000 2.598 340 G HA2 -0.210 3.755 3.960 0.009 0.000 0.244 340 G HA3 -0.210 3.755 3.960 0.009 0.000 0.244 340 G C -0.827 174.290 174.900 0.361 0.000 1.302 340 G CA -0.202 45.002 45.100 0.173 0.000 0.903 340 G HN 0.519 nan 8.290 nan 0.000 0.575 341 H N -0.777 118.418 119.070 0.209 0.000 3.005 341 H HA 0.513 5.074 4.556 0.008 0.000 0.311 341 H C 0.770 176.092 175.328 -0.009 0.000 1.366 341 H CA 1.092 57.251 56.048 0.186 0.000 1.210 341 H CB 1.185 31.009 29.762 0.103 0.000 1.894 341 H HN 2.608 nan 8.280 nan 0.000 0.520 342 G N 1.664 110.280 108.800 -0.306 0.000 2.527 342 G HA2 -0.309 3.656 3.960 0.009 0.000 0.268 342 G HA3 -0.309 3.656 3.960 0.009 0.000 0.268 342 G C 1.074 175.834 174.900 -0.233 0.000 1.175 342 G CA 0.677 45.561 45.100 -0.360 0.000 0.962 342 G HN 0.893 nan 8.290 nan 0.000 0.560 343 I N -2.883 117.486 120.570 -0.334 0.000 3.684 343 I HA 0.428 4.603 4.170 0.009 0.000 0.304 343 I C 0.842 176.644 176.117 -0.525 0.000 1.278 343 I CA 0.167 61.181 61.300 -0.476 0.000 1.272 343 I CB -0.067 37.572 38.000 -0.601 0.000 1.029 343 I HN 0.281 nan 8.210 nan 0.000 0.458 344 W N 2.510 123.869 121.300 0.099 0.000 1.967 344 W HA 0.454 5.119 4.660 0.009 0.000 0.296 344 W C 0.206 176.782 176.519 0.094 0.000 0.817 344 W CA -0.516 56.905 57.345 0.126 0.000 1.981 344 W CB -0.138 29.365 29.460 0.072 0.000 2.207 344 W HN 0.068 nan 8.180 nan 0.000 0.374 345 H N 0.755 119.900 119.070 0.124 0.000 2.600 345 H HA 0.258 4.819 4.556 0.009 0.000 0.357 345 H C -0.033 175.325 175.328 0.050 0.000 1.106 345 H CA -1.047 55.041 56.048 0.066 0.000 1.193 345 H CB 2.169 31.896 29.762 -0.059 0.000 1.594 345 H HN 0.162 nan 8.280 nan 0.000 0.526 346 C N 6.665 125.676 119.300 -0.483 0.000 2.638 346 C HA 0.040 4.505 4.460 0.009 0.000 0.410 346 C C 2.182 177.037 174.990 -0.224 0.000 1.404 346 C CA -0.190 58.663 59.018 -0.274 0.000 1.651 346 C CB -2.217 25.361 27.740 -0.271 0.000 2.495 346 C HN 0.755 nan 8.230 nan 0.000 0.606 347 I N 3.904 124.382 120.570 -0.153 0.000 3.059 347 I HA 0.280 4.455 4.170 0.009 0.000 0.270 347 I C 1.812 177.596 176.117 -0.556 0.000 1.238 347 I CA 1.531 62.724 61.300 -0.179 0.000 1.478 347 I CB -0.553 37.421 38.000 -0.043 0.000 1.097 347 I HN 0.625 nan 8.210 nan 0.000 0.455 348 G N 0.382 108.784 108.800 -0.663 0.000 2.985 348 G HA2 0.271 4.236 3.960 0.009 0.000 0.209 348 G HA3 0.271 4.236 3.960 0.009 0.000 0.209 348 G C 1.628 176.113 174.900 -0.692 0.000 1.165 348 G CA 0.380 44.855 45.100 -1.042 0.000 0.776 348 G HN 0.517 nan 8.290 nan 0.000 0.541 349 A N 1.930 124.347 122.820 -0.671 0.000 1.948 349 A HA 0.001 4.326 4.320 0.009 0.000 0.220 349 A C 0.608 177.890 177.584 -0.503 0.000 1.177 349 A CA 1.657 53.120 52.037 -0.956 0.000 0.636 349 A CB -0.877 17.255 19.000 -1.446 0.000 0.815 349 A HN 0.351 nan 8.150 nan 0.000 0.449 350 P HA -0.102 nan 4.420 nan 0.000 0.217 350 P C 1.616 178.898 177.300 -0.030 0.000 1.150 350 P CA 0.703 63.744 63.100 -0.098 0.000 0.832 350 P CB -0.055 31.650 31.700 0.008 0.000 0.787 351 L N -0.276 120.926 121.223 -0.033 0.000 2.072 351 L HA 0.031 4.376 4.340 0.009 0.000 0.205 351 L C 2.221 179.082 176.870 -0.015 0.000 1.079 351 L CA 1.831 56.693 54.840 0.036 0.000 0.752 351 L CB -1.606 40.533 42.059 0.132 0.000 0.906 351 L HN -0.136 nan 8.230 nan 0.000 0.436 352 A N -0.102 122.684 122.820 -0.057 0.000 1.883 352 A HA -0.252 4.073 4.320 0.009 0.000 0.217 352 A C 2.426 180.064 177.584 0.090 0.000 1.186 352 A CA 2.023 54.080 52.037 0.033 0.000 0.624 352 A CB -0.604 18.489 19.000 0.154 0.000 0.822 352 A HN 0.507 nan 8.150 nan 0.000 0.444 353 R N -1.182 119.382 120.500 0.107 0.000 2.083 353 R HA -0.146 4.199 4.340 0.009 0.000 0.237 353 R C 2.161 178.509 176.300 0.080 0.000 1.137 353 R CA 1.488 57.670 56.100 0.137 0.000 0.951 353 R CB -0.666 29.715 30.300 0.135 0.000 0.851 353 R HN 0.511 nan 8.270 nan 0.000 0.434 354 L N 1.742 123.000 121.223 0.059 0.000 2.012 354 L HA -0.206 4.140 4.340 0.009 0.000 0.210 354 L C 1.795 178.706 176.870 0.069 0.000 1.073 354 L CA 1.870 56.746 54.840 0.061 0.000 0.748 354 L CB -0.387 41.707 42.059 0.058 0.000 0.891 354 L HN 0.156 nan 8.230 nan 0.000 0.431 355 E N -0.506 119.727 120.200 0.056 0.000 2.058 355 E HA -0.243 4.112 4.350 0.009 0.000 0.194 355 E C 2.244 178.887 176.600 0.072 0.000 0.997 355 E CA 1.725 58.193 56.400 0.113 0.000 0.801 355 E CB -0.334 29.346 29.700 -0.033 0.000 0.746 355 E HN 0.537 nan 8.360 nan 0.000 0.450 356 L N 0.542 121.720 121.223 -0.075 0.000 1.994 356 L HA -0.207 4.138 4.340 0.009 0.000 0.208 356 L C 2.648 179.311 176.870 -0.344 0.000 1.071 356 L CA 1.361 55.978 54.840 -0.373 0.000 0.745 356 L CB -0.432 41.487 42.059 -0.232 0.000 0.892 356 L HN 0.051 nan 8.230 nan 0.000 0.431 357 R N -0.697 119.775 120.500 -0.047 0.000 2.091 357 R HA -0.134 4.211 4.340 0.009 0.000 0.238 357 R C 2.308 178.630 176.300 0.037 0.000 1.136 357 R CA 1.893 58.031 56.100 0.062 0.000 0.959 357 R CB -0.803 29.549 30.300 0.087 0.000 0.856 357 R HN 0.363 nan 8.270 nan 0.000 0.437 358 T N 1.147 115.713 114.554 0.019 0.000 2.674 358 T HA -0.180 4.175 4.350 0.009 0.000 0.265 358 T C 1.730 176.387 174.700 -0.072 0.000 1.039 358 T CA 1.564 63.673 62.100 0.014 0.000 1.150 358 T CB -0.159 68.761 68.868 0.085 0.000 0.864 358 T HN 0.088 nan 8.240 nan 0.000 0.427 359 M N 0.522 120.022 119.600 -0.166 0.000 2.156 359 M HA 0.094 4.579 4.480 0.009 0.000 0.264 359 M C 1.519 177.778 176.300 -0.068 0.000 1.067 359 M CA 1.264 56.394 55.300 -0.284 0.000 1.131 359 M CB -0.752 31.592 32.600 -0.426 0.000 1.368 359 M HN 0.121 nan 8.290 nan 0.000 0.416 360 F N -0.010 119.956 119.950 0.027 0.000 2.091 360 F HA -0.229 4.302 4.527 0.007 0.000 0.299 360 F C 2.441 178.330 175.800 0.148 0.000 1.103 360 F CA 1.831 59.915 58.000 0.140 0.000 1.228 360 F CB -2.047 37.081 39.000 0.213 0.000 0.984 360 F HN 0.167 nan 8.300 nan 0.000 0.477 361 T N -0.049 114.666 114.554 0.268 0.000 2.674 361 T HA -0.173 4.183 4.350 0.009 0.000 0.265 361 T C 2.006 176.764 174.700 0.096 0.000 1.039 361 T CA 1.582 63.789 62.100 0.178 0.000 1.150 361 T CB -0.211 68.726 68.868 0.115 0.000 0.864 361 T HN 0.187 nan 8.240 nan 0.000 0.427 362 K N 0.659 121.064 120.400 0.008 0.000 2.057 362 K HA 0.081 4.406 4.320 0.009 0.000 0.206 362 K C 2.318 178.855 176.600 -0.105 0.000 1.050 362 K CA 0.856 57.108 56.287 -0.059 0.000 0.935 362 K CB -0.371 32.055 32.500 -0.123 0.000 0.715 362 K HN 0.210 nan 8.250 nan 0.000 0.439 363 L N -0.188 120.937 121.223 -0.163 0.000 1.989 363 L HA -0.214 4.131 4.340 0.009 0.000 0.211 363 L C 2.185 178.849 176.870 -0.343 0.000 1.071 363 L CA 1.533 56.175 54.840 -0.329 0.000 0.749 363 L CB -0.255 41.526 42.059 -0.463 0.000 0.890 363 L HN 0.135 nan 8.230 nan 0.000 0.431 364 F N -1.021 118.929 119.950 -0.001 0.000 2.456 364 F HA -0.102 4.431 4.527 0.009 0.000 0.298 364 F C 2.536 178.335 175.800 -0.002 0.000 1.104 364 F CA 0.942 58.943 58.000 0.002 0.000 1.435 364 F CB -0.859 38.152 39.000 0.018 0.000 1.078 364 F HN -0.007 nan 8.300 nan 0.000 0.546 365 T N -0.187 114.440 114.554 0.121 0.000 2.737 365 T HA -0.144 4.211 4.350 0.009 0.000 0.265 365 T C 2.113 176.825 174.700 0.020 0.000 1.038 365 T CA 1.378 63.518 62.100 0.067 0.000 1.144 365 T CB -0.130 68.763 68.868 0.041 0.000 0.866 365 T HN 0.197 nan 8.240 nan 0.000 0.434 366 R N 0.184 120.660 120.500 -0.039 0.000 2.127 366 R HA 0.223 4.569 4.340 0.009 0.000 0.217 366 R C 0.435 176.676 176.300 -0.097 0.000 1.074 366 R CA 0.643 56.699 56.100 -0.074 0.000 0.991 366 R CB 0.051 30.279 30.300 -0.120 0.000 0.895 366 R HN 0.300 nan 8.270 nan 0.000 0.450 367 L N 1.310 122.454 121.223 -0.132 0.000 2.581 367 L HA 0.303 4.648 4.340 0.009 0.000 0.241 367 L C -2.082 174.816 176.870 0.047 0.000 1.265 367 L CA -1.631 53.130 54.840 -0.131 0.000 0.954 367 L CB 1.634 43.461 42.059 -0.387 0.000 1.269 367 L HN -0.156 nan 8.230 nan 0.000 0.475 368 P HA -0.163 nan 4.420 nan 0.000 0.218 368 P C 0.884 178.333 177.300 0.248 0.000 1.148 368 P CA 1.254 64.478 63.100 0.207 0.000 0.822 368 P CB 0.335 32.112 31.700 0.128 0.000 0.784 369 E N -1.044 119.281 120.200 0.208 0.000 2.463 369 E HA 0.082 4.437 4.350 0.009 0.000 0.193 369 E C 0.536 177.286 176.600 0.250 0.000 1.041 369 E CA -0.527 55.993 56.400 0.201 0.000 0.879 369 E CB -0.456 29.335 29.700 0.152 0.000 0.997 369 E HN 0.175 nan 8.360 nan 0.000 0.478 370 L N 3.093 124.482 121.223 0.276 0.000 2.678 370 L HA -0.128 4.217 4.340 0.009 0.000 0.285 370 L C 0.293 177.327 176.870 0.273 0.000 1.233 370 L CA 1.059 56.051 54.840 0.254 0.000 0.920 370 L CB 0.003 42.053 42.059 -0.015 0.000 1.176 370 L HN 0.134 nan 8.230 nan 0.000 0.495 371 R N 4.183 124.813 120.500 0.216 0.000 2.664 371 R HA 0.602 4.948 4.340 0.009 0.000 0.266 371 R C -3.036 173.324 176.300 0.101 0.000 1.046 371 R CA -1.722 54.467 56.100 0.149 0.000 0.885 371 R CB 0.928 31.293 30.300 0.109 0.000 1.254 371 R HN 0.314 nan 8.270 nan 0.000 0.465 372 P HA -0.012 nan 4.420 nan 0.000 0.269 372 P C -0.240 177.067 177.300 0.012 0.000 1.209 372 P CA -0.001 63.107 63.100 0.013 0.000 0.776 372 P CB 1.027 32.703 31.700 -0.039 0.000 0.876 373 E N 1.644 121.846 120.200 0.004 0.000 2.047 373 E HA -0.072 4.283 4.350 0.009 0.000 0.191 373 E C 0.341 176.931 176.600 -0.016 0.000 0.987 373 E CA 0.619 57.014 56.400 -0.009 0.000 0.799 373 E CB -0.026 29.664 29.700 -0.016 0.000 0.752 373 E HN 0.392 nan 8.360 nan 0.000 0.449 374 L N 2.320 123.531 121.223 -0.021 0.000 2.399 374 L HA 0.277 4.622 4.340 0.009 0.000 0.266 374 L C -2.026 174.832 176.870 -0.019 0.000 1.114 374 L CA -2.261 52.568 54.840 -0.019 0.000 0.804 374 L CB 0.397 42.445 42.059 -0.019 0.000 1.146 374 L HN 0.043 nan 8.230 nan 0.000 0.451 375 P HA -0.078 nan 4.420 nan 0.000 0.265 375 P C 0.885 178.180 177.300 -0.009 0.000 1.193 375 P CA 0.070 63.162 63.100 -0.013 0.000 0.765 375 P CB 0.890 32.584 31.700 -0.009 0.000 0.823 376 V N 3.229 123.138 119.914 -0.008 0.000 2.313 376 V HA -0.283 3.842 4.120 0.009 0.000 0.253 376 V C 2.228 178.339 176.094 0.028 0.000 1.070 376 V CA 2.622 64.926 62.300 0.006 0.000 1.057 376 V CB -0.874 30.956 31.823 0.011 0.000 0.653 376 V HN 0.740 nan 8.190 nan 0.000 0.450 377 E N -0.600 119.611 120.200 0.019 0.000 2.472 377 E HA -0.272 4.083 4.350 0.009 0.000 0.200 377 E C 1.730 178.345 176.600 0.026 0.000 1.046 377 E CA 1.412 57.826 56.400 0.023 0.000 0.871 377 E CB -0.348 29.358 29.700 0.011 0.000 0.806 377 E HN 0.799 nan 8.360 nan 0.000 0.533 378 Q N 0.315 120.128 119.800 0.021 0.000 2.319 378 Q HA 0.281 4.627 4.340 0.009 0.000 0.202 378 Q C 0.293 176.313 176.000 0.033 0.000 0.896 378 Q CA -0.283 55.533 55.803 0.021 0.000 0.942 378 Q CB 0.468 29.211 28.738 0.008 0.000 1.083 378 Q HN 0.240 nan 8.270 nan 0.000 0.510 379 L N 1.738 122.991 121.223 0.049 0.000 2.490 379 L HA 0.063 4.408 4.340 0.009 0.000 0.274 379 L C 0.253 177.215 176.870 0.153 0.000 1.201 379 L CA 0.435 55.323 54.840 0.080 0.000 0.869 379 L CB 0.271 42.375 42.059 0.074 0.000 1.123 379 L HN 0.016 nan 8.230 nan 0.000 0.484 380 R N 2.753 123.345 120.500 0.154 0.000 2.346 380 R HA 0.501 4.846 4.340 0.009 0.000 0.311 380 R C -0.982 175.418 176.300 0.167 0.000 0.983 380 R CA -0.971 55.204 56.100 0.125 0.000 0.880 380 R CB 1.387 31.730 30.300 0.070 0.000 1.100 380 R HN 0.316 nan 8.270 nan 0.000 0.453 381 L N 2.790 124.054 121.223 0.068 0.000 2.375 381 L HA 0.282 4.627 4.340 0.009 0.000 0.271 381 L C 0.252 177.110 176.870 -0.019 0.000 1.107 381 L CA -0.220 54.601 54.840 -0.032 0.000 0.806 381 L CB 0.822 42.815 42.059 -0.109 0.000 1.146 381 L HN 0.342 nan 8.230 nan 0.000 0.447 382 K N 1.673 122.050 120.400 -0.039 0.000 2.382 382 K HA 0.146 4.472 4.320 0.009 0.000 0.275 382 K C -0.395 176.200 176.600 -0.008 0.000 1.009 382 K CA 0.311 56.591 56.287 -0.012 0.000 0.970 382 K CB 0.392 32.887 32.500 -0.007 0.000 0.934 382 K HN 0.538 nan 8.250 nan 0.000 0.479 383 E N 1.241 121.442 120.200 0.002 0.000 2.227 383 E HA 0.365 4.720 4.350 0.009 0.000 0.268 383 E C 0.125 176.730 176.600 0.007 0.000 0.990 383 E CA -0.198 56.202 56.400 0.000 0.000 0.856 383 E CB 1.388 31.086 29.700 -0.003 0.000 1.159 383 E HN 0.795 nan 8.360 nan 0.000 0.401 384 G N 1.921 110.723 108.800 0.003 0.000 2.198 384 G HA2 -0.252 3.713 3.960 0.009 0.000 0.260 384 G HA3 -0.252 3.713 3.960 0.009 0.000 0.260 384 G C -0.221 174.693 174.900 0.023 0.000 1.025 384 G CA 0.054 45.158 45.100 0.007 0.000 0.769 384 G HN 0.271 nan 8.290 nan 0.000 0.507 385 Q N -0.835 118.988 119.800 0.037 0.000 2.275 385 Q HA 0.432 4.777 4.340 0.009 0.000 0.266 385 Q C -0.170 175.889 176.000 0.098 0.000 1.002 385 Q CA -0.949 54.894 55.803 0.066 0.000 0.761 385 Q CB 2.048 30.827 28.738 0.068 0.000 1.255 385 Q HN 0.435 nan 8.270 nan 0.000 0.446 386 L N 1.979 123.281 121.223 0.131 0.000 2.540 386 L HA 0.004 4.349 4.340 0.009 0.000 0.276 386 L C 0.778 177.817 176.870 0.281 0.000 1.212 386 L CA 1.392 56.350 54.840 0.197 0.000 0.893 386 L CB 0.469 42.649 42.059 0.201 0.000 1.138 386 L HN 0.844 nan 8.230 nan 0.000 0.491 387 S N 2.481 118.311 115.700 0.216 0.000 3.587 387 S HA -0.185 4.290 4.470 0.009 0.000 0.337 387 S C 1.339 175.987 174.600 0.080 0.000 1.119 387 S CA 0.951 59.237 58.200 0.143 0.000 0.976 387 S CB -1.437 61.854 63.200 0.151 0.000 0.922 387 S HN 1.228 nan 8.310 nan 0.000 0.503 388 G N 0.304 109.145 108.800 0.067 0.000 2.448 388 G HA2 0.370 4.335 3.960 0.009 0.000 0.218 388 G HA3 0.370 4.335 3.960 0.009 0.000 0.218 388 G C 1.340 176.234 174.900 -0.010 0.000 1.135 388 G CA 0.910 46.036 45.100 0.044 0.000 0.784 388 G HN 1.790 nan 8.290 nan 0.000 0.543 389 G N -0.388 108.361 108.800 -0.086 0.000 2.601 389 G HA2 -0.213 3.752 3.960 0.009 0.000 0.261 389 G HA3 -0.213 3.752 3.960 0.009 0.000 0.261 389 G C -0.135 174.568 174.900 -0.327 0.000 1.289 389 G CA -0.213 44.761 45.100 -0.211 0.000 0.920 389 G HN 0.376 nan 8.290 nan 0.000 0.571 390 F N 1.399 121.174 119.950 -0.293 0.000 2.471 390 F HA 0.472 5.002 4.527 0.005 0.000 0.353 390 F C 1.823 177.363 175.800 -0.435 0.000 1.113 390 F CA 0.566 58.368 58.000 -0.331 0.000 1.262 390 F CB 1.124 39.939 39.000 -0.308 0.000 1.146 390 F HN 0.740 nan 8.300 nan 0.000 0.578 391 A N 1.995 124.815 122.820 0.000 0.000 1.930 391 A HA -0.015 4.311 4.320 0.009 0.000 0.217 391 A C 0.508 178.101 177.584 0.016 0.000 1.175 391 A CA 1.349 53.384 52.037 -0.004 0.000 0.627 391 A CB -0.411 18.610 19.000 0.034 0.000 0.815 391 A HN 0.723 nan 8.150 nan 0.000 0.443 392 E N -2.007 118.211 120.200 0.030 0.000 2.407 392 E HA 0.483 4.838 4.350 0.009 0.000 0.279 392 E C -1.937 174.659 176.600 -0.008 0.000 1.012 392 E CA -0.858 55.577 56.400 0.058 0.000 0.800 392 E CB 0.923 30.662 29.700 0.065 0.000 1.276 392 E HN 0.167 nan 8.360 nan 0.000 0.452 393 L N 1.497 122.727 121.223 0.013 0.000 2.481 393 L HA 0.384 4.729 4.340 0.009 0.000 0.255 393 L C -0.803 176.070 176.870 0.004 0.000 1.192 393 L CA -0.255 54.514 54.840 -0.118 0.000 0.924 393 L CB 0.641 42.550 42.059 -0.250 0.000 1.179 393 L HN 0.505 nan 8.230 nan 0.000 0.491 394 R N 1.907 122.415 120.500 0.012 0.000 2.449 394 R HA 0.552 4.897 4.340 0.009 0.000 0.296 394 R C -0.358 175.985 176.300 0.072 0.000 1.047 394 R CA -0.009 56.129 56.100 0.064 0.000 1.018 394 R CB 0.855 31.172 30.300 0.029 0.000 0.962 394 R HN 0.475 nan 8.270 nan 0.000 0.428 395 V N 0.686 120.699 119.914 0.165 0.000 2.960 395 V HA 0.785 4.910 4.120 0.009 0.000 0.315 395 V C 0.008 176.209 176.094 0.179 0.000 1.087 395 V CA -0.973 61.445 62.300 0.197 0.000 0.982 395 V CB 1.855 33.856 31.823 0.296 0.000 1.039 395 V HN 0.529 nan 8.190 nan 0.000 0.437 396 V N 0.012 120.010 119.914 0.141 0.000 3.113 396 V HA 1.010 5.135 4.120 0.009 0.000 0.316 396 V C -0.716 175.509 176.094 0.217 0.000 1.125 396 V CA -0.523 61.767 62.300 -0.017 0.000 1.026 396 V CB 1.539 33.300 31.823 -0.102 0.000 1.080 396 V HN 1.639 nan 8.190 nan 0.000 0.444 397 W N 0.000 121.297 121.300 -0.005 0.000 2.388 397 W HA 0.000 4.664 4.660 0.007 0.000 0.303 397 W CA 0.000 57.350 57.345 0.008 0.000 1.226 397 W CB 0.000 29.467 29.460 0.011 0.000 1.126 397 W HN 0.000 nan 8.180 nan 0.000 0.535