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 3lw5_1_A DATA FIRST_RESID 21 DATA SEQUENCE LVDRDPIKTS FEQWAKPGHF SRTIAKGPDT TTWIWNLHAD AHDFDSHTSD DATA SEQUENCE LEEISRKVFS AHFGQLSIIF LWLSGMYFHG ARFSNYEAWL NDPTHIGPSA DATA SEQUENCE QVVWPIVGQE ILNGDVGGGF RGIQITSGFF QIWRASGITS ELQLYCTAIG DATA SEQUENCE ALVFAGLMLF AGWFHYHKAA PKLAWFQDVE SMLNHHLAGL LGLGSLSWAR DATA SEQUENCE HQVHVSLPIN QFLNAGVDPK EIPLPHEFIL NRDLLAQLYP SFAEGATPFF DATA SEQUENCE TLNWSKYADF LTFRGGLDPL TGGLWLTDIA HHHLAIAILF LIAGHMYRXX DATA SEQUENCE XXXXXXIKDI LEAHKGPFTG QGHKGLYEIL TTSWHAQLSI NLAMLGSLTI DATA SEQUENCE VVAQHMYSMP PYPYLATDYA TQLSLFTHHM WIGGFLIVGA AAHAAIFMVR DATA SEQUENCE DYDPTTRYND LLDRVLRHRD AIISHLNWVC IFLGFHSFGL YIHNDTMSAL DATA SEQUENCE GRPQDMFSDT AIQLQPVFAQ WIQNTHALAP GTTAPGATAS TSLTWGGGDL DATA SEQUENCE VAVGNKVALL PIPLGTADFL VHHIHAFTIH VTVLILLKGV LFARSSRLIP DATA SEQUENCE DKANLGFRFP CDGPGRGGTC QVSAWDHVFL GLFWMYNSIS VVIFHFSWKM DATA SEQUENCE QSDVWGTIND QGVVTHITAG NFAQSSITIN GWLRDFLWAQ ASQVIQSYGS DATA SEQUENCE SLSAYGLFFL GAHFVWAFSL MFLFSGRGYW QELIESIVWA HNKLKVAPAT DATA SEQUENCE QPRALSIVQG RAVGVTHYLL GGIATTWAFF LARIIAVG 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 21 L HA 0.000 nan 4.340 nan 0.000 0.249 21 L C 0.000 176.894 176.870 0.039 0.000 1.165 21 L CA 0.000 54.864 54.840 0.040 0.000 0.813 21 L CB 0.000 42.096 42.059 0.062 0.000 0.961 22 V N -0.443 119.490 119.914 0.032 0.000 1.811 22 V HA -0.351 3.768 4.120 -0.001 0.000 0.070 22 V C 0.785 176.891 176.094 0.021 0.000 0.464 22 V CA 2.284 64.599 62.300 0.025 0.000 1.436 22 V CB -0.758 31.078 31.823 0.021 0.000 1.695 22 V HN 1.047 nan 8.190 nan 0.000 0.836 23 D N 1.174 121.587 120.400 0.022 0.000 2.304 23 D HA 0.250 4.890 4.640 -0.001 0.000 0.247 23 D C 0.256 176.574 176.300 0.030 0.000 1.089 23 D CA -0.432 53.580 54.000 0.020 0.000 0.910 23 D CB 0.966 41.776 40.800 0.016 0.000 1.199 23 D HN 0.580 nan 8.370 nan 0.000 0.426 24 R N 2.947 123.469 120.500 0.036 0.000 2.221 24 R HA 0.345 4.684 4.340 -0.001 0.000 0.327 24 R C -0.283 176.039 176.300 0.037 0.000 1.033 24 R CA -0.721 55.400 56.100 0.036 0.000 0.887 24 R CB -0.375 29.949 30.300 0.040 0.000 1.057 24 R HN 0.362 nan 8.270 nan 0.000 0.455 25 D N 2.612 123.030 120.400 0.030 0.000 2.384 25 D HA 0.154 4.793 4.640 -0.001 0.000 0.244 25 D C -1.021 175.293 176.300 0.023 0.000 1.251 25 D CA -1.149 52.867 54.000 0.026 0.000 0.961 25 D CB 0.698 41.513 40.800 0.025 0.000 1.116 25 D HN 0.285 nan 8.370 nan 0.000 0.484 26 P HA -0.057 nan 4.420 nan 0.000 0.215 26 P C -0.077 177.231 177.300 0.014 0.000 1.157 26 P CA 1.173 64.282 63.100 0.014 0.000 0.874 26 P CB 0.181 31.886 31.700 0.008 0.000 0.790 27 I N -0.745 119.833 120.570 0.013 0.000 2.557 27 I HA 0.205 4.374 4.170 -0.001 0.000 0.277 27 I C 0.059 176.182 176.117 0.009 0.000 1.106 27 I CA -0.189 61.116 61.300 0.008 0.000 1.180 27 I CB 0.303 38.306 38.000 0.004 0.000 1.392 27 I HN -0.022 nan 8.210 nan 0.000 0.506 28 K N 0.220 120.627 120.400 0.011 0.000 3.242 28 K HA -0.089 4.231 4.320 -0.001 0.000 0.223 28 K C 0.260 176.888 176.600 0.047 0.000 1.242 28 K CA 0.181 56.481 56.287 0.022 0.000 0.857 28 K CB -0.677 31.838 32.500 0.025 0.000 1.859 28 K HN 0.445 nan 8.250 nan 0.000 0.595 29 T N -0.579 114.008 114.554 0.054 0.000 2.847 29 T HA 0.342 4.692 4.350 -0.001 0.000 0.291 29 T C 0.616 175.353 174.700 0.063 0.000 0.998 29 T CA 0.101 62.256 62.100 0.092 0.000 0.967 29 T CB 1.645 70.600 68.868 0.145 0.000 0.954 29 T HN 0.128 nan 8.240 nan 0.000 0.441 30 S N 4.362 120.077 115.700 0.026 0.000 2.383 30 S HA 0.045 4.515 4.470 -0.001 0.000 0.227 30 S C 0.737 175.391 174.600 0.091 0.000 1.026 30 S CA 0.321 58.526 58.200 0.008 0.000 0.981 30 S CB -0.356 62.806 63.200 -0.063 0.000 0.818 30 S HN 0.634 nan 8.310 nan 0.000 0.472 31 F N 3.343 123.281 119.950 -0.020 0.000 2.571 31 F HA 0.302 4.829 4.527 -0.001 0.000 0.384 31 F C 0.620 176.407 175.800 -0.021 0.000 1.058 31 F CA -1.087 56.898 58.000 -0.025 0.000 1.200 31 F CB 0.037 39.030 39.000 -0.012 0.000 1.077 31 F HN 0.197 nan 8.300 nan 0.000 0.558 32 E N 3.441 123.763 120.200 0.204 0.000 2.404 32 E HA 0.034 4.383 4.350 -0.001 0.000 0.261 32 E C -0.823 175.827 176.600 0.082 0.000 1.074 32 E CA 0.049 56.497 56.400 0.079 0.000 0.917 32 E CB 0.450 30.127 29.700 -0.038 0.000 0.965 32 E HN 0.578 nan 8.360 nan 0.000 0.433 33 Q N 2.490 122.373 119.800 0.139 0.000 2.331 33 Q HA 0.252 4.591 4.340 -0.001 0.000 0.257 33 Q C -0.979 175.259 176.000 0.396 0.000 0.957 33 Q CA -0.097 55.802 55.803 0.160 0.000 0.923 33 Q CB 1.053 29.852 28.738 0.101 0.000 1.212 33 Q HN 0.502 nan 8.270 nan 0.000 0.443 34 W N 2.428 123.703 121.300 -0.042 0.000 2.411 34 W HA 0.575 5.235 4.660 -0.001 0.000 0.317 34 W C -0.369 176.122 176.519 -0.047 0.000 1.030 34 W CA -0.615 56.709 57.345 -0.034 0.000 1.239 34 W CB 1.530 30.976 29.460 -0.024 0.000 1.304 34 W HN 0.847 nan 8.180 nan 0.000 0.437 35 A N 3.555 126.416 122.820 0.069 0.000 2.435 35 A HA 0.153 4.472 4.320 -0.001 0.000 0.686 35 A C -0.548 177.036 177.584 0.000 0.000 0.138 35 A CA -0.260 51.786 52.037 0.015 0.000 0.024 35 A CB -0.746 18.273 19.000 0.030 0.000 3.974 35 A HN 0.735 nan 8.150 nan 0.000 0.548 36 K N -0.891 119.498 120.400 -0.017 0.000 6.128 36 K HA 0.033 4.352 4.320 -0.001 0.000 0.646 36 K C -3.041 173.543 176.600 -0.026 0.000 2.516 36 K CA 1.102 57.375 56.287 -0.023 0.000 1.948 36 K CB -0.765 31.724 32.500 -0.018 0.000 2.706 36 K HN 0.956 nan 8.250 nan 0.000 0.158 37 P HA 0.493 nan 4.420 nan 0.000 0.296 37 P C -0.629 176.648 177.300 -0.038 0.000 1.306 37 P CA -0.508 62.564 63.100 -0.048 0.000 0.818 37 P CB 1.916 33.575 31.700 -0.069 0.000 0.969 38 G N 0.865 109.654 108.800 -0.018 0.000 2.644 38 G HA2 0.490 4.450 3.960 -0.001 0.000 0.307 38 G HA3 0.490 4.450 3.960 -0.001 0.000 0.307 38 G C -1.345 173.638 174.900 0.139 0.000 1.250 38 G CA -0.332 44.796 45.100 0.046 0.000 0.996 38 G HN 0.647 nan 8.290 nan 0.000 0.489 39 H N -0.970 118.141 119.070 0.068 0.000 2.467 39 H HA 0.748 5.303 4.556 -0.001 0.000 0.326 39 H C -1.067 174.467 175.328 0.344 0.000 1.094 39 H CA -1.722 54.390 56.048 0.106 0.000 1.253 39 H CB 0.971 30.764 29.762 0.052 0.000 1.439 39 H HN 0.776 nan 8.280 nan 0.000 0.479 40 F N 0.326 120.158 119.950 -0.197 0.000 2.890 40 F HA 0.401 4.928 4.527 -0.001 0.000 0.326 40 F C -0.780 174.948 175.800 -0.121 0.000 1.143 40 F CA -0.298 57.466 58.000 -0.393 0.000 0.906 40 F CB 0.222 38.930 39.000 -0.487 0.000 1.303 40 F HN 0.779 nan 8.300 nan 0.000 0.447 41 S N 1.310 117.027 115.700 0.028 0.000 3.594 41 S HA -0.173 4.297 4.470 -0.001 0.000 0.856 41 S C 1.219 175.784 174.600 -0.058 0.000 1.266 41 S CA 0.493 58.690 58.200 -0.005 0.000 0.732 41 S CB 0.152 63.358 63.200 0.010 0.000 0.495 41 S HN 0.968 nan 8.310 nan 0.000 0.296 42 R N 1.480 121.962 120.500 -0.030 0.000 2.120 42 R HA -0.048 4.291 4.340 -0.001 0.000 0.234 42 R C 1.129 177.400 176.300 -0.048 0.000 1.123 42 R CA 1.497 57.578 56.100 -0.032 0.000 0.975 42 R CB -0.849 29.443 30.300 -0.012 0.000 0.866 42 R HN 0.693 nan 8.270 nan 0.000 0.446 43 T N 2.765 117.287 114.554 -0.053 0.000 4.219 43 T HA 0.215 4.565 4.350 -0.001 0.000 0.263 43 T C 0.727 175.353 174.700 -0.123 0.000 1.217 43 T CA -0.038 62.018 62.100 -0.073 0.000 1.145 43 T CB -0.606 68.228 68.868 -0.056 0.000 1.298 43 T HN 0.042 nan 8.240 nan 0.000 0.999 44 I N 1.430 121.926 120.570 -0.123 0.000 3.246 44 I HA 0.192 4.361 4.170 -0.001 0.000 0.280 44 I C 1.329 177.285 176.117 -0.269 0.000 1.239 44 I CA -0.924 60.278 61.300 -0.163 0.000 1.336 44 I CB 0.085 38.031 38.000 -0.089 0.000 1.383 44 I HN 0.339 nan 8.210 nan 0.000 0.617 45 A N 3.010 125.603 122.820 -0.379 0.000 2.608 45 A HA -0.095 4.225 4.320 -0.001 0.000 0.239 45 A C 1.208 178.551 177.584 -0.402 0.000 1.018 45 A CA 0.041 51.712 52.037 -0.611 0.000 0.766 45 A CB 0.012 18.737 19.000 -0.458 0.000 0.928 45 A HN 0.702 nan 8.150 nan 0.000 0.512 46 K N 2.127 122.257 120.400 -0.450 0.000 2.281 46 K HA -0.014 4.305 4.320 -0.001 0.000 0.203 46 K C 1.733 178.217 176.600 -0.192 0.000 1.046 46 K CA 1.231 57.335 56.287 -0.306 0.000 0.938 46 K CB -1.218 31.105 32.500 -0.295 0.000 0.737 46 K HN 1.576 nan 8.250 nan 0.000 0.458 47 G N 0.520 109.217 108.800 -0.172 0.000 2.565 47 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.295 47 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.295 47 G C -2.229 172.566 174.900 -0.174 0.000 1.165 47 G CA -0.128 44.892 45.100 -0.134 0.000 0.977 47 G HN 0.179 nan 8.290 nan 0.000 0.546 48 P HA 0.207 nan 4.420 nan 0.000 0.263 48 P C -0.173 177.028 177.300 -0.166 0.000 1.168 48 P CA 0.948 63.970 63.100 -0.130 0.000 0.759 48 P CB 0.038 31.673 31.700 -0.108 0.000 0.782 49 D N 1.337 121.665 120.400 -0.121 0.000 2.443 49 D HA 0.214 4.854 4.640 -0.001 0.000 0.239 49 D C -0.099 176.141 176.300 -0.100 0.000 1.136 49 D CA 0.291 54.225 54.000 -0.110 0.000 0.879 49 D CB -0.079 40.683 40.800 -0.064 0.000 1.195 49 D HN 0.135 nan 8.370 nan 0.000 0.443 50 T N 0.275 114.780 114.554 -0.081 0.000 2.821 50 T HA 0.247 4.596 4.350 -0.001 0.000 0.306 50 T C 0.807 175.589 174.700 0.137 0.000 1.313 50 T CA -0.539 61.590 62.100 0.048 0.000 1.012 50 T CB 1.824 70.765 68.868 0.121 0.000 1.298 50 T HN 0.495 nan 8.240 nan 0.000 0.502 51 T N 0.564 115.227 114.554 0.182 0.000 2.851 51 T HA -0.087 4.263 4.350 -0.001 0.000 0.262 51 T C 2.245 177.116 174.700 0.285 0.000 1.043 51 T CA 2.413 64.620 62.100 0.178 0.000 1.140 51 T CB -0.663 68.307 68.868 0.170 0.000 0.872 51 T HN 0.818 nan 8.240 nan 0.000 0.446 52 T N -1.181 113.614 114.554 0.402 0.000 2.759 52 T HA -0.151 4.199 4.350 -0.001 0.000 0.269 52 T C 1.911 176.786 174.700 0.292 0.000 1.042 52 T CA 0.973 63.273 62.100 0.332 0.000 1.140 52 T CB -0.846 68.075 68.868 0.089 0.000 0.864 52 T HN 0.581 nan 8.240 nan 0.000 0.455 53 W N 0.951 122.328 121.300 0.128 0.000 2.374 53 W HA 0.093 4.753 4.660 -0.001 0.000 0.288 53 W C 2.229 178.842 176.519 0.156 0.000 1.218 53 W CA 0.190 57.617 57.345 0.137 0.000 1.245 53 W CB -0.324 29.164 29.460 0.045 0.000 1.126 53 W HN 0.347 nan 8.180 nan 0.000 0.545 54 I N -1.115 119.619 120.570 0.273 0.000 2.286 54 I HA -0.306 3.864 4.170 -0.001 0.000 0.248 54 I C 2.406 178.603 176.117 0.133 0.000 1.115 54 I CA 1.250 62.623 61.300 0.121 0.000 1.392 54 I CB -0.585 37.364 38.000 -0.085 0.000 1.065 54 I HN -0.000 nan 8.210 nan 0.000 0.418 55 W N 1.604 123.017 121.300 0.187 0.000 2.388 55 W HA -0.054 4.606 4.660 -0.001 0.000 0.294 55 W C 1.073 177.670 176.519 0.129 0.000 1.212 55 W CA 0.485 57.912 57.345 0.136 0.000 1.271 55 W CB -1.138 28.344 29.460 0.037 0.000 1.126 55 W HN 0.162 nan 8.180 nan 0.000 0.535 56 N N 1.103 119.972 118.700 0.281 0.000 2.374 56 N HA 0.142 4.882 4.740 -0.001 0.000 0.241 56 N C 1.146 176.767 175.510 0.185 0.000 1.262 56 N CA 1.189 54.340 53.050 0.169 0.000 0.880 56 N CB 0.748 39.295 38.487 0.099 0.000 1.105 56 N HN 0.090 nan 8.380 nan 0.000 0.438 57 L N -0.708 120.532 121.223 0.028 0.000 2.198 57 L HA -0.345 3.995 4.340 -0.001 0.000 0.476 57 L C 0.674 177.431 176.870 -0.188 0.000 0.710 57 L CA 0.871 55.629 54.840 -0.136 0.000 3.209 57 L CB -1.230 40.796 42.059 -0.054 0.000 0.666 57 L HN 0.734 nan 8.230 nan 0.000 0.766 58 H N 1.427 120.513 119.070 0.026 0.000 2.299 58 H HA 0.223 4.779 4.556 -0.001 0.000 0.302 58 H C 1.436 176.800 175.328 0.061 0.000 1.078 58 H CA 1.072 57.143 56.048 0.038 0.000 1.323 58 H CB -0.298 29.512 29.762 0.080 0.000 1.381 58 H HN 0.614 nan 8.280 nan 0.000 0.498 59 A N 1.779 124.737 122.820 0.229 0.000 2.483 59 A HA -0.020 4.300 4.320 -0.001 0.000 0.238 59 A C 0.841 178.473 177.584 0.081 0.000 1.070 59 A CA 0.410 52.541 52.037 0.157 0.000 0.770 59 A CB -0.063 19.019 19.000 0.136 0.000 1.008 59 A HN 0.701 nan 8.150 nan 0.000 0.497 60 D N 0.356 120.816 120.400 0.100 0.000 2.708 60 D HA -0.242 4.398 4.640 -0.001 0.000 0.236 60 D C 0.712 176.963 176.300 -0.083 0.000 1.146 60 D CA 0.989 55.010 54.000 0.035 0.000 0.662 60 D CB -1.064 39.742 40.800 0.011 0.000 1.059 60 D HN 0.882 nan 8.370 nan 0.000 0.428 61 A N 0.430 123.203 122.820 -0.078 0.000 1.929 61 A HA -0.045 4.274 4.320 -0.001 0.000 0.216 61 A C 0.675 178.034 177.584 -0.374 0.000 1.176 61 A CA 1.525 53.384 52.037 -0.297 0.000 0.628 61 A CB -0.147 18.600 19.000 -0.420 0.000 0.816 61 A HN 0.667 nan 8.150 nan 0.000 0.444 62 H N -0.970 118.043 119.070 -0.095 0.000 2.587 62 H HA 0.469 5.024 4.556 -0.001 0.000 0.325 62 H C 0.131 175.302 175.328 -0.262 0.000 1.012 62 H CA -0.980 54.915 56.048 -0.254 0.000 1.213 62 H CB 0.837 30.319 29.762 -0.468 0.000 1.431 62 H HN 0.320 nan 8.280 nan 0.000 0.492 63 D N 3.182 123.559 120.400 -0.037 0.000 2.277 63 D HA -0.114 4.526 4.640 -0.001 0.000 0.209 63 D C -0.111 176.131 176.300 -0.096 0.000 0.970 63 D CA 0.142 54.101 54.000 -0.069 0.000 0.874 63 D CB 0.093 40.917 40.800 0.039 0.000 0.982 63 D HN 0.384 nan 8.370 nan 0.000 0.504 64 F N 1.287 121.275 119.950 0.062 0.000 3.071 64 F HA -0.171 4.355 4.527 -0.001 0.000 0.295 64 F C 1.047 176.831 175.800 -0.027 0.000 0.919 64 F CA 0.046 58.049 58.000 0.005 0.000 1.050 64 F CB -2.775 36.191 39.000 -0.055 0.000 1.040 64 F HN 0.162 nan 8.300 nan 0.000 0.692 65 D N -0.693 119.807 120.400 0.168 0.000 2.213 65 D HA 0.018 4.657 4.640 -0.001 0.000 0.205 65 D C 0.659 177.027 176.300 0.113 0.000 0.961 65 D CA 1.165 55.228 54.000 0.105 0.000 0.853 65 D CB 0.554 41.398 40.800 0.072 0.000 0.967 65 D HN 0.343 nan 8.370 nan 0.000 0.496 66 S N -2.375 113.416 115.700 0.153 0.000 2.632 66 S HA 0.450 4.919 4.470 -0.001 0.000 0.289 66 S C -0.335 174.378 174.600 0.188 0.000 1.115 66 S CA -0.536 57.730 58.200 0.110 0.000 0.889 66 S CB 2.531 65.759 63.200 0.046 0.000 1.116 66 S HN 0.346 nan 8.310 nan 0.000 0.486 67 H N -0.394 118.728 119.070 0.087 0.000 4.738 67 H HA -0.155 4.401 4.556 -0.001 0.000 0.073 67 H C -0.008 175.325 175.328 0.008 0.000 0.608 67 H CA 1.686 57.773 56.048 0.064 0.000 0.964 67 H CB -0.793 28.970 29.762 0.001 0.000 0.423 67 H HN 0.567 nan 8.280 nan 0.000 0.797 68 T N -1.550 113.062 114.554 0.097 0.000 3.012 68 T HA 0.270 4.620 4.350 -0.001 0.000 0.330 68 T C 0.560 175.272 174.700 0.020 0.000 1.321 68 T CA 0.157 62.284 62.100 0.045 0.000 1.067 68 T CB 1.924 70.811 68.868 0.032 0.000 1.235 68 T HN 0.247 nan 8.240 nan 0.000 0.479 69 S N 1.286 117.002 115.700 0.027 0.000 2.407 69 S HA -0.095 4.375 4.470 -0.001 0.000 0.235 69 S C 0.343 174.954 174.600 0.017 0.000 1.036 69 S CA 1.462 59.676 58.200 0.022 0.000 1.013 69 S CB -0.147 63.065 63.200 0.020 0.000 0.820 69 S HN 0.628 nan 8.310 nan 0.000 0.476 70 D N 0.512 120.921 120.400 0.014 0.000 2.391 70 D HA 0.326 4.965 4.640 -0.001 0.000 0.245 70 D C 1.114 177.423 176.300 0.016 0.000 1.069 70 D CA -0.385 53.627 54.000 0.020 0.000 0.831 70 D CB 1.688 42.502 40.800 0.023 0.000 1.204 70 D HN 0.213 nan 8.370 nan 0.000 0.503 71 L N 1.341 122.592 121.223 0.046 0.000 1.990 71 L HA -0.165 4.175 4.340 -0.001 0.000 0.213 71 L C 1.032 177.920 176.870 0.031 0.000 1.072 71 L CA 1.483 56.355 54.840 0.054 0.000 0.755 71 L CB -0.638 41.528 42.059 0.178 0.000 0.889 71 L HN 0.252 nan 8.230 nan 0.000 0.432 72 E N 0.315 120.564 120.200 0.083 0.000 3.296 72 E HA -0.433 3.917 4.350 -0.001 0.000 0.422 72 E C 1.580 178.178 176.600 -0.003 0.000 1.557 72 E CA 2.352 58.778 56.400 0.043 0.000 1.302 72 E CB -1.494 28.211 29.700 0.009 0.000 1.497 72 E HN 0.852 nan 8.360 nan 0.000 0.467 73 E N 1.662 121.836 120.200 -0.044 0.000 2.051 73 E HA -0.123 4.226 4.350 -0.001 0.000 0.192 73 E C 2.491 179.026 176.600 -0.109 0.000 0.991 73 E CA 1.810 58.195 56.400 -0.023 0.000 0.799 73 E CB -0.477 29.303 29.700 0.133 0.000 0.748 73 E HN 0.486 nan 8.360 nan 0.000 0.449 74 I N 2.632 123.055 120.570 -0.245 0.000 2.087 74 I HA -0.368 3.801 4.170 -0.001 0.000 0.240 74 I C 2.815 178.700 176.117 -0.386 0.000 1.054 74 I CA 1.972 62.999 61.300 -0.455 0.000 1.311 74 I CB -0.723 36.849 38.000 -0.713 0.000 1.024 74 I HN 0.250 nan 8.210 nan 0.000 0.402 75 S N 1.097 116.565 115.700 -0.387 0.000 2.421 75 S HA -0.313 4.156 4.470 -0.001 0.000 0.239 75 S C 1.901 176.287 174.600 -0.357 0.000 1.054 75 S CA 1.679 59.648 58.200 -0.386 0.000 1.035 75 S CB -0.837 62.271 63.200 -0.154 0.000 0.840 75 S HN 0.464 nan 8.310 nan 0.000 0.475 76 R N 1.323 121.653 120.500 -0.284 0.000 2.235 76 R HA 0.120 4.459 4.340 -0.001 0.000 0.213 76 R C 2.409 178.826 176.300 0.195 0.000 1.059 76 R CA 1.206 57.237 56.100 -0.116 0.000 0.997 76 R CB -0.178 30.033 30.300 -0.147 0.000 0.884 76 R HN 0.639 nan 8.270 nan 0.000 0.462 77 K N 1.055 121.451 120.400 -0.006 0.000 2.168 77 K HA -0.028 4.291 4.320 -0.001 0.000 0.201 77 K C 1.964 178.485 176.600 -0.131 0.000 1.049 77 K CA 0.982 57.155 56.287 -0.189 0.000 0.974 77 K CB 0.181 32.409 32.500 -0.453 0.000 0.792 77 K HN 0.130 nan 8.250 nan 0.000 0.463 78 V N 0.230 120.019 119.914 -0.208 0.000 2.759 78 V HA -0.123 3.997 4.120 -0.001 0.000 0.256 78 V C 1.918 177.829 176.094 -0.304 0.000 1.080 78 V CA 1.154 63.319 62.300 -0.225 0.000 1.101 78 V CB -0.860 30.713 31.823 -0.417 0.000 0.698 78 V HN 0.277 nan 8.190 nan 0.000 0.477 79 F N 2.894 122.555 119.950 -0.480 0.000 2.134 79 F HA -0.065 4.461 4.527 -0.001 0.000 0.299 79 F C 2.762 178.305 175.800 -0.429 0.000 1.097 79 F CA 1.579 59.256 58.000 -0.538 0.000 1.264 79 F CB -0.856 37.812 39.000 -0.552 0.000 1.001 79 F HN 0.465 nan 8.300 nan 0.000 0.479 80 S N 0.398 116.013 115.700 -0.140 0.000 2.355 80 S HA -0.140 4.330 4.470 -0.001 0.000 0.222 80 S C 2.353 176.973 174.600 0.033 0.000 1.031 80 S CA 0.970 59.135 58.200 -0.058 0.000 0.993 80 S CB -1.306 61.910 63.200 0.027 0.000 0.859 80 S HN 0.344 nan 8.310 nan 0.000 0.453 81 A N 2.103 124.954 122.820 0.053 0.000 1.940 81 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 81 A C 2.110 179.786 177.584 0.154 0.000 1.176 81 A CA 1.591 53.687 52.037 0.099 0.000 0.631 81 A CB -1.289 17.778 19.000 0.111 0.000 0.814 81 A HN 0.780 nan 8.150 nan 0.000 0.446 82 H N -2.279 116.779 119.070 -0.020 0.000 2.353 82 H HA -0.138 4.417 4.556 -0.001 0.000 0.300 82 H C 1.932 177.338 175.328 0.130 0.000 1.090 82 H CA 1.464 57.524 56.048 0.020 0.000 1.327 82 H CB -0.218 29.554 29.762 0.017 0.000 1.383 82 H HN 0.501 nan 8.280 nan 0.000 0.508 83 F N 0.774 120.778 119.950 0.090 0.000 2.126 83 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 83 F C 2.745 178.554 175.800 0.015 0.000 1.096 83 F CA 1.164 59.174 58.000 0.016 0.000 1.255 83 F CB -1.169 37.801 39.000 -0.049 0.000 0.997 83 F HN 0.157 nan 8.300 nan 0.000 0.479 84 G N -1.148 107.771 108.800 0.198 0.000 2.440 84 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 84 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 84 G C 1.564 176.493 174.900 0.048 0.000 1.154 84 G CA 0.954 46.108 45.100 0.089 0.000 0.767 84 G HN 0.333 nan 8.290 nan 0.000 0.552 85 Q N -0.089 119.728 119.800 0.028 0.000 2.079 85 Q HA 0.066 4.406 4.340 -0.001 0.000 0.200 85 Q C 2.543 178.504 176.000 -0.065 0.000 0.974 85 Q CA 0.990 56.768 55.803 -0.043 0.000 0.840 85 Q CB -0.297 28.385 28.738 -0.093 0.000 0.898 85 Q HN 0.537 nan 8.270 nan 0.000 0.430 86 L N 0.156 121.360 121.223 -0.032 0.000 2.027 86 L HA -0.081 4.259 4.340 -0.001 0.000 0.206 86 L C 1.456 178.208 176.870 -0.196 0.000 1.074 86 L CA 0.689 55.432 54.840 -0.160 0.000 0.745 86 L CB -0.832 41.219 42.059 -0.014 0.000 0.898 86 L HN 0.164 nan 8.230 nan 0.000 0.433 87 S N -0.839 114.913 115.700 0.088 0.000 2.596 87 S HA 0.226 4.695 4.470 -0.001 0.000 0.260 87 S C 1.036 175.686 174.600 0.084 0.000 1.336 87 S CA -0.136 58.190 58.200 0.209 0.000 0.993 87 S CB 1.666 64.959 63.200 0.154 0.000 0.923 87 S HN 0.306 nan 8.310 nan 0.000 0.567 88 I N -1.596 119.043 120.570 0.116 0.000 4.538 88 I HA -0.379 3.790 4.170 -0.001 0.000 0.053 88 I C 1.711 177.886 176.117 0.097 0.000 0.613 88 I CA 1.821 63.164 61.300 0.071 0.000 0.944 88 I CB -1.447 36.548 38.000 -0.008 0.000 0.852 88 I HN 0.710 nan 8.210 nan 0.000 0.162 89 I N 0.316 120.886 120.570 -0.001 0.000 2.226 89 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 89 I C 2.330 178.639 176.117 0.321 0.000 1.100 89 I CA 1.910 63.253 61.300 0.072 0.000 1.374 89 I CB -0.384 37.533 38.000 -0.138 0.000 1.057 89 I HN 0.196 nan 8.210 nan 0.000 0.413 90 F N 0.485 120.548 119.950 0.189 0.000 2.102 90 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 90 F C 2.311 178.187 175.800 0.126 0.000 1.105 90 F CA 1.227 59.316 58.000 0.149 0.000 1.239 90 F CB -1.062 38.011 39.000 0.121 0.000 0.991 90 F HN 0.011 nan 8.300 nan 0.000 0.474 91 L N -1.042 120.365 121.223 0.307 0.000 2.012 91 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 91 L C 0.573 177.552 176.870 0.183 0.000 1.073 91 L CA 1.152 56.098 54.840 0.177 0.000 0.748 91 L CB -0.856 41.278 42.059 0.125 0.000 0.891 91 L HN 0.194 nan 8.230 nan 0.000 0.431 92 W N 0.968 122.276 121.300 0.013 0.000 2.257 92 W HA 0.270 4.929 4.660 -0.001 0.000 0.337 92 W C 1.255 177.786 176.519 0.020 0.000 1.321 92 W CA 1.349 58.678 57.345 -0.026 0.000 1.267 92 W CB 0.385 29.825 29.460 -0.033 0.000 1.187 92 W HN 0.358 nan 8.180 nan 0.000 0.565 93 L N 2.590 123.545 121.223 -0.447 0.000 4.610 93 L HA -0.401 3.939 4.340 -0.001 0.000 0.397 93 L C 1.539 178.420 176.870 0.018 0.000 0.806 93 L CA 1.925 56.501 54.840 -0.440 0.000 2.169 93 L CB -2.186 39.769 42.059 -0.173 0.000 1.402 93 L HN 0.455 nan 8.230 nan 0.000 0.603 94 S N 0.186 115.916 115.700 0.051 0.000 2.368 94 S HA 0.048 4.517 4.470 -0.001 0.000 0.224 94 S C 1.929 176.510 174.600 -0.032 0.000 1.029 94 S CA 1.414 59.637 58.200 0.038 0.000 0.988 94 S CB -1.140 62.060 63.200 -0.000 0.000 0.838 94 S HN 0.859 nan 8.310 nan 0.000 0.462 95 G N 2.187 110.889 108.800 -0.163 0.000 2.421 95 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.216 95 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.216 95 G C 1.520 176.195 174.900 -0.376 0.000 1.171 95 G CA 1.273 46.197 45.100 -0.293 0.000 0.775 95 G HN 0.364 nan 8.290 nan 0.000 0.543 96 M N -0.315 118.939 119.600 -0.578 0.000 2.080 96 M HA -0.002 4.477 4.480 -0.001 0.000 0.260 96 M C 2.382 178.381 176.300 -0.501 0.000 1.068 96 M CA 0.942 55.772 55.300 -0.784 0.000 1.109 96 M CB -1.432 30.392 32.600 -1.294 0.000 1.342 96 M HN 0.308 nan 8.290 nan 0.000 0.405 97 Y N -0.498 119.590 120.300 -0.353 0.000 2.181 97 Y HA -0.223 4.326 4.550 -0.001 0.000 0.288 97 Y C 2.062 178.008 175.900 0.077 0.000 1.146 97 Y CA 1.295 59.373 58.100 -0.038 0.000 1.164 97 Y CB -0.712 37.774 38.460 0.043 0.000 0.982 97 Y HN 0.085 nan 8.280 nan 0.000 0.515 98 F N 0.063 120.037 119.950 0.040 0.000 2.148 98 F HA -0.418 4.109 4.527 -0.001 0.000 0.310 98 F C 2.433 178.156 175.800 -0.129 0.000 1.495 98 F CA 1.953 59.919 58.000 -0.056 0.000 1.231 98 F CB -0.945 38.004 39.000 -0.086 0.000 0.883 98 F HN 0.188 nan 8.300 nan 0.000 0.583 99 H N -0.850 118.019 119.070 -0.335 0.000 1.480 99 H HA -0.368 4.188 4.556 -0.001 0.000 0.096 99 H C 1.912 177.014 175.328 -0.376 0.000 1.275 99 H CA 1.707 57.380 56.048 -0.626 0.000 1.888 99 H CB -1.523 28.041 29.762 -0.330 0.000 2.244 99 H HN 0.661 nan 8.280 nan 0.000 0.955 100 G N -0.017 108.793 108.800 0.017 0.000 2.440 100 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.218 100 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.218 100 G C 1.871 176.763 174.900 -0.014 0.000 1.154 100 G CA 1.745 46.970 45.100 0.209 0.000 0.767 100 G HN 0.644 nan 8.290 nan 0.000 0.552 101 A N 0.278 123.049 122.820 -0.082 0.000 1.854 101 A HA 0.117 4.437 4.320 -0.001 0.000 0.214 101 A C 2.259 179.780 177.584 -0.105 0.000 1.192 101 A CA 1.636 53.602 52.037 -0.117 0.000 0.611 101 A CB -0.216 18.758 19.000 -0.042 0.000 0.832 101 A HN 0.316 nan 8.150 nan 0.000 0.442 102 R N -1.561 118.804 120.500 -0.226 0.000 2.468 102 R HA 0.312 4.652 4.340 -0.001 0.000 0.280 102 R C -1.010 175.536 176.300 0.410 0.000 0.963 102 R CA -0.196 55.898 56.100 -0.009 0.000 1.083 102 R CB -0.002 30.237 30.300 -0.103 0.000 1.200 102 R HN 0.489 nan 8.270 nan 0.000 0.541 103 F N -0.414 119.360 119.950 -0.294 0.000 2.523 103 F HA 0.281 4.808 4.527 -0.001 0.000 0.322 103 F C 1.110 176.807 175.800 -0.171 0.000 1.361 103 F CA -0.871 56.962 58.000 -0.280 0.000 1.151 103 F CB 1.402 40.269 39.000 -0.222 0.000 1.391 103 F HN -0.030 nan 8.300 nan 0.000 0.566 104 S N 0.779 116.452 115.700 -0.045 0.000 2.343 104 S HA -0.238 4.232 4.470 -0.001 0.000 0.219 104 S C 1.772 176.577 174.600 0.342 0.000 1.033 104 S CA 1.852 60.105 58.200 0.089 0.000 1.014 104 S CB -0.319 62.883 63.200 0.003 0.000 0.915 104 S HN 0.861 nan 8.310 nan 0.000 0.435 105 N N -1.709 117.306 118.700 0.525 0.000 2.030 105 N HA -0.378 4.361 4.740 -0.001 0.000 0.222 105 N C 1.033 176.870 175.510 0.546 0.000 0.773 105 N CA 1.920 55.433 53.050 0.772 0.000 3.553 105 N CB -1.287 37.642 38.487 0.736 0.000 0.757 105 N HN 0.558 nan 8.380 nan 0.000 0.362 106 Y N 1.638 122.027 120.300 0.147 0.000 2.114 106 Y HA -0.129 4.421 4.550 -0.001 0.000 0.284 106 Y C 2.441 178.283 175.900 -0.096 0.000 1.143 106 Y CA 2.196 60.057 58.100 -0.399 0.000 1.135 106 Y CB -0.221 37.680 38.460 -0.932 0.000 0.980 106 Y HN 0.230 nan 8.280 nan 0.000 0.499 107 E N 0.223 120.305 120.200 -0.198 0.000 2.070 107 E HA -0.298 4.051 4.350 -0.001 0.000 0.197 107 E C 2.334 178.815 176.600 -0.199 0.000 1.004 107 E CA 1.143 57.361 56.400 -0.303 0.000 0.805 107 E CB -0.387 29.234 29.700 -0.132 0.000 0.744 107 E HN 0.621 nan 8.360 nan 0.000 0.451 108 A N 0.874 123.689 122.820 -0.008 0.000 1.908 108 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 108 A C 1.899 179.531 177.584 0.080 0.000 1.181 108 A CA 1.528 53.601 52.037 0.061 0.000 0.627 108 A CB -1.073 18.032 19.000 0.175 0.000 0.818 108 A HN 0.603 nan 8.150 nan 0.000 0.445 109 W N 1.612 122.869 121.300 -0.070 0.000 2.388 109 W HA -0.147 4.512 4.660 -0.001 0.000 0.294 109 W C 1.820 178.229 176.519 -0.182 0.000 1.212 109 W CA 1.769 59.082 57.345 -0.052 0.000 1.271 109 W CB -0.253 29.286 29.460 0.131 0.000 1.126 109 W HN 0.365 nan 8.180 nan 0.000 0.535 110 L N 0.039 121.049 121.223 -0.355 0.000 2.093 110 L HA -0.018 4.322 4.340 -0.001 0.000 0.208 110 L C 2.096 178.661 176.870 -0.509 0.000 1.085 110 L CA 2.339 56.772 54.840 -0.678 0.000 0.755 110 L CB -1.567 40.185 42.059 -0.510 0.000 0.904 110 L HN -0.005 nan 8.230 nan 0.000 0.435 111 N N 0.374 118.877 118.700 -0.329 0.000 2.149 111 N HA -0.187 4.553 4.740 -0.001 0.000 0.188 111 N C 1.006 176.362 175.510 -0.255 0.000 1.019 111 N CA 1.653 54.563 53.050 -0.233 0.000 0.857 111 N CB -0.024 38.371 38.487 -0.153 0.000 0.997 111 N HN 0.475 nan 8.380 nan 0.000 0.426 112 D N -0.546 119.678 120.400 -0.294 0.000 2.363 112 D HA 0.119 4.758 4.640 -0.001 0.000 0.214 112 D C -2.298 173.751 176.300 -0.419 0.000 1.093 112 D CA -0.564 53.366 54.000 -0.117 0.000 0.837 112 D CB -0.352 40.457 40.800 0.016 0.000 0.948 112 D HN 0.401 nan 8.370 nan 0.000 0.507 113 P HA -0.031 nan 4.420 nan 0.000 0.269 113 P C 0.769 177.494 177.300 -0.958 0.000 1.209 113 P CA 0.672 62.938 63.100 -1.389 0.000 0.776 113 P CB 1.383 31.893 31.700 -1.983 0.000 0.876 114 T N 0.511 114.697 114.554 -0.613 0.000 6.445 114 T HA -0.182 4.168 4.350 -0.001 0.000 0.280 114 T C 1.043 175.493 174.700 -0.416 0.000 2.174 114 T CA 1.433 63.280 62.100 -0.422 0.000 3.648 114 T CB -2.031 66.570 68.868 -0.445 0.000 1.091 114 T HN 0.681 nan 8.240 nan 0.000 1.002 115 H N 0.619 119.644 119.070 -0.076 0.000 2.448 115 H HA 0.290 4.846 4.556 -0.001 0.000 0.292 115 H C 2.389 177.735 175.328 0.029 0.000 1.035 115 H CA 1.217 57.249 56.048 -0.026 0.000 1.349 115 H CB -0.148 29.581 29.762 -0.055 0.000 1.425 115 H HN 0.446 nan 8.280 nan 0.000 0.539 116 I N 0.557 121.228 120.570 0.168 0.000 2.406 116 I HA 0.031 4.201 4.170 -0.001 0.000 0.249 116 I C 1.408 177.619 176.117 0.157 0.000 1.122 116 I CA 1.053 62.495 61.300 0.236 0.000 1.431 116 I CB -1.336 36.880 38.000 0.359 0.000 1.087 116 I HN 0.314 nan 8.210 nan 0.000 0.424 117 G N 3.788 112.673 108.800 0.141 0.000 2.350 117 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.298 117 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.298 117 G C -2.120 172.743 174.900 -0.063 0.000 1.037 117 G CA -0.318 44.798 45.100 0.026 0.000 1.074 117 G HN 0.274 nan 8.290 nan 0.000 0.511 118 P HA 0.381 nan 4.420 nan 0.000 0.271 118 P C -0.057 177.057 177.300 -0.310 0.000 1.216 118 P CA 0.177 63.130 63.100 -0.246 0.000 0.771 118 P CB 1.606 32.952 31.700 -0.590 0.000 0.864 119 S N 1.618 117.213 115.700 -0.175 0.000 2.503 119 S HA 0.503 4.973 4.470 -0.001 0.000 0.301 119 S C 1.165 175.816 174.600 0.085 0.000 1.087 119 S CA -0.370 57.791 58.200 -0.066 0.000 1.042 119 S CB 1.740 64.960 63.200 0.034 0.000 1.043 119 S HN 0.515 nan 8.310 nan 0.000 0.489 120 A N 1.869 124.714 122.820 0.041 0.000 1.975 120 A HA 0.130 4.450 4.320 -0.001 0.000 0.215 120 A C 0.856 178.571 177.584 0.219 0.000 1.170 120 A CA 0.650 52.787 52.037 0.167 0.000 0.656 120 A CB -0.058 18.990 19.000 0.080 0.000 0.821 120 A HN 0.719 nan 8.150 nan 0.000 0.449 121 Q N 0.153 120.057 119.800 0.173 0.000 2.333 121 Q HA 0.589 4.928 4.340 -0.001 0.000 0.267 121 Q C -1.928 174.157 176.000 0.143 0.000 1.012 121 Q CA -0.438 55.472 55.803 0.179 0.000 0.824 121 Q CB 1.863 30.689 28.738 0.146 0.000 1.290 121 Q HN 0.114 nan 8.270 nan 0.000 0.449 122 V N 4.217 124.196 119.914 0.109 0.000 2.789 122 V HA 0.204 4.324 4.120 -0.001 0.000 0.311 122 V C 0.981 177.039 176.094 -0.060 0.000 1.073 122 V CA -0.525 61.779 62.300 0.007 0.000 0.921 122 V CB 1.759 33.542 31.823 -0.066 0.000 1.009 122 V HN 0.859 nan 8.190 nan 0.000 0.426 123 V N -0.083 119.819 119.914 -0.020 0.000 2.323 123 V HA 0.143 4.262 4.120 -0.001 0.000 0.244 123 V C 0.595 176.742 176.094 0.089 0.000 1.041 123 V CA 0.673 62.995 62.300 0.036 0.000 1.025 123 V CB -1.022 30.851 31.823 0.083 0.000 0.656 123 V HN 0.939 nan 8.190 nan 0.000 0.451 124 W N -0.868 120.445 121.300 0.021 0.000 3.078 124 W HA -0.056 4.603 4.660 -0.001 0.000 0.321 124 W C -2.724 173.802 176.519 0.012 0.000 0.162 124 W CA -0.565 56.785 57.345 0.009 0.000 0.459 124 W CB -1.017 28.453 29.460 0.016 0.000 2.859 124 W HN 0.161 nan 8.180 nan 0.000 0.416 125 P HA 0.296 nan 4.420 nan 0.000 0.208 125 P C -0.578 176.782 177.300 0.100 0.000 1.863 125 P CA 0.177 63.372 63.100 0.158 0.000 1.037 125 P CB -0.566 31.210 31.700 0.126 0.000 1.881 126 I N -0.546 120.082 120.570 0.096 0.000 2.378 126 I HA 0.640 4.810 4.170 -0.001 0.000 0.291 126 I C 0.900 177.039 176.117 0.038 0.000 0.992 126 I CA -1.054 60.275 61.300 0.047 0.000 1.154 126 I CB 1.842 39.859 38.000 0.029 0.000 1.315 126 I HN 0.101 nan 8.210 nan 0.000 0.448 127 V N 2.842 122.770 119.914 0.023 0.000 0.690 127 V HA -0.318 3.801 4.120 -0.001 0.000 0.092 127 V C 1.561 177.667 176.094 0.020 0.000 0.779 127 V CA 1.247 63.558 62.300 0.018 0.000 3.099 127 V CB -2.096 29.737 31.823 0.016 0.000 0.188 127 V HN 1.207 nan 8.190 nan 0.000 0.084 128 G N 0.378 109.188 108.800 0.016 0.000 2.440 128 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.218 128 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.218 128 G C 0.783 175.694 174.900 0.018 0.000 1.154 128 G CA 1.263 46.370 45.100 0.011 0.000 0.767 128 G HN 1.248 nan 8.290 nan 0.000 0.552 129 Q N -0.601 119.216 119.800 0.029 0.000 2.428 129 Q HA 0.267 4.607 4.340 -0.001 0.000 0.276 129 Q C 0.968 176.994 176.000 0.044 0.000 1.059 129 Q CA 1.004 56.830 55.803 0.038 0.000 0.923 129 Q CB 0.403 29.179 28.738 0.063 0.000 1.283 129 Q HN 0.409 nan 8.270 nan 0.000 0.447 130 E N 0.868 121.091 120.200 0.038 0.000 4.304 130 E HA -0.217 4.132 4.350 -0.001 0.000 0.400 130 E C 0.092 176.701 176.600 0.015 0.000 0.572 130 E CA 1.307 57.727 56.400 0.034 0.000 1.465 130 E CB -1.687 28.042 29.700 0.048 0.000 1.881 130 E HN 0.768 nan 8.360 nan 0.000 0.353 131 I N 1.137 121.707 120.570 0.001 0.000 2.264 131 I HA -0.247 3.923 4.170 -0.001 0.000 0.248 131 I C 2.170 178.278 176.117 -0.015 0.000 1.111 131 I CA 1.222 62.515 61.300 -0.012 0.000 1.382 131 I CB -0.440 37.542 38.000 -0.031 0.000 1.060 131 I HN 0.250 nan 8.210 nan 0.000 0.418 132 L N 0.455 121.670 121.223 -0.015 0.000 2.131 132 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 132 L C 0.936 177.795 176.870 -0.018 0.000 1.092 132 L CA 1.504 56.328 54.840 -0.026 0.000 0.759 132 L CB -1.000 41.046 42.059 -0.022 0.000 0.903 132 L HN 0.305 nan 8.230 nan 0.000 0.435 133 N N 0.329 119.027 118.700 -0.004 0.000 2.976 133 N HA 0.312 5.051 4.740 -0.001 0.000 0.255 133 N C -0.346 175.161 175.510 -0.006 0.000 1.312 133 N CA -0.021 53.030 53.050 0.003 0.000 0.897 133 N CB 0.617 39.117 38.487 0.022 0.000 1.184 133 N HN 0.089 nan 8.380 nan 0.000 0.497 134 G N 0.673 109.459 108.800 -0.024 0.000 2.530 134 G HA2 0.208 4.168 3.960 -0.001 0.000 0.316 134 G HA3 0.208 4.168 3.960 -0.001 0.000 0.316 134 G C -0.756 174.112 174.900 -0.054 0.000 1.298 134 G CA -0.566 44.516 45.100 -0.030 0.000 0.948 134 G HN 0.276 nan 8.290 nan 0.000 0.486 135 D N 1.589 121.957 120.400 -0.053 0.000 2.479 135 D HA 0.011 4.651 4.640 -0.001 0.000 0.257 135 D C 1.901 178.133 176.300 -0.113 0.000 1.230 135 D CA 0.034 53.982 54.000 -0.087 0.000 0.912 135 D CB 1.557 42.324 40.800 -0.055 0.000 1.130 135 D HN 0.180 nan 8.370 nan 0.000 0.515 136 V N 1.901 121.695 119.914 -0.200 0.000 2.719 136 V HA 0.225 4.344 4.120 -0.001 0.000 0.252 136 V C 1.140 177.137 176.094 -0.161 0.000 1.065 136 V CA 1.026 63.200 62.300 -0.210 0.000 1.086 136 V CB -0.566 31.058 31.823 -0.332 0.000 0.700 136 V HN 0.427 nan 8.190 nan 0.000 0.467 137 G N -0.908 107.784 108.800 -0.180 0.000 2.798 137 G HA2 0.530 4.489 3.960 -0.001 0.000 0.286 137 G HA3 0.530 4.489 3.960 -0.001 0.000 0.286 137 G C 0.000 174.878 174.900 -0.037 0.000 1.389 137 G CA -0.407 44.556 45.100 -0.228 0.000 0.894 137 G HN 0.440 nan 8.290 nan 0.000 0.488 138 G N -0.647 108.187 108.800 0.057 0.000 3.102 138 G HA2 0.509 4.468 3.960 -0.001 0.000 0.264 138 G HA3 0.509 4.468 3.960 -0.001 0.000 0.264 138 G C 1.176 176.162 174.900 0.143 0.000 0.788 138 G CA 0.849 46.013 45.100 0.106 0.000 2.029 138 G HN 1.967 nan 8.290 nan 0.000 0.608 139 G N 0.397 109.236 108.800 0.066 0.000 2.295 139 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.287 139 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.287 139 G C -0.004 175.016 174.900 0.199 0.000 1.055 139 G CA 0.530 45.682 45.100 0.087 0.000 0.922 139 G HN 1.663 nan 8.290 nan 0.000 0.503 140 F N -1.616 118.342 119.950 0.013 0.000 2.601 140 F HA 0.802 5.328 4.527 -0.001 0.000 0.309 140 F C 0.065 175.866 175.800 0.003 0.000 1.089 140 F CA -1.977 56.024 58.000 0.001 0.000 0.940 140 F CB 0.973 39.967 39.000 -0.010 0.000 1.273 140 F HN 0.328 nan 8.300 nan 0.000 0.450 141 R N 1.776 122.331 120.500 0.092 0.000 2.570 141 R HA 0.674 5.014 4.340 -0.001 0.000 0.277 141 R C -0.263 176.074 176.300 0.062 0.000 1.039 141 R CA 0.015 56.127 56.100 0.020 0.000 1.065 141 R CB 0.364 30.701 30.300 0.063 0.000 0.964 141 R HN 1.073 nan 8.270 nan 0.000 0.428 142 G N 2.162 110.939 108.800 -0.039 0.000 2.690 142 G HA2 0.495 4.455 3.960 -0.001 0.000 0.291 142 G HA3 0.495 4.455 3.960 -0.001 0.000 0.291 142 G C -1.264 173.628 174.900 -0.012 0.000 1.403 142 G CA -0.903 44.181 45.100 -0.027 0.000 0.864 142 G HN 0.425 nan 8.290 nan 0.000 0.480 143 I N 1.150 121.729 120.570 0.014 0.000 2.339 143 I HA 0.295 4.464 4.170 -0.001 0.000 0.290 143 I C 0.487 176.589 176.117 -0.025 0.000 0.994 143 I CA -0.672 60.625 61.300 -0.005 0.000 1.191 143 I CB 1.229 39.233 38.000 0.007 0.000 1.343 143 I HN 0.635 nan 8.210 nan 0.000 0.458 144 Q N 5.378 125.153 119.800 -0.042 0.000 2.392 144 Q HA 0.371 4.710 4.340 -0.001 0.000 0.262 144 Q C -1.046 174.915 176.000 -0.065 0.000 1.003 144 Q CA 0.367 56.126 55.803 -0.074 0.000 0.888 144 Q CB 0.960 29.662 28.738 -0.060 0.000 1.260 144 Q HN 0.531 nan 8.270 nan 0.000 0.435 145 I N 2.193 122.687 120.570 -0.128 0.000 2.569 145 I HA 0.291 4.461 4.170 -0.001 0.000 0.296 145 I C -0.221 175.825 176.117 -0.119 0.000 1.028 145 I CA -0.619 60.605 61.300 -0.128 0.000 1.082 145 I CB 2.199 40.065 38.000 -0.223 0.000 1.264 145 I HN 0.775 nan 8.210 nan 0.000 0.429 146 T N 0.506 115.023 114.554 -0.062 0.000 3.630 146 T HA 0.357 4.707 4.350 -0.001 0.000 0.238 146 T C -0.369 174.312 174.700 -0.030 0.000 1.195 146 T CA -0.589 61.478 62.100 -0.056 0.000 1.433 146 T CB -0.124 68.716 68.868 -0.046 0.000 0.940 146 T HN 0.526 nan 8.240 nan 0.000 0.641 147 S N -0.135 115.539 115.700 -0.044 0.000 2.561 147 S HA 0.764 5.233 4.470 -0.001 0.000 0.303 147 S C 0.120 174.690 174.600 -0.051 0.000 1.110 147 S CA -0.886 57.294 58.200 -0.034 0.000 1.034 147 S CB 1.604 64.811 63.200 0.012 0.000 1.010 147 S HN 0.714 nan 8.310 nan 0.000 0.482 148 G N 3.013 111.747 108.800 -0.110 0.000 2.873 148 G HA2 0.554 4.513 3.960 -0.001 0.000 0.340 148 G HA3 0.554 4.513 3.960 -0.001 0.000 0.340 148 G C -0.457 174.206 174.900 -0.396 0.000 1.171 148 G CA -0.682 44.325 45.100 -0.155 0.000 1.113 148 G HN 0.557 nan 8.290 nan 0.000 0.471 149 F N 0.997 120.662 119.950 -0.476 0.000 2.532 149 F HA 0.395 4.921 4.527 -0.001 0.000 0.323 149 F C 1.286 177.134 175.800 0.079 0.000 1.234 149 F CA 0.178 57.748 58.000 -0.716 0.000 1.323 149 F CB 0.160 38.239 39.000 -1.534 0.000 1.183 149 F HN 0.478 nan 8.300 nan 0.000 0.589 150 F N -0.990 119.243 119.950 0.471 0.000 2.699 150 F HA -0.318 4.209 4.527 -0.001 0.000 0.343 150 F C 1.165 176.994 175.800 0.048 0.000 0.633 150 F CA 1.255 59.325 58.000 0.117 0.000 1.365 150 F CB -1.474 37.324 39.000 -0.336 0.000 1.795 150 F HN 0.598 nan 8.300 nan 0.000 0.304 151 Q N -2.477 117.435 119.800 0.186 0.000 1.917 151 Q HA 0.211 4.550 4.340 -0.001 0.000 0.188 151 Q C 1.395 177.112 176.000 -0.472 0.000 0.674 151 Q CA 0.373 56.203 55.803 0.045 0.000 0.789 151 Q CB -0.140 28.621 28.738 0.039 0.000 1.231 151 Q HN 0.297 nan 8.270 nan 0.000 0.408 152 I N 0.339 120.420 120.570 -0.815 0.000 2.226 152 I HA -0.215 3.955 4.170 -0.001 0.000 0.245 152 I C 1.696 177.762 176.117 -0.084 0.000 1.100 152 I CA 1.388 62.214 61.300 -0.789 0.000 1.374 152 I CB -0.130 37.346 38.000 -0.874 0.000 1.057 152 I HN 0.359 nan 8.210 nan 0.000 0.413 153 W N 0.832 122.077 121.300 -0.092 0.000 2.425 153 W HA -0.089 4.570 4.660 -0.001 0.000 0.277 153 W C 2.568 179.200 176.519 0.188 0.000 1.231 153 W CA 0.747 58.102 57.345 0.017 0.000 1.248 153 W CB -0.619 28.725 29.460 -0.194 0.000 1.117 153 W HN 0.058 nan 8.180 nan 0.000 0.568 154 R N 0.343 121.158 120.500 0.525 0.000 2.117 154 R HA -0.162 4.177 4.340 -0.001 0.000 0.243 154 R C 2.177 178.718 176.300 0.401 0.000 1.143 154 R CA 1.568 57.987 56.100 0.533 0.000 0.968 154 R CB -1.395 29.209 30.300 0.506 0.000 0.863 154 R HN 0.142 nan 8.270 nan 0.000 0.444 155 A N 1.248 124.296 122.820 0.380 0.000 1.892 155 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 155 A C 1.242 178.997 177.584 0.285 0.000 1.188 155 A CA 1.430 53.662 52.037 0.326 0.000 0.631 155 A CB -0.753 18.499 19.000 0.419 0.000 0.822 155 A HN 0.468 nan 8.150 nan 0.000 0.447 156 S N -0.138 115.771 115.700 0.349 0.000 2.563 156 S HA 0.408 4.878 4.470 -0.001 0.000 0.294 156 S C 0.281 175.022 174.600 0.236 0.000 1.279 156 S CA -0.066 58.305 58.200 0.286 0.000 1.069 156 S CB 0.450 63.825 63.200 0.292 0.000 0.828 156 S HN 1.099 nan 8.310 nan 0.000 0.497 157 G N 2.648 111.563 108.800 0.193 0.000 2.544 157 G HA2 0.696 4.656 3.960 -0.001 0.000 0.313 157 G HA3 0.696 4.656 3.960 -0.001 0.000 0.313 157 G C 0.196 175.226 174.900 0.216 0.000 1.316 157 G CA -0.452 44.759 45.100 0.185 0.000 0.944 157 G HN 1.593 nan 8.290 nan 0.000 0.489 158 I N -1.630 119.045 120.570 0.175 0.000 4.647 158 I HA 0.022 4.191 4.170 -0.001 0.000 0.252 158 I C 0.241 176.426 176.117 0.115 0.000 0.951 158 I CA 0.161 61.575 61.300 0.190 0.000 1.566 158 I CB -0.975 37.173 38.000 0.246 0.000 2.446 158 I HN 0.857 nan 8.210 nan 0.000 0.673 159 T N 1.411 116.036 114.554 0.118 0.000 0.541 159 T HA 0.164 4.513 4.350 -0.001 0.000 0.774 159 T C -0.243 174.490 174.700 0.054 0.000 0.992 159 T CA 0.416 62.570 62.100 0.091 0.000 4.077 159 T CB -1.270 67.622 68.868 0.040 0.000 2.303 159 T HN 2.099 nan 8.240 nan 0.000 0.398 160 S N -0.909 114.813 115.700 0.036 0.000 2.941 160 S HA -0.057 4.412 4.470 -0.001 0.000 0.848 160 S C 0.814 175.409 174.600 -0.008 0.000 0.920 160 S CA 0.253 58.453 58.200 -0.000 0.000 1.411 160 S CB -0.502 62.693 63.200 -0.009 0.000 1.008 160 S HN 0.971 nan 8.310 nan 0.000 0.232 161 E N 0.643 120.825 120.200 -0.029 0.000 2.072 161 E HA -0.078 4.271 4.350 -0.001 0.000 0.191 161 E C 1.811 178.402 176.600 -0.016 0.000 0.985 161 E CA 1.364 57.741 56.400 -0.038 0.000 0.801 161 E CB -0.227 29.442 29.700 -0.051 0.000 0.750 161 E HN 0.577 nan 8.360 nan 0.000 0.452 162 L N 1.673 122.859 121.223 -0.063 0.000 2.131 162 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 162 L C 2.790 179.692 176.870 0.054 0.000 1.092 162 L CA 1.159 55.921 54.840 -0.129 0.000 0.759 162 L CB -0.704 41.203 42.059 -0.252 0.000 0.903 162 L HN 0.264 nan 8.230 nan 0.000 0.435 163 Q N 0.808 120.636 119.800 0.046 0.000 1.742 163 Q HA -0.183 4.157 4.340 -0.001 0.000 0.336 163 Q C 2.126 178.202 176.000 0.127 0.000 0.966 163 Q CA 1.024 56.876 55.803 0.081 0.000 0.893 163 Q CB -0.936 27.833 28.738 0.052 0.000 0.927 163 Q HN 0.291 nan 8.270 nan 0.000 0.417 164 L N -0.292 120.982 121.223 0.086 0.000 2.430 164 L HA -0.292 4.047 4.340 -0.001 0.000 0.218 164 L C 2.393 179.369 176.870 0.177 0.000 1.089 164 L CA 1.944 56.870 54.840 0.144 0.000 0.817 164 L CB -0.909 41.202 42.059 0.085 0.000 0.888 164 L HN 0.446 nan 8.230 nan 0.000 0.448 165 Y N -1.044 119.272 120.300 0.027 0.000 2.553 165 Y HA -0.097 4.453 4.550 -0.001 0.000 0.303 165 Y C 2.045 177.967 175.900 0.037 0.000 1.194 165 Y CA 0.447 58.575 58.100 0.047 0.000 1.305 165 Y CB 0.145 38.614 38.460 0.015 0.000 1.045 165 Y HN 0.295 nan 8.280 nan 0.000 0.514 166 C N -2.172 117.236 119.300 0.179 0.000 2.374 166 C HA -0.027 4.433 4.460 -0.001 0.000 0.412 166 C C 2.665 177.645 174.990 -0.016 0.000 1.421 166 C CA 0.745 59.819 59.018 0.092 0.000 2.484 166 C CB -0.564 27.219 27.740 0.073 0.000 2.598 166 C HN 0.591 nan 8.230 nan 0.000 0.584 167 T N 1.552 116.076 114.554 -0.051 0.000 2.760 167 T HA -0.220 4.130 4.350 -0.001 0.000 0.269 167 T C 1.774 176.319 174.700 -0.258 0.000 1.047 167 T CA 2.088 64.070 62.100 -0.197 0.000 1.139 167 T CB -0.542 68.169 68.868 -0.261 0.000 0.855 167 T HN 0.562 nan 8.240 nan 0.000 0.471 168 A N 1.695 124.443 122.820 -0.120 0.000 1.855 168 A HA 0.162 4.481 4.320 -0.001 0.000 0.215 168 A C 2.417 179.947 177.584 -0.091 0.000 1.191 168 A CA 1.476 53.473 52.037 -0.068 0.000 0.613 168 A CB -0.692 18.320 19.000 0.019 0.000 0.829 168 A HN 0.602 nan 8.150 nan 0.000 0.442 169 I N -0.273 120.245 120.570 -0.087 0.000 2.500 169 I HA -0.073 4.096 4.170 -0.001 0.000 0.252 169 I C 2.626 178.702 176.117 -0.069 0.000 1.142 169 I CA 0.765 62.020 61.300 -0.074 0.000 1.451 169 I CB -0.636 37.337 38.000 -0.046 0.000 1.093 169 I HN 0.363 nan 8.210 nan 0.000 0.430 170 G N 1.081 109.828 108.800 -0.090 0.000 2.507 170 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.221 170 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.221 170 G C 1.839 176.608 174.900 -0.219 0.000 1.119 170 G CA 1.054 46.075 45.100 -0.131 0.000 0.751 170 G HN 0.500 nan 8.290 nan 0.000 0.574 171 A N 0.339 123.029 122.820 -0.216 0.000 1.855 171 A HA 0.162 4.481 4.320 -0.001 0.000 0.215 171 A C 2.346 179.840 177.584 -0.149 0.000 1.191 171 A CA 1.391 53.296 52.037 -0.219 0.000 0.613 171 A CB -0.447 18.509 19.000 -0.074 0.000 0.829 171 A HN 0.417 nan 8.150 nan 0.000 0.442 172 L N 0.581 121.760 121.223 -0.073 0.000 2.362 172 L HA -0.087 4.252 4.340 -0.001 0.000 0.219 172 L C 2.395 179.246 176.870 -0.033 0.000 1.134 172 L CA 1.248 56.065 54.840 -0.037 0.000 0.807 172 L CB -0.210 41.826 42.059 -0.039 0.000 0.927 172 L HN 0.395 nan 8.230 nan 0.000 0.447 173 V N -2.941 116.959 119.914 -0.023 0.000 2.229 173 V HA -0.182 3.938 4.120 -0.001 0.000 0.243 173 V C 1.139 177.227 176.094 -0.009 0.000 1.042 173 V CA 0.662 62.970 62.300 0.013 0.000 1.000 173 V CB -1.283 30.582 31.823 0.070 0.000 0.637 173 V HN 0.117 nan 8.190 nan 0.000 0.446 174 F N 3.354 123.070 119.950 -0.391 0.000 2.531 174 F HA 0.602 5.129 4.527 -0.001 0.000 0.340 174 F C 0.703 176.209 175.800 -0.489 0.000 1.247 174 F CA 0.451 58.094 58.000 -0.596 0.000 1.027 174 F CB -1.427 36.849 39.000 -1.208 0.000 1.241 174 F HN 0.747 nan 8.300 nan 0.000 0.622 175 A N 1.454 124.253 122.820 -0.035 0.000 2.078 175 A HA 0.458 4.777 4.320 -0.001 0.000 0.568 175 A C 0.556 178.140 177.584 0.001 0.000 0.224 175 A CA -0.419 51.657 52.037 0.066 0.000 0.259 175 A CB -0.904 18.172 19.000 0.127 0.000 3.233 175 A HN 1.729 nan 8.150 nan 0.000 0.482 176 G N 0.117 108.909 108.800 -0.013 0.000 2.900 176 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.223 176 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.223 176 G C 1.254 176.192 174.900 0.063 0.000 1.293 176 G CA 0.845 45.942 45.100 -0.004 0.000 0.792 176 G HN 1.562 nan 8.290 nan 0.000 0.527 177 L N 0.023 121.240 121.223 -0.009 0.000 2.116 177 L HA 0.393 4.733 4.340 -0.001 0.000 0.200 177 L C 2.449 179.233 176.870 -0.144 0.000 1.084 177 L CA 1.170 55.970 54.840 -0.066 0.000 0.766 177 L CB -0.255 41.696 42.059 -0.179 0.000 0.930 177 L HN 0.363 nan 8.230 nan 0.000 0.453 178 M N 0.959 120.451 119.600 -0.181 0.000 3.201 178 M HA -0.030 4.449 4.480 -0.001 0.000 0.194 178 M C 0.404 176.628 176.300 -0.126 0.000 1.313 178 M CA 0.607 55.782 55.300 -0.208 0.000 1.332 178 M CB -0.021 32.588 32.600 0.015 0.000 1.542 178 M HN 0.253 nan 8.290 nan 0.000 0.428 179 L N -1.287 119.868 121.223 -0.113 0.000 4.478 179 L HA 0.102 4.441 4.340 -0.001 0.000 0.444 179 L C -0.307 176.505 176.870 -0.097 0.000 1.013 179 L CA 0.335 55.130 54.840 -0.075 0.000 1.688 179 L CB 0.037 42.051 42.059 -0.075 0.000 1.834 179 L HN 0.248 nan 8.230 nan 0.000 0.629 180 F N 0.685 120.610 119.950 -0.042 0.000 2.695 180 F HA 0.388 4.915 4.527 -0.001 0.000 0.303 180 F C 1.984 177.814 175.800 0.051 0.000 1.091 180 F CA 0.767 58.781 58.000 0.023 0.000 1.300 180 F CB 0.290 39.254 39.000 -0.061 0.000 1.071 180 F HN 0.118 nan 8.300 nan 0.000 0.578 181 A N -0.653 122.214 122.820 0.078 0.000 2.123 181 A HA 0.224 4.544 4.320 -0.001 0.000 0.214 181 A C 2.415 180.118 177.584 0.200 0.000 1.152 181 A CA 1.185 53.230 52.037 0.013 0.000 0.728 181 A CB -0.922 17.790 19.000 -0.480 0.000 0.814 181 A HN 0.339 nan 8.150 nan 0.000 0.464 182 G N -1.907 107.074 108.800 0.303 0.000 2.539 182 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.215 182 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.215 182 G C 1.263 176.273 174.900 0.185 0.000 1.141 182 G CA 0.591 45.865 45.100 0.290 0.000 0.806 182 G HN 0.621 nan 8.290 nan 0.000 0.533 183 W N 0.662 122.032 121.300 0.116 0.000 2.378 183 W HA 0.085 4.745 4.660 -0.001 0.000 0.313 183 W C 1.597 178.237 176.519 0.202 0.000 1.197 183 W CA 0.603 58.063 57.345 0.192 0.000 1.304 183 W CB -0.230 29.509 29.460 0.465 0.000 1.148 183 W HN 0.064 nan 8.180 nan 0.000 0.494 184 F N 0.655 120.877 119.950 0.453 0.000 2.753 184 F HA -0.045 4.481 4.527 -0.001 0.000 0.299 184 F C 0.973 176.680 175.800 -0.154 0.000 1.265 184 F CA 0.871 59.003 58.000 0.219 0.000 1.453 184 F CB -0.877 38.171 39.000 0.080 0.000 1.118 184 F HN -0.028 nan 8.300 nan 0.000 0.579 185 H N -2.821 116.270 119.070 0.035 0.000 4.528 185 H HA 0.100 4.655 4.556 -0.001 0.000 0.354 185 H C 1.212 176.449 175.328 -0.152 0.000 1.295 185 H CA -0.081 55.895 56.048 -0.120 0.000 0.752 185 H CB -1.052 28.689 29.762 -0.034 0.000 1.173 185 H HN -0.077 nan 8.280 nan 0.000 0.650 186 Y N 1.519 121.826 120.300 0.013 0.000 2.110 186 Y HA -0.424 4.125 4.550 -0.001 0.000 0.258 186 Y C 2.882 178.718 175.900 -0.107 0.000 1.271 186 Y CA 2.816 60.877 58.100 -0.065 0.000 1.080 186 Y CB -0.549 37.892 38.460 -0.032 0.000 0.892 186 Y HN 0.477 nan 8.280 nan 0.000 0.510 187 H N 0.010 118.982 119.070 -0.163 0.000 2.319 187 H HA -0.075 4.481 4.556 -0.001 0.000 0.299 187 H C 0.842 175.768 175.328 -0.669 0.000 1.092 187 H CA 1.634 57.441 56.048 -0.401 0.000 1.302 187 H CB -0.598 28.785 29.762 -0.632 0.000 1.373 187 H HN 0.255 nan 8.280 nan 0.000 0.497 188 K N 0.797 120.728 120.400 -0.782 0.000 2.355 188 K HA 0.250 4.570 4.320 -0.001 0.000 0.270 188 K C 1.185 177.565 176.600 -0.367 0.000 1.003 188 K CA 0.535 56.441 56.287 -0.635 0.000 0.957 188 K CB 0.697 32.908 32.500 -0.482 0.000 0.939 188 K HN 0.082 nan 8.250 nan 0.000 0.482 189 A N 3.152 125.820 122.820 -0.254 0.000 1.948 189 A HA 0.146 4.466 4.320 -0.001 0.000 0.220 189 A C 0.919 178.350 177.584 -0.255 0.000 1.177 189 A CA 1.713 53.618 52.037 -0.219 0.000 0.636 189 A CB -1.354 17.568 19.000 -0.131 0.000 0.815 189 A HN 1.869 nan 8.150 nan 0.000 0.449 190 A N -2.875 119.796 122.820 -0.248 0.000 2.528 190 A HA 0.183 4.502 4.320 -0.001 0.000 0.683 190 A C -2.450 174.982 177.584 -0.254 0.000 0.213 190 A CA -0.111 51.758 52.037 -0.280 0.000 0.072 190 A CB -2.148 16.638 19.000 -0.358 0.000 3.954 190 A HN 0.499 nan 8.150 nan 0.000 0.547 191 P HA 0.688 nan 4.420 nan 0.000 0.277 191 P C -0.158 177.030 177.300 -0.186 0.000 1.271 191 P CA -0.201 62.748 63.100 -0.253 0.000 0.795 191 P CB 0.544 32.007 31.700 -0.395 0.000 1.101 192 K N -0.566 119.785 120.400 -0.082 0.000 2.430 192 K HA 0.358 4.677 4.320 -0.001 0.000 0.268 192 K C 0.927 177.665 176.600 0.231 0.000 1.043 192 K CA -0.888 55.421 56.287 0.037 0.000 0.899 192 K CB 0.833 33.357 32.500 0.040 0.000 1.472 192 K HN 0.068 nan 8.250 nan 0.000 0.451 193 L N 1.059 122.478 121.223 0.326 0.000 2.012 193 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 193 L C 2.324 179.474 176.870 0.466 0.000 1.073 193 L CA 2.273 57.478 54.840 0.609 0.000 0.748 193 L CB -1.465 40.731 42.059 0.228 0.000 0.891 193 L HN 0.921 nan 8.230 nan 0.000 0.431 194 A N -1.271 121.700 122.820 0.252 0.000 1.917 194 A HA -0.291 4.028 4.320 -0.001 0.000 0.219 194 A C 2.130 179.829 177.584 0.191 0.000 1.182 194 A CA 1.787 53.893 52.037 0.114 0.000 0.633 194 A CB -1.116 17.942 19.000 0.097 0.000 0.819 194 A HN 0.565 nan 8.150 nan 0.000 0.448 195 W N 0.509 121.921 121.300 0.186 0.000 2.338 195 W HA -0.240 4.419 4.660 -0.001 0.000 0.304 195 W C 2.160 178.781 176.519 0.171 0.000 1.212 195 W CA 2.373 59.796 57.345 0.130 0.000 1.264 195 W CB -0.397 29.100 29.460 0.061 0.000 1.142 195 W HN 0.518 nan 8.180 nan 0.000 0.512 196 F N -1.515 118.538 119.950 0.172 0.000 2.149 196 F HA 0.006 4.533 4.527 -0.001 0.000 0.294 196 F C 2.043 177.785 175.800 -0.096 0.000 1.095 196 F CA 0.868 58.866 58.000 -0.003 0.000 1.276 196 F CB -1.191 37.807 39.000 -0.003 0.000 1.023 196 F HN -0.202 nan 8.300 nan 0.000 0.480 197 Q N 1.118 120.469 119.800 -0.749 0.000 2.415 197 Q HA 0.078 4.418 4.340 -0.001 0.000 0.206 197 Q C -0.923 174.893 176.000 -0.306 0.000 0.946 197 Q CA 0.240 55.650 55.803 -0.655 0.000 0.951 197 Q CB -0.338 27.864 28.738 -0.893 0.000 1.026 197 Q HN 0.284 nan 8.270 nan 0.000 0.510 198 D N -0.430 119.850 120.400 -0.200 0.000 2.427 198 D HA 0.073 4.713 4.640 -0.001 0.000 0.226 198 D C 0.495 176.693 176.300 -0.171 0.000 1.076 198 D CA -0.095 53.809 54.000 -0.159 0.000 0.849 198 D CB 1.831 42.555 40.800 -0.127 0.000 1.052 198 D HN -0.073 nan 8.370 nan 0.000 0.515 199 V N 3.449 123.269 119.914 -0.157 0.000 2.515 199 V HA -0.207 3.912 4.120 -0.001 0.000 0.250 199 V C 2.098 178.126 176.094 -0.110 0.000 1.058 199 V CA 1.449 63.669 62.300 -0.133 0.000 1.064 199 V CB -0.264 31.491 31.823 -0.114 0.000 0.675 199 V HN 0.546 nan 8.190 nan 0.000 0.461 200 E N 0.923 121.068 120.200 -0.092 0.000 2.187 200 E HA -0.253 4.097 4.350 -0.001 0.000 0.199 200 E C 2.259 178.861 176.600 0.004 0.000 1.004 200 E CA 1.789 58.166 56.400 -0.039 0.000 0.813 200 E CB -0.328 29.354 29.700 -0.030 0.000 0.736 200 E HN 0.790 nan 8.360 nan 0.000 0.468 201 S N 0.608 116.311 115.700 0.004 0.000 2.436 201 S HA -0.060 4.410 4.470 -0.001 0.000 0.228 201 S C 2.020 176.689 174.600 0.115 0.000 1.014 201 S CA 0.344 58.590 58.200 0.077 0.000 0.950 201 S CB -0.159 63.121 63.200 0.132 0.000 0.784 201 S HN 0.134 nan 8.310 nan 0.000 0.504 202 M N 1.253 120.895 119.600 0.070 0.000 2.082 202 M HA -0.078 4.401 4.480 -0.001 0.000 0.258 202 M C 1.966 178.436 176.300 0.283 0.000 1.069 202 M CA 1.653 57.040 55.300 0.146 0.000 1.102 202 M CB -0.478 32.168 32.600 0.076 0.000 1.336 202 M HN 0.373 nan 8.290 nan 0.000 0.404 203 L N -0.374 120.935 121.223 0.143 0.000 2.083 203 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 203 L C 0.842 177.794 176.870 0.137 0.000 1.083 203 L CA 0.486 55.397 54.840 0.118 0.000 0.752 203 L CB -0.831 41.246 42.059 0.030 0.000 0.899 203 L HN 0.308 nan 8.230 nan 0.000 0.433 204 N N 0.158 118.932 118.700 0.124 0.000 2.434 204 N HA -0.006 4.734 4.740 -0.001 0.000 0.268 204 N C -0.100 175.503 175.510 0.156 0.000 1.256 204 N CA 0.467 53.572 53.050 0.092 0.000 0.914 204 N CB 0.587 39.128 38.487 0.091 0.000 1.088 204 N HN 0.355 nan 8.380 nan 0.000 0.478 205 H N 0.386 119.451 119.070 -0.009 0.000 4.656 205 H HA -0.231 4.325 4.556 -0.001 0.000 0.067 205 H C 1.067 176.355 175.328 -0.066 0.000 0.629 205 H CA 1.031 57.049 56.048 -0.051 0.000 0.891 205 H CB -0.906 28.806 29.762 -0.084 0.000 0.406 205 H HN 0.704 nan 8.280 nan 0.000 0.817 206 H N 0.915 120.060 119.070 0.125 0.000 2.306 206 H HA -0.226 4.329 4.556 -0.001 0.000 0.289 206 H C 2.288 177.532 175.328 -0.140 0.000 1.081 206 H CA 2.874 58.924 56.048 0.004 0.000 1.163 206 H CB -0.376 29.381 29.762 -0.009 0.000 1.357 206 H HN 0.347 nan 8.280 nan 0.000 0.524 207 L N -1.132 120.042 121.223 -0.082 0.000 2.201 207 L HA 0.055 4.395 4.340 -0.001 0.000 0.212 207 L C 2.421 179.107 176.870 -0.306 0.000 1.105 207 L CA 1.793 56.359 54.840 -0.457 0.000 0.775 207 L CB -0.880 40.971 42.059 -0.346 0.000 0.913 207 L HN 0.276 nan 8.230 nan 0.000 0.440 208 A N 0.502 123.260 122.820 -0.102 0.000 1.841 208 A HA 0.294 4.613 4.320 -0.001 0.000 0.214 208 A C 1.867 179.427 177.584 -0.039 0.000 1.195 208 A CA 1.138 53.128 52.037 -0.078 0.000 0.611 208 A CB -1.190 17.686 19.000 -0.206 0.000 0.835 208 A HN 0.537 nan 8.150 nan 0.000 0.443 209 G N -1.497 107.281 108.800 -0.037 0.000 4.943 209 G HA2 0.512 4.471 3.960 -0.001 0.000 0.315 209 G HA3 0.512 4.471 3.960 -0.001 0.000 0.315 209 G C -0.259 174.658 174.900 0.027 0.000 1.437 209 G CA 0.537 45.641 45.100 0.007 0.000 1.027 209 G HN 0.799 nan 8.290 nan 0.000 0.567 210 L N -0.335 120.899 121.223 0.017 0.000 1.240 210 L HA 0.102 4.441 4.340 -0.001 0.000 0.056 210 L C 1.017 177.890 176.870 0.004 0.000 1.516 210 L CA -0.019 54.840 54.840 0.032 0.000 1.123 210 L CB -0.803 41.277 42.059 0.035 0.000 2.272 210 L HN 0.139 nan 8.230 nan 0.000 0.440 211 L N 1.205 122.359 121.223 -0.115 0.000 1.997 211 L HA -0.142 4.197 4.340 -0.001 0.000 0.216 211 L C 2.350 179.252 176.870 0.054 0.000 1.074 211 L CA 2.779 57.462 54.840 -0.263 0.000 0.763 211 L CB -2.084 39.354 42.059 -1.035 0.000 0.890 211 L HN 0.688 nan 8.230 nan 0.000 0.434 212 G N -0.473 108.376 108.800 0.081 0.000 2.496 212 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.214 212 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.214 212 G C 1.322 176.304 174.900 0.137 0.000 1.234 212 G CA 0.042 45.269 45.100 0.211 0.000 0.807 212 G HN 0.261 nan 8.290 nan 0.000 0.543 213 L N 1.763 123.041 121.223 0.092 0.000 2.784 213 L HA 0.264 4.604 4.340 -0.001 0.000 0.247 213 L C 1.193 178.132 176.870 0.113 0.000 1.162 213 L CA 0.710 55.606 54.840 0.093 0.000 0.881 213 L CB -0.536 41.568 42.059 0.075 0.000 1.032 213 L HN 0.258 nan 8.230 nan 0.000 0.446 214 G N -3.351 105.524 108.800 0.126 0.000 2.719 214 G HA2 0.456 4.415 3.960 -0.001 0.000 0.298 214 G HA3 0.456 4.415 3.960 -0.001 0.000 0.298 214 G C 0.207 175.207 174.900 0.167 0.000 1.433 214 G CA 0.449 45.641 45.100 0.153 0.000 1.034 214 G HN -0.121 nan 8.290 nan 0.000 0.517 215 S N 1.422 117.274 115.700 0.254 0.000 1.352 215 S HA -0.246 4.223 4.470 -0.001 0.000 0.248 215 S C 1.569 176.326 174.600 0.262 0.000 0.649 215 S CA 1.183 59.534 58.200 0.252 0.000 1.126 215 S CB -1.622 61.629 63.200 0.084 0.000 1.240 215 S HN 1.116 nan 8.310 nan 0.000 0.498 216 L N 1.954 123.286 121.223 0.182 0.000 1.937 216 L HA 0.072 4.411 4.340 -0.001 0.000 0.213 216 L C 2.416 179.363 176.870 0.129 0.000 1.077 216 L CA 2.985 57.902 54.840 0.128 0.000 0.758 216 L CB -1.636 40.482 42.059 0.099 0.000 0.888 216 L HN 0.681 nan 8.230 nan 0.000 0.433 217 S N -0.438 115.345 115.700 0.140 0.000 2.380 217 S HA -0.289 4.181 4.470 -0.001 0.000 0.229 217 S C 1.775 176.491 174.600 0.194 0.000 1.043 217 S CA 1.845 60.124 58.200 0.132 0.000 1.038 217 S CB -0.589 62.695 63.200 0.139 0.000 0.872 217 S HN 0.649 nan 8.310 nan 0.000 0.456 218 W N 1.807 123.161 121.300 0.091 0.000 2.363 218 W HA -0.186 4.473 4.660 -0.001 0.000 0.296 218 W C 2.320 178.920 176.519 0.135 0.000 1.212 218 W CA 1.154 58.586 57.345 0.145 0.000 1.260 218 W CB -0.638 28.944 29.460 0.202 0.000 1.131 218 W HN 0.444 nan 8.180 nan 0.000 0.530 219 A N 1.390 124.258 122.820 0.079 0.000 1.859 219 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 219 A C 1.761 179.200 177.584 -0.241 0.000 1.198 219 A CA 2.722 54.700 52.037 -0.099 0.000 0.629 219 A CB -1.626 17.363 19.000 -0.018 0.000 0.830 219 A HN 0.252 nan 8.150 nan 0.000 0.446 220 R N -0.380 120.005 120.500 -0.192 0.000 3.152 220 R HA 0.262 4.601 4.340 -0.001 0.000 0.209 220 R C 0.432 176.662 176.300 -0.118 0.000 1.649 220 R CA 1.004 56.933 56.100 -0.284 0.000 1.185 220 R CB -1.768 nan 30.300 nan 0.000 1.258 220 R HN 0.887 nan 8.270 nan 0.000 0.656 221 H N -1.246 117.636 119.070 -0.314 0.000 3.352 221 H HA -0.097 4.458 4.556 -0.001 0.000 0.171 221 H C 0.131 175.127 175.328 -0.554 0.000 0.826 221 H CA 0.806 56.670 56.048 -0.306 0.000 1.154 221 H CB -0.819 28.795 29.762 -0.248 0.000 1.029 221 H HN 0.673 nan 8.280 nan 0.000 0.417 222 Q N 0.682 120.165 119.800 -0.528 0.000 2.118 222 Q HA 0.326 4.665 4.340 -0.001 0.000 0.219 222 Q C 0.338 176.167 176.000 -0.286 0.000 0.794 222 Q CA 0.703 56.176 55.803 -0.550 0.000 1.035 222 Q CB 1.261 29.556 28.738 -0.738 0.000 1.177 222 Q HN 0.247 nan 8.270 nan 0.000 0.478 223 V N -1.309 118.476 119.914 -0.215 0.000 3.339 223 V HA 0.079 4.199 4.120 -0.001 0.000 0.201 223 V C -0.560 175.523 176.094 -0.017 0.000 1.489 223 V CA -0.033 62.177 62.300 -0.149 0.000 1.228 223 V CB 0.355 31.963 31.823 -0.359 0.000 1.152 223 V HN 0.269 nan 8.190 nan 0.000 0.519 224 H N 2.127 121.081 119.070 -0.192 0.000 3.217 224 H HA 0.323 4.878 4.556 -0.001 0.000 0.272 224 H C 1.095 176.353 175.328 -0.116 0.000 0.929 224 H CA 1.706 57.698 56.048 -0.092 0.000 1.425 224 H CB 0.409 30.121 29.762 -0.083 0.000 1.505 224 H HN 0.783 nan 8.280 nan 0.000 0.542 225 V N 1.155 121.127 119.914 0.097 0.000 0.484 225 V HA -0.390 3.730 4.120 -0.001 0.000 0.092 225 V C 1.879 178.014 176.094 0.068 0.000 2.388 225 V CA 2.093 64.468 62.300 0.125 0.000 3.640 225 V CB -1.913 29.850 31.823 -0.099 0.000 0.922 225 V HN 0.691 nan 8.190 nan 0.000 0.967 226 S N 2.052 117.716 115.700 -0.060 0.000 2.341 226 S HA 0.173 4.642 4.470 -0.001 0.000 0.216 226 S C 1.849 176.487 174.600 0.062 0.000 1.034 226 S CA 1.433 59.625 58.200 -0.013 0.000 0.964 226 S CB -0.546 62.597 63.200 -0.096 0.000 0.882 226 S HN 1.016 nan 8.310 nan 0.000 0.469 227 L N 2.399 123.649 121.223 0.045 0.000 1.997 227 L HA -0.088 4.252 4.340 -0.001 0.000 0.216 227 L C -0.284 176.673 176.870 0.145 0.000 1.074 227 L CA 2.027 56.929 54.840 0.104 0.000 0.763 227 L CB -1.922 40.209 42.059 0.120 0.000 0.890 227 L HN 0.356 nan 8.230 nan 0.000 0.434 228 P HA -0.132 nan 4.420 nan 0.000 0.217 228 P C 1.332 178.785 177.300 0.254 0.000 1.151 228 P CA 1.323 64.513 63.100 0.150 0.000 0.828 228 P CB -0.022 31.738 31.700 0.100 0.000 0.788 229 I N 0.788 121.498 120.570 0.233 0.000 3.688 229 I HA -0.017 4.153 4.170 -0.001 0.000 0.307 229 I C 0.571 176.792 176.117 0.175 0.000 1.287 229 I CA 0.531 61.982 61.300 0.252 0.000 1.192 229 I CB -1.333 36.793 38.000 0.210 0.000 1.043 229 I HN 0.100 nan 8.210 nan 0.000 0.442 230 N N -2.541 116.271 118.700 0.186 0.000 1.872 230 N HA -0.051 4.688 4.740 -0.001 0.000 0.223 230 N C 1.097 176.692 175.510 0.142 0.000 1.424 230 N CA -0.097 53.030 53.050 0.129 0.000 0.710 230 N CB -0.325 38.231 38.487 0.115 0.000 1.074 230 N HN 0.029 nan 8.380 nan 0.000 0.544 231 Q N 0.563 120.489 119.800 0.210 0.000 2.123 231 Q HA 0.221 4.560 4.340 -0.001 0.000 0.196 231 Q C 0.322 176.474 176.000 0.252 0.000 0.958 231 Q CA 1.295 57.213 55.803 0.191 0.000 0.841 231 Q CB -0.095 28.735 28.738 0.154 0.000 0.915 231 Q HN 0.488 nan 8.270 nan 0.000 0.455 232 F N -1.316 118.644 119.950 0.016 0.000 2.850 232 F HA 0.395 4.921 4.527 -0.001 0.000 0.306 232 F C 0.248 176.050 175.800 0.003 0.000 1.162 232 F CA -0.731 57.272 58.000 0.004 0.000 1.327 232 F CB -0.531 38.464 39.000 -0.008 0.000 0.953 232 F HN 0.081 nan 8.300 nan 0.000 0.507 233 L N 0.286 121.492 121.223 -0.028 0.000 2.425 233 L HA 0.229 4.569 4.340 -0.001 0.000 0.215 233 L C 0.648 177.492 176.870 -0.042 0.000 1.065 233 L CA 0.254 55.025 54.840 -0.116 0.000 0.842 233 L CB -0.054 41.969 42.059 -0.059 0.000 1.033 233 L HN 0.042 nan 8.230 nan 0.000 0.474 234 N N 1.207 119.913 118.700 0.010 0.000 2.938 234 N HA 0.043 4.783 4.740 -0.001 0.000 0.286 234 N C 0.384 175.898 175.510 0.006 0.000 1.316 234 N CA 0.723 53.776 53.050 0.005 0.000 1.063 234 N CB 0.414 38.897 38.487 -0.007 0.000 1.388 234 N HN 0.377 nan 8.380 nan 0.000 0.545 235 A N -1.696 121.117 122.820 -0.013 0.000 1.660 235 A HA 0.626 4.946 4.320 -0.001 0.000 0.204 235 A C 0.904 178.465 177.584 -0.039 0.000 1.880 235 A CA 0.555 52.583 52.037 -0.014 0.000 1.437 235 A CB 0.209 19.211 19.000 0.003 0.000 1.444 235 A HN 0.491 nan 8.150 nan 0.000 0.360 236 G N -1.626 107.130 108.800 -0.074 0.000 2.316 236 G HA2 0.530 4.489 3.960 -0.001 0.000 0.349 236 G HA3 0.530 4.489 3.960 -0.001 0.000 0.349 236 G C -0.061 174.759 174.900 -0.133 0.000 1.274 236 G CA 0.289 45.333 45.100 -0.094 0.000 1.018 236 G HN 2.190 nan 8.290 nan 0.000 0.486 237 V N -5.585 114.253 119.914 -0.126 0.000 2.593 237 V HA 0.421 4.540 4.120 -0.001 0.000 0.319 237 V C -2.148 173.871 176.094 -0.126 0.000 1.970 237 V CA -0.151 62.066 62.300 -0.138 0.000 0.859 237 V CB 0.216 31.912 31.823 -0.212 0.000 1.161 237 V HN 1.565 nan 8.190 nan 0.000 0.289 238 D N 1.439 121.766 120.400 -0.122 0.000 2.620 238 D HA 0.667 5.306 4.640 -0.001 0.000 0.252 238 D C -3.025 173.202 176.300 -0.122 0.000 1.207 238 D CA -1.158 52.774 54.000 -0.113 0.000 0.884 238 D CB 2.062 42.809 40.800 -0.087 0.000 1.262 238 D HN 0.522 nan 8.370 nan 0.000 0.552 239 P HA -0.046 nan 4.420 nan 0.000 0.265 239 P C 0.601 177.842 177.300 -0.097 0.000 1.187 239 P CA 0.468 63.488 63.100 -0.133 0.000 0.766 239 P CB 0.559 32.186 31.700 -0.122 0.000 0.820 240 K N 2.135 122.480 120.400 -0.091 0.000 3.553 240 K HA -0.233 4.086 4.320 -0.001 0.000 0.303 240 K C 1.071 177.640 176.600 -0.052 0.000 1.327 240 K CA 1.724 57.980 56.287 -0.053 0.000 0.983 240 K CB -2.327 30.154 32.500 -0.032 0.000 1.275 240 K HN 0.347 nan 8.250 nan 0.000 0.453 241 E N 1.219 121.374 120.200 -0.074 0.000 2.106 241 E HA -0.098 4.251 4.350 -0.001 0.000 0.192 241 E C 1.719 178.270 176.600 -0.081 0.000 0.984 241 E CA 1.843 58.200 56.400 -0.070 0.000 0.806 241 E CB -0.123 29.526 29.700 -0.085 0.000 0.750 241 E HN 0.768 nan 8.360 nan 0.000 0.458 242 I N -0.783 119.695 120.570 -0.153 0.000 2.270 242 I HA 0.117 4.286 4.170 -0.001 0.000 0.239 242 I C -1.278 174.850 176.117 0.017 0.000 1.080 242 I CA -0.114 61.098 61.300 -0.147 0.000 1.383 242 I CB -1.257 36.405 38.000 -0.564 0.000 1.097 242 I HN -0.111 nan 8.210 nan 0.000 0.420 243 P HA 0.440 nan 4.420 nan 0.000 0.307 243 P C -0.804 176.469 177.300 -0.045 0.000 1.450 243 P CA -0.335 62.755 63.100 -0.015 0.000 1.026 243 P CB 2.291 34.003 31.700 0.020 0.000 1.040 244 L N 5.838 126.994 121.223 -0.112 0.000 2.452 244 L HA 0.177 4.517 4.340 -0.001 0.000 0.267 244 L C -0.552 176.297 176.870 -0.036 0.000 1.188 244 L CA -1.554 53.248 54.840 -0.065 0.000 0.821 244 L CB 0.395 42.405 42.059 -0.082 0.000 1.102 244 L HN 0.249 nan 8.230 nan 0.000 0.470 245 P HA -0.154 nan 4.420 nan 0.000 0.219 245 P C 0.533 178.358 177.300 0.874 0.000 1.150 245 P CA 1.659 65.013 63.100 0.425 0.000 0.814 245 P CB 0.100 31.938 31.700 0.229 0.000 0.787 246 H N -3.268 116.109 119.070 0.512 0.000 3.205 246 H HA 0.262 4.818 4.556 -0.001 0.000 0.252 246 H C 1.109 176.867 175.328 0.717 0.000 1.015 246 H CA -0.078 56.450 56.048 0.799 0.000 1.192 246 H CB -0.512 29.440 29.762 0.317 0.000 1.474 246 H HN -0.097 nan 8.280 nan 0.000 0.484 247 E N 0.808 121.167 120.200 0.263 0.000 5.305 247 E HA -0.272 4.077 4.350 -0.001 0.000 0.174 247 E C -0.108 176.523 176.600 0.052 0.000 1.192 247 E CA 2.183 58.541 56.400 -0.070 0.000 1.836 247 E CB -1.896 27.484 29.700 -0.534 0.000 1.849 247 E HN 0.715 nan 8.360 nan 0.000 0.340 248 F N -0.254 119.731 119.950 0.058 0.000 2.471 248 F HA 0.642 5.168 4.527 -0.001 0.000 0.318 248 F C 0.816 176.624 175.800 0.013 0.000 1.308 248 F CA -0.798 57.218 58.000 0.026 0.000 1.162 248 F CB 0.513 39.533 39.000 0.034 0.000 1.383 248 F HN -0.023 nan 8.300 nan 0.000 0.552 249 I N -0.206 120.472 120.570 0.181 0.000 3.130 249 I HA 0.221 4.390 4.170 -0.001 0.000 0.165 249 I C 1.074 177.224 176.117 0.054 0.000 0.439 249 I CA -0.622 60.733 61.300 0.091 0.000 2.970 249 I CB 0.555 38.614 38.000 0.098 0.000 1.389 249 I HN 0.203 nan 8.210 nan 0.000 0.497 250 L N 2.170 123.426 121.223 0.055 0.000 2.468 250 L HA -0.249 4.090 4.340 -0.001 0.000 0.225 250 L C 1.686 178.580 176.870 0.039 0.000 1.139 250 L CA 1.664 56.533 54.840 0.049 0.000 0.792 250 L CB -0.850 41.236 42.059 0.044 0.000 0.916 250 L HN 0.591 nan 8.230 nan 0.000 0.446 251 N N 0.889 119.609 118.700 0.034 0.000 2.216 251 N HA -0.123 4.616 4.740 -0.001 0.000 0.183 251 N C 0.294 175.810 175.510 0.011 0.000 1.017 251 N CA 0.701 53.763 53.050 0.020 0.000 0.861 251 N CB 0.139 38.636 38.487 0.016 0.000 0.986 251 N HN 0.222 nan 8.380 nan 0.000 0.428 252 R N 0.664 121.172 120.500 0.013 0.000 2.210 252 R HA 0.222 4.561 4.340 -0.001 0.000 0.338 252 R C 0.358 176.652 176.300 -0.011 0.000 1.062 252 R CA -0.329 55.771 56.100 -0.000 0.000 0.902 252 R CB 0.440 30.740 30.300 -0.001 0.000 1.050 252 R HN -0.036 nan 8.270 nan 0.000 0.461 253 D N 2.117 122.500 120.400 -0.028 0.000 2.183 253 D HA -0.055 4.584 4.640 -0.001 0.000 0.203 253 D C 1.136 177.399 176.300 -0.063 0.000 0.969 253 D CA 0.937 54.911 54.000 -0.044 0.000 0.842 253 D CB 0.425 41.194 40.800 -0.051 0.000 0.957 253 D HN 0.318 nan 8.370 nan 0.000 0.484 254 L N 0.568 121.749 121.223 -0.070 0.000 2.131 254 L HA -0.019 4.320 4.340 -0.001 0.000 0.206 254 L C 2.399 179.226 176.870 -0.072 0.000 1.087 254 L CA 0.585 55.362 54.840 -0.106 0.000 0.767 254 L CB -1.195 40.785 42.059 -0.133 0.000 0.917 254 L HN 0.210 nan 8.230 nan 0.000 0.441 255 L N -0.045 121.175 121.223 -0.005 0.000 2.081 255 L HA -0.236 4.103 4.340 -0.001 0.000 0.212 255 L C 2.666 179.531 176.870 -0.009 0.000 1.080 255 L CA 1.700 56.587 54.840 0.079 0.000 0.754 255 L CB -0.859 41.284 42.059 0.140 0.000 0.893 255 L HN 0.259 nan 8.230 nan 0.000 0.433 256 A N -0.929 121.862 122.820 -0.048 0.000 1.917 256 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 256 A C 1.197 178.700 177.584 -0.136 0.000 1.182 256 A CA 1.189 53.178 52.037 -0.080 0.000 0.633 256 A CB -0.260 18.694 19.000 -0.076 0.000 0.819 256 A HN 0.437 nan 8.150 nan 0.000 0.448 257 Q N -1.315 118.395 119.800 -0.150 0.000 2.303 257 Q HA 0.482 4.821 4.340 -0.001 0.000 0.257 257 Q C -0.286 175.588 176.000 -0.209 0.000 0.941 257 Q CA -0.401 55.281 55.803 -0.203 0.000 0.931 257 Q CB 1.449 30.064 28.738 -0.204 0.000 1.215 257 Q HN 0.570 nan 8.270 nan 0.000 0.437 258 L N 3.494 124.520 121.223 -0.329 0.000 4.793 258 L HA -0.267 4.073 4.340 -0.001 0.000 0.404 258 L C -1.478 175.032 176.870 -0.599 0.000 1.022 258 L CA 1.160 55.767 54.840 -0.390 0.000 1.242 258 L CB -1.857 40.202 42.059 -0.000 0.000 2.049 258 L HN 0.743 nan 8.230 nan 0.000 0.637 259 Y N -3.728 116.298 120.300 -0.457 0.000 2.585 259 Y HA -0.068 4.482 4.550 -0.001 0.000 0.333 259 Y C -2.249 173.415 175.900 -0.393 0.000 1.553 259 Y CA -0.483 57.280 58.100 -0.562 0.000 1.534 259 Y CB -1.498 36.353 38.460 -1.015 0.000 2.010 259 Y HN 0.128 nan 8.280 nan 0.000 0.410 260 P HA 0.102 nan 4.420 nan 0.000 0.270 260 P C -0.047 177.239 177.300 -0.023 0.000 1.223 260 P CA 0.025 63.048 63.100 -0.128 0.000 0.785 260 P CB 0.704 32.249 31.700 -0.259 0.000 0.923 261 S N 1.327 116.995 115.700 -0.053 0.000 2.768 261 S HA 0.162 4.631 4.470 -0.001 0.000 0.246 261 S C 0.731 175.006 174.600 -0.542 0.000 1.006 261 S CA -0.338 57.823 58.200 -0.066 0.000 1.075 261 S CB -1.704 61.403 63.200 -0.155 0.000 0.786 261 S HN 0.631 nan 8.310 nan 0.000 0.468 262 F N -1.981 118.031 119.950 0.104 0.000 2.705 262 F HA -0.402 4.125 4.527 -0.001 0.000 0.413 262 F C 0.907 176.855 175.800 0.248 0.000 0.588 262 F CA 0.700 58.820 58.000 0.200 0.000 1.187 262 F CB -2.180 36.929 39.000 0.181 0.000 1.737 262 F HN 0.338 nan 8.300 nan 0.000 0.285 263 A N -0.007 122.508 122.820 -0.507 0.000 1.467 263 A HA -0.370 3.950 4.320 -0.001 0.000 0.224 263 A C 0.757 178.317 177.584 -0.040 0.000 0.387 263 A CA 2.181 54.119 52.037 -0.165 0.000 1.098 263 A CB -1.915 17.150 19.000 0.107 0.000 1.464 263 A HN 1.241 nan 8.150 nan 0.000 0.719 264 E N -1.352 118.916 120.200 0.114 0.000 3.284 264 E HA 0.481 4.830 4.350 -0.001 0.000 0.277 264 E C 0.650 177.404 176.600 0.255 0.000 1.218 264 E CA 0.184 56.679 56.400 0.159 0.000 0.925 264 E CB 0.509 30.262 29.700 0.088 0.000 1.409 264 E HN 0.721 nan 8.360 nan 0.000 0.388 265 G N 1.491 110.557 108.800 0.442 0.000 2.441 265 G HA2 0.252 4.212 3.960 -0.001 0.000 0.212 265 G HA3 0.252 4.212 3.960 -0.001 0.000 0.212 265 G C 0.728 175.765 174.900 0.229 0.000 1.164 265 G CA 0.254 45.541 45.100 0.312 0.000 0.811 265 G HN 0.754 nan 8.290 nan 0.000 0.535 266 A N -0.771 122.189 122.820 0.232 0.000 1.677 266 A HA 0.137 4.456 4.320 -0.001 0.000 0.219 266 A C 0.879 178.582 177.584 0.197 0.000 1.295 266 A CA 0.834 52.954 52.037 0.138 0.000 0.647 266 A CB -2.354 16.698 19.000 0.086 0.000 1.201 266 A HN 1.512 nan 8.150 nan 0.000 0.214 267 T N 2.013 116.630 114.554 0.106 0.000 3.626 267 T HA -0.093 4.256 4.350 -0.001 0.000 0.393 267 T C -0.590 174.306 174.700 0.326 0.000 0.765 267 T CA 1.629 63.858 62.100 0.216 0.000 2.006 267 T CB -1.498 67.562 68.868 0.321 0.000 1.739 267 T HN 1.553 nan 8.240 nan 0.000 0.720 268 P HA -0.275 nan 4.420 nan 0.000 0.284 268 P C 0.650 178.097 177.300 0.246 0.000 0.849 268 P CA 1.486 64.658 63.100 0.120 0.000 0.962 268 P CB -0.548 31.117 31.700 -0.059 0.000 0.935 269 F N -5.032 114.987 119.950 0.115 0.000 2.183 269 F HA -0.185 4.341 4.527 -0.001 0.000 0.318 269 F C 0.586 176.556 175.800 0.283 0.000 0.132 269 F CA 1.407 59.511 58.000 0.174 0.000 0.912 269 F CB -1.496 37.545 39.000 0.069 0.000 4.135 269 F HN 0.276 nan 8.300 nan 0.000 0.137 270 F N -1.443 118.596 119.950 0.148 0.000 2.579 270 F HA 0.717 5.244 4.527 -0.001 0.000 0.325 270 F C -0.364 175.437 175.800 0.001 0.000 1.162 270 F CA -0.622 57.382 58.000 0.006 0.000 0.946 270 F CB 1.979 40.938 39.000 -0.069 0.000 1.211 270 F HN 0.321 nan 8.300 nan 0.000 0.447 271 T N 4.678 119.226 114.554 -0.009 0.000 3.504 271 T HA 0.529 4.879 4.350 -0.001 0.000 0.286 271 T C -0.136 174.541 174.700 -0.040 0.000 1.530 271 T CA -0.365 61.711 62.100 -0.040 0.000 1.652 271 T CB 0.415 69.239 68.868 -0.074 0.000 0.895 271 T HN 0.769 nan 8.240 nan 0.000 0.674 272 L N 1.237 122.415 121.223 -0.075 0.000 2.334 272 L HA 0.885 5.224 4.340 -0.001 0.000 0.276 272 L C -0.118 176.561 176.870 -0.317 0.000 1.014 272 L CA -1.103 53.608 54.840 -0.215 0.000 0.815 272 L CB 1.129 42.967 42.059 -0.368 0.000 1.268 272 L HN 0.459 nan 8.230 nan 0.000 0.428 273 N N 1.809 120.323 118.700 -0.310 0.000 2.372 273 N HA 0.494 5.233 4.740 -0.001 0.000 0.285 273 N C -1.924 173.391 175.510 -0.324 0.000 1.008 273 N CA -0.305 52.581 53.050 -0.273 0.000 0.880 273 N CB 1.624 40.044 38.487 -0.111 0.000 1.239 273 N HN 0.682 nan 8.380 nan 0.000 0.484 274 W N 2.434 123.613 121.300 -0.203 0.000 2.361 274 W HA 0.331 4.991 4.660 -0.001 0.000 0.314 274 W C 0.932 177.377 176.519 -0.122 0.000 1.041 274 W CA -0.766 56.423 57.345 -0.261 0.000 1.241 274 W CB 0.868 30.155 29.460 -0.289 0.000 1.279 274 W HN 0.483 nan 8.180 nan 0.000 0.436 275 S N 2.145 117.908 115.700 0.104 0.000 2.414 275 S HA -0.006 4.464 4.470 -0.001 0.000 0.227 275 S C 0.646 175.292 174.600 0.076 0.000 1.022 275 S CA 0.944 59.191 58.200 0.079 0.000 0.958 275 S CB 0.151 63.381 63.200 0.049 0.000 0.797 275 S HN 0.297 nan 8.310 nan 0.000 0.493 276 K N 0.860 121.309 120.400 0.081 0.000 2.992 276 K HA 0.316 4.635 4.320 -0.001 0.000 0.178 276 K C -1.376 175.276 176.600 0.087 0.000 1.122 276 K CA -0.313 56.014 56.287 0.068 0.000 0.926 276 K CB 1.021 33.555 32.500 0.058 0.000 1.121 276 K HN 0.523 nan 8.250 nan 0.000 0.610 277 Y N -2.386 117.838 120.300 -0.127 0.000 2.656 277 Y HA 0.696 5.246 4.550 -0.001 0.000 0.334 277 Y C -1.892 173.195 175.900 -1.356 0.000 1.179 277 Y CA -1.300 56.497 58.100 -0.506 0.000 1.050 277 Y CB 1.548 39.820 38.460 -0.313 0.000 1.308 277 Y HN 0.093 nan 8.280 nan 0.000 0.456 278 A N 2.970 125.308 122.820 -0.802 0.000 3.127 278 A HA 0.512 4.831 4.320 -0.001 0.000 0.319 278 A C -1.210 175.977 177.584 -0.661 0.000 1.104 278 A CA -0.493 50.784 52.037 -1.267 0.000 0.802 278 A CB -0.236 18.102 19.000 -1.103 0.000 1.193 278 A HN 0.850 nan 8.150 nan 0.000 0.479 279 D N -0.062 119.977 120.400 -0.601 0.000 5.025 279 D HA -0.221 4.419 4.640 -0.001 0.000 0.138 279 D C 0.852 176.860 176.300 -0.487 0.000 1.367 279 D CA 1.173 54.852 54.000 -0.535 0.000 1.098 279 D CB -0.173 40.605 40.800 -0.038 0.000 0.789 279 D HN 0.455 nan 8.370 nan 0.000 0.401 280 F N 1.766 121.385 119.950 -0.551 0.000 2.024 280 F HA -0.333 4.194 4.527 -0.001 0.000 0.296 280 F C 2.389 178.166 175.800 -0.039 0.000 1.137 280 F CA 1.797 59.593 58.000 -0.340 0.000 1.200 280 F CB -0.631 38.357 39.000 -0.020 0.000 0.954 280 F HN 0.639 nan 8.300 nan 0.000 0.497 281 L N -1.200 120.166 121.223 0.238 0.000 5.176 281 L HA -0.437 3.903 4.340 -0.001 0.000 0.053 281 L C 0.904 177.904 176.870 0.217 0.000 2.911 281 L CA 2.126 57.081 54.840 0.192 0.000 1.597 281 L CB -2.713 39.372 42.059 0.042 0.000 2.854 281 L HN 0.687 nan 8.230 nan 0.000 0.903 282 T N -4.244 110.434 114.554 0.206 0.000 3.795 282 T HA -0.273 4.076 4.350 -0.001 0.000 0.370 282 T C 0.003 174.833 174.700 0.218 0.000 0.761 282 T CA 0.749 62.942 62.100 0.156 0.000 1.923 282 T CB -2.769 66.147 68.868 0.079 0.000 1.795 282 T HN 2.033 nan 8.240 nan 0.000 0.762 283 F N -0.219 119.782 119.950 0.085 0.000 1.709 283 F HA -0.156 4.370 4.527 -0.001 0.000 0.326 283 F C 1.186 176.946 175.800 -0.066 0.000 0.524 283 F CA 1.062 59.069 58.000 0.012 0.000 0.747 283 F CB 0.355 39.345 39.000 -0.017 0.000 0.770 283 F HN 0.378 nan 8.300 nan 0.000 0.590 284 R N 3.655 124.189 120.500 0.056 0.000 2.223 284 R HA 0.251 4.591 4.340 -0.001 0.000 0.198 284 R C 1.768 178.134 176.300 0.110 0.000 0.984 284 R CA 0.977 57.068 56.100 -0.015 0.000 1.018 284 R CB -0.734 29.408 30.300 -0.263 0.000 0.945 284 R HN 1.046 nan 8.270 nan 0.000 0.479 285 G N -0.461 108.474 108.800 0.225 0.000 2.634 285 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.318 285 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.318 285 G C 0.638 175.642 174.900 0.173 0.000 1.207 285 G CA 0.252 45.458 45.100 0.178 0.000 0.987 285 G HN 0.641 nan 8.290 nan 0.000 0.547 286 G N -0.449 108.479 108.800 0.213 0.000 2.712 286 G HA2 0.480 4.439 3.960 -0.001 0.000 0.258 286 G HA3 0.480 4.439 3.960 -0.001 0.000 0.258 286 G C 0.352 175.496 174.900 0.407 0.000 1.241 286 G CA -0.087 45.162 45.100 0.247 0.000 0.923 286 G HN 0.942 nan 8.290 nan 0.000 0.548 287 L N 0.251 121.564 121.223 0.151 0.000 2.395 287 L HA 0.189 4.528 4.340 -0.001 0.000 0.269 287 L C 0.016 176.663 176.870 -0.371 0.000 1.133 287 L CA -0.834 53.936 54.840 -0.117 0.000 0.812 287 L CB 0.660 42.656 42.059 -0.106 0.000 1.125 287 L HN 0.363 nan 8.230 nan 0.000 0.452 288 D N 3.322 123.179 120.400 -0.906 0.000 2.443 288 D HA 0.130 4.769 4.640 -0.001 0.000 0.239 288 D C -2.230 173.795 176.300 -0.459 0.000 1.136 288 D CA -0.601 52.734 54.000 -1.108 0.000 0.879 288 D CB 0.524 40.779 40.800 -0.907 0.000 1.195 288 D HN 0.254 nan 8.370 nan 0.000 0.443 289 P HA 0.237 nan 4.420 nan 0.000 0.304 289 P C 0.215 177.456 177.300 -0.099 0.000 1.366 289 P CA -0.603 62.427 63.100 -0.116 0.000 0.859 289 P CB 1.969 33.662 31.700 -0.012 0.000 0.961 290 L N 2.207 123.380 121.223 -0.083 0.000 3.294 290 L HA -0.126 4.214 4.340 -0.001 0.000 0.437 290 L C -0.735 176.087 176.870 -0.079 0.000 0.749 290 L CA 1.947 56.755 54.840 -0.054 0.000 2.510 290 L CB -2.052 39.986 42.059 -0.034 0.000 1.159 290 L HN 0.422 nan 8.230 nan 0.000 0.602 291 T N 0.533 114.979 114.554 -0.181 0.000 3.428 291 T HA 0.555 4.905 4.350 -0.001 0.000 0.301 291 T C 0.658 175.162 174.700 -0.328 0.000 1.323 291 T CA -0.046 61.880 62.100 -0.290 0.000 1.647 291 T CB 0.600 69.230 68.868 -0.398 0.000 0.871 291 T HN 0.445 nan 8.240 nan 0.000 0.627 292 G N 0.386 109.053 108.800 -0.222 0.000 3.197 292 G HA2 0.383 4.342 3.960 -0.001 0.000 0.257 292 G HA3 0.383 4.342 3.960 -0.001 0.000 0.257 292 G C 1.138 175.914 174.900 -0.207 0.000 0.835 292 G CA -0.130 44.834 45.100 -0.227 0.000 2.001 292 G HN 0.647 nan 8.290 nan 0.000 0.625 293 G N 0.264 108.908 108.800 -0.261 0.000 2.430 293 G HA2 0.266 4.226 3.960 -0.001 0.000 0.216 293 G HA3 0.266 4.226 3.960 -0.001 0.000 0.216 293 G C 0.466 175.264 174.900 -0.170 0.000 1.146 293 G CA 0.776 45.768 45.100 -0.180 0.000 0.793 293 G HN 1.200 nan 8.290 nan 0.000 0.537 294 L N -2.766 118.292 121.223 -0.275 0.000 0.587 294 L HA -0.060 4.279 4.340 -0.001 0.000 0.356 294 L C -1.455 175.291 176.870 -0.206 0.000 1.005 294 L CA -1.243 53.469 54.840 -0.213 0.000 1.223 294 L CB -0.657 41.357 42.059 -0.075 0.000 0.041 294 L HN 0.270 nan 8.230 nan 0.000 0.094 295 W N 5.912 127.194 121.300 -0.030 0.000 2.308 295 W HA 0.425 5.084 4.660 -0.001 0.000 0.324 295 W C 1.366 177.880 176.519 -0.008 0.000 1.387 295 W CA -0.133 57.208 57.345 -0.008 0.000 1.250 295 W CB -0.270 29.198 29.460 0.014 0.000 1.257 295 W HN 0.559 nan 8.180 nan 0.000 0.554 296 L N 1.197 122.534 121.223 0.190 0.000 2.721 296 L HA -0.005 4.334 4.340 -0.001 0.000 0.241 296 L C 1.269 178.231 176.870 0.153 0.000 1.168 296 L CA 1.760 56.674 54.840 0.125 0.000 0.866 296 L CB -1.926 40.194 42.059 0.103 0.000 0.996 296 L HN 0.630 nan 8.230 nan 0.000 0.451 297 T N -3.354 111.329 114.554 0.215 0.000 3.004 297 T HA 0.118 4.468 4.350 -0.001 0.000 0.266 297 T C 0.887 175.683 174.700 0.160 0.000 0.986 297 T CA 0.438 62.660 62.100 0.202 0.000 0.902 297 T CB -0.083 68.937 68.868 0.253 0.000 1.118 297 T HN 0.367 nan 8.240 nan 0.000 0.522 298 D N 0.988 121.457 120.400 0.114 0.000 2.354 298 D HA 0.184 4.823 4.640 -0.001 0.000 0.209 298 D C 1.608 177.933 176.300 0.042 0.000 1.015 298 D CA -0.089 53.923 54.000 0.019 0.000 0.867 298 D CB -0.145 40.570 40.800 -0.142 0.000 0.933 298 D HN 0.338 nan 8.370 nan 0.000 0.520 299 I N 1.277 121.867 120.570 0.034 0.000 2.493 299 I HA -0.101 4.069 4.170 -0.001 0.000 0.254 299 I C 2.019 178.038 176.117 -0.163 0.000 1.160 299 I CA 0.378 61.644 61.300 -0.057 0.000 1.445 299 I CB -0.446 37.522 38.000 -0.053 0.000 1.086 299 I HN 0.009 nan 8.210 nan 0.000 0.433 300 A N -0.696 122.096 122.820 -0.047 0.000 1.854 300 A HA -0.239 4.081 4.320 -0.001 0.000 0.214 300 A C 2.387 180.025 177.584 0.090 0.000 1.192 300 A CA 1.612 53.623 52.037 -0.043 0.000 0.611 300 A CB -1.063 17.894 19.000 -0.071 0.000 0.832 300 A HN 0.528 nan 8.150 nan 0.000 0.442 301 H N -0.246 118.835 119.070 0.017 0.000 2.319 301 H HA -0.221 4.335 4.556 -0.001 0.000 0.297 301 H C 2.010 177.389 175.328 0.084 0.000 1.097 301 H CA 2.142 58.217 56.048 0.044 0.000 1.285 301 H CB -0.666 29.119 29.762 0.039 0.000 1.368 301 H HN 0.759 nan 8.280 nan 0.000 0.495 302 H N -0.583 118.569 119.070 0.137 0.000 2.387 302 H HA -0.101 4.455 4.556 -0.001 0.000 0.299 302 H C 1.783 177.264 175.328 0.254 0.000 1.090 302 H CA 1.513 57.623 56.048 0.103 0.000 1.332 302 H CB -0.078 29.729 29.762 0.075 0.000 1.386 302 H HN 0.594 nan 8.280 nan 0.000 0.516 303 H N -0.648 118.354 119.070 -0.113 0.000 2.436 303 H HA -0.079 4.476 4.556 -0.001 0.000 0.294 303 H C 2.384 177.687 175.328 -0.041 0.000 1.048 303 H CA 0.474 56.448 56.048 -0.123 0.000 1.353 303 H CB 0.528 30.357 29.762 0.112 0.000 1.414 303 H HN 0.230 nan 8.280 nan 0.000 0.536 304 L N 1.358 122.673 121.223 0.153 0.000 1.976 304 L HA -0.087 4.252 4.340 -0.001 0.000 0.209 304 L C 2.506 179.419 176.870 0.072 0.000 1.071 304 L CA 1.860 56.757 54.840 0.095 0.000 0.746 304 L CB -0.829 41.274 42.059 0.072 0.000 0.890 304 L HN 0.132 nan 8.230 nan 0.000 0.432 305 A N -0.596 122.296 122.820 0.121 0.000 2.234 305 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 305 A C 1.854 179.413 177.584 -0.041 0.000 1.167 305 A CA 1.430 53.514 52.037 0.078 0.000 0.698 305 A CB -0.851 18.230 19.000 0.135 0.000 0.779 305 A HN 0.479 nan 8.150 nan 0.000 0.475 306 I N -0.966 119.537 120.570 -0.112 0.000 3.691 306 I HA 0.035 4.205 4.170 -0.001 0.000 0.226 306 I C 2.818 178.832 176.117 -0.172 0.000 1.020 306 I CA 0.947 62.111 61.300 -0.227 0.000 1.479 306 I CB -1.821 36.003 38.000 -0.294 0.000 1.350 306 I HN 0.314 nan 8.210 nan 0.000 0.438 307 A N 1.675 124.470 122.820 -0.041 0.000 1.792 307 A HA -0.350 3.969 4.320 -0.001 0.000 0.277 307 A C 2.289 179.914 177.584 0.068 0.000 2.778 307 A CA 3.239 55.336 52.037 0.099 0.000 0.839 307 A CB -1.712 17.354 19.000 0.109 0.000 0.828 307 A HN 0.558 nan 8.150 nan 0.000 0.533 308 I N -0.979 119.609 120.570 0.031 0.000 2.203 308 I HA -0.272 3.897 4.170 -0.001 0.000 0.237 308 I C 1.566 177.699 176.117 0.027 0.000 0.993 308 I CA 1.709 63.027 61.300 0.031 0.000 1.277 308 I CB -0.449 37.562 38.000 0.017 0.000 0.984 308 I HN 0.573 nan 8.210 nan 0.000 0.402 309 L N 0.762 121.957 121.223 -0.046 0.000 2.360 309 L HA 0.019 4.359 4.340 -0.001 0.000 0.276 309 L C 0.101 176.899 176.870 -0.119 0.000 1.121 309 L CA -0.174 54.607 54.840 -0.098 0.000 0.845 309 L CB 0.737 42.677 42.059 -0.198 0.000 1.143 309 L HN 0.321 nan 8.230 nan 0.000 0.452 310 F N 1.893 121.840 119.950 -0.006 0.000 2.485 310 F HA -0.345 4.181 4.527 -0.001 0.000 0.724 310 F C 1.255 177.014 175.800 -0.068 0.000 0.487 310 F CA 1.294 59.280 58.000 -0.024 0.000 0.939 310 F CB -1.709 37.284 39.000 -0.012 0.000 1.755 310 F HN 0.404 nan 8.300 nan 0.000 0.272 311 L N 0.374 121.690 121.223 0.155 0.000 1.976 311 L HA -0.040 4.300 4.340 -0.001 0.000 0.209 311 L C 1.212 178.081 176.870 -0.003 0.000 1.071 311 L CA 1.619 56.481 54.840 0.036 0.000 0.746 311 L CB -0.134 41.967 42.059 0.070 0.000 0.890 311 L HN 0.178 nan 8.230 nan 0.000 0.432 312 I N -0.574 120.049 120.570 0.088 0.000 2.325 312 I HA 0.291 4.460 4.170 -0.001 0.000 0.291 312 I C 0.479 176.663 176.117 0.111 0.000 1.019 312 I CA 0.489 61.876 61.300 0.146 0.000 1.302 312 I CB 1.124 39.210 38.000 0.144 0.000 1.401 312 I HN 0.345 nan 8.210 nan 0.000 0.485 313 A N 5.219 128.112 122.820 0.122 0.000 3.564 313 A HA -0.073 4.246 4.320 -0.001 0.000 0.196 313 A C 1.493 179.146 177.584 0.115 0.000 1.294 313 A CA 0.273 52.390 52.037 0.135 0.000 1.188 313 A CB -1.682 17.423 19.000 0.174 0.000 0.809 313 A HN 0.709 nan 8.150 nan 0.000 0.393 314 G N -1.037 107.787 108.800 0.040 0.000 3.094 314 G HA2 0.240 4.200 3.960 -0.001 0.000 0.208 314 G HA3 0.240 4.200 3.960 -0.001 0.000 0.208 314 G C 0.608 175.484 174.900 -0.039 0.000 1.189 314 G CA 1.285 46.377 45.100 -0.014 0.000 0.856 314 G HN 0.788 nan 8.290 nan 0.000 0.510 315 H N -0.890 118.232 119.070 0.085 0.000 2.586 315 H HA 0.323 4.878 4.556 -0.001 0.000 0.273 315 H C 0.889 176.290 175.328 0.121 0.000 0.997 315 H CA -0.595 55.493 56.048 0.067 0.000 1.177 315 H CB 0.374 30.167 29.762 0.051 0.000 1.471 315 H HN 0.259 nan 8.280 nan 0.000 0.538 316 M N 0.912 120.703 119.600 0.318 0.000 2.227 316 M HA -0.010 4.469 4.480 -0.001 0.000 0.349 316 M C -0.358 176.145 176.300 0.338 0.000 1.443 316 M CA 0.997 56.609 55.300 0.520 0.000 1.110 316 M CB 0.446 33.325 32.600 0.466 0.000 1.773 316 M HN 0.404 nan 8.290 nan 0.000 0.463 317 Y N -0.302 120.024 120.300 0.042 0.000 2.639 317 Y HA -0.074 4.476 4.550 -0.001 0.000 0.443 317 Y C 0.508 176.414 175.900 0.010 0.000 1.425 317 Y CA 0.953 59.068 58.100 0.025 0.000 1.877 317 Y CB -0.181 38.293 38.460 0.023 0.000 1.173 317 Y HN 0.581 nan 8.280 nan 0.000 0.516 328 K N 2.218 122.625 120.400 0.012 0.000 2.059 328 K HA -0.244 4.076 4.320 -0.001 0.000 0.212 328 K C 1.220 177.829 176.600 0.016 0.000 1.050 328 K CA 2.958 59.250 56.287 0.009 0.000 0.927 328 K CB -0.427 32.079 32.500 0.011 0.000 0.714 328 K HN 0.505 nan 8.250 nan 0.000 0.447 329 D N 0.163 120.581 120.400 0.030 0.000 2.632 329 D HA -0.308 4.331 4.640 -0.001 0.000 0.588 329 D C 1.697 178.020 176.300 0.039 0.000 0.941 329 D CA 2.829 56.856 54.000 0.045 0.000 1.653 329 D CB -0.965 39.885 40.800 0.083 0.000 0.356 329 D HN 0.418 nan 8.370 nan 0.000 0.482 330 I N 0.351 120.941 120.570 0.033 0.000 2.226 330 I HA -0.182 3.988 4.170 -0.001 0.000 0.245 330 I C 2.733 178.902 176.117 0.086 0.000 1.100 330 I CA 0.618 61.941 61.300 0.038 0.000 1.374 330 I CB -0.181 37.814 38.000 -0.009 0.000 1.057 330 I HN 0.105 nan 8.210 nan 0.000 0.413 331 L N 0.572 121.793 121.223 -0.003 0.000 2.017 331 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 331 L C 1.442 178.250 176.870 -0.103 0.000 1.073 331 L CA 1.267 56.049 54.840 -0.097 0.000 0.745 331 L CB -0.076 41.946 42.059 -0.060 0.000 0.894 331 L HN 0.260 nan 8.230 nan 0.000 0.432 332 E N -0.220 119.967 120.200 -0.022 0.000 2.070 332 E HA 0.346 4.696 4.350 -0.001 0.000 0.282 332 E C -0.234 176.384 176.600 0.030 0.000 1.104 332 E CA 0.552 56.949 56.400 -0.006 0.000 0.876 332 E CB 0.805 30.512 29.700 0.012 0.000 1.055 332 E HN 0.472 nan 8.360 nan 0.000 0.401 333 A N 4.295 127.151 122.820 0.060 0.000 2.643 333 A HA 0.022 4.342 4.320 -0.001 0.000 0.134 333 A C -1.011 176.673 177.584 0.165 0.000 1.483 333 A CA -0.415 51.699 52.037 0.128 0.000 2.373 333 A CB -0.151 18.948 19.000 0.165 0.000 2.418 333 A HN 0.748 nan 8.150 nan 0.000 1.040 334 H N 1.678 120.674 119.070 -0.124 0.000 2.929 334 H HA 0.659 5.215 4.556 -0.001 0.000 0.317 334 H C -0.187 175.097 175.328 -0.072 0.000 1.031 334 H CA 0.811 56.799 56.048 -0.101 0.000 1.466 334 H CB 0.243 29.942 29.762 -0.104 0.000 1.482 334 H HN 0.713 nan 8.280 nan 0.000 0.561 335 K N 1.842 122.285 120.400 0.072 0.000 2.444 335 K HA 0.687 5.007 4.320 -0.001 0.000 0.252 335 K C -0.719 175.886 176.600 0.008 0.000 0.993 335 K CA -0.869 55.447 56.287 0.048 0.000 0.847 335 K CB 2.434 34.955 32.500 0.034 0.000 1.340 335 K HN 0.841 nan 8.250 nan 0.000 0.446 336 G N 1.024 109.802 108.800 -0.037 0.000 2.694 336 G HA2 0.421 4.381 3.960 -0.001 0.000 0.290 336 G HA3 0.421 4.381 3.960 -0.001 0.000 0.290 336 G C -2.489 172.327 174.900 -0.139 0.000 1.386 336 G CA -1.255 43.763 45.100 -0.138 0.000 0.872 336 G HN 0.368 nan 8.290 nan 0.000 0.475 337 P HA -0.012 nan 4.420 nan 0.000 0.214 337 P C 1.653 178.975 177.300 0.037 0.000 1.162 337 P CA 1.142 64.190 63.100 -0.087 0.000 0.879 337 P CB -0.010 31.660 31.700 -0.050 0.000 0.786 338 F N -0.021 119.915 119.950 -0.023 0.000 2.134 338 F HA -0.067 4.460 4.527 -0.001 0.000 0.299 338 F C 1.677 177.448 175.800 -0.048 0.000 1.097 338 F CA 0.315 58.289 58.000 -0.044 0.000 1.264 338 F CB -3.007 35.966 39.000 -0.044 0.000 1.001 338 F HN -0.097 nan 8.300 nan 0.000 0.479 339 T N -0.765 113.774 114.554 -0.025 0.000 2.795 339 T HA 0.470 4.819 4.350 -0.001 0.000 0.314 339 T C 0.538 175.223 174.700 -0.025 0.000 1.069 339 T CA -0.138 61.932 62.100 -0.049 0.000 1.071 339 T CB 0.984 69.794 68.868 -0.095 0.000 0.988 339 T HN 0.358 nan 8.240 nan 0.000 0.543 340 G N 0.290 109.059 108.800 -0.051 0.000 2.370 340 G HA2 0.404 4.363 3.960 -0.001 0.000 0.317 340 G HA3 0.404 4.363 3.960 -0.001 0.000 0.317 340 G C 0.421 175.342 174.900 0.035 0.000 1.162 340 G CA -0.623 44.452 45.100 -0.041 0.000 0.922 340 G HN 0.886 nan 8.290 nan 0.000 0.454 341 Q N 2.539 122.358 119.800 0.032 0.000 2.152 341 Q HA -0.090 4.250 4.340 -0.001 0.000 0.206 341 Q C 2.387 178.421 176.000 0.056 0.000 0.985 341 Q CA 2.681 58.511 55.803 0.044 0.000 0.863 341 Q CB -0.397 28.363 28.738 0.036 0.000 0.904 341 Q HN 0.627 nan 8.270 nan 0.000 0.422 342 G N -0.944 107.878 108.800 0.036 0.000 2.450 342 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.220 342 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.220 342 G C 1.074 176.000 174.900 0.043 0.000 1.130 342 G CA 1.013 46.128 45.100 0.024 0.000 0.760 342 G HN 0.635 nan 8.290 nan 0.000 0.557 343 H N 0.494 119.519 119.070 -0.074 0.000 2.321 343 H HA -0.021 4.535 4.556 -0.001 0.000 0.295 343 H C 0.701 175.979 175.328 -0.084 0.000 1.102 343 H CA 0.788 56.769 56.048 -0.112 0.000 1.266 343 H CB 0.060 29.739 29.762 -0.139 0.000 1.363 343 H HN 0.217 nan 8.280 nan 0.000 0.492 344 K N 0.062 120.519 120.400 0.095 0.000 2.412 344 K HA 0.065 4.385 4.320 -0.001 0.000 0.284 344 K C 0.776 177.408 176.600 0.054 0.000 1.046 344 K CA 0.583 56.894 56.287 0.040 0.000 0.999 344 K CB 0.709 33.230 32.500 0.035 0.000 0.941 344 K HN 0.561 nan 8.250 nan 0.000 0.474 345 G N 3.140 111.971 108.800 0.052 0.000 2.203 345 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.263 345 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.263 345 G C 0.264 175.235 174.900 0.118 0.000 1.012 345 G CA -0.093 45.054 45.100 0.078 0.000 0.749 345 G HN 0.698 nan 8.290 nan 0.000 0.512 346 L N 0.097 121.355 121.223 0.059 0.000 6.113 346 L HA 0.143 4.482 4.340 -0.001 0.000 0.274 346 L C 0.343 177.290 176.870 0.129 0.000 1.679 346 L CA 0.623 55.448 54.840 -0.024 0.000 0.849 346 L CB -0.975 41.059 42.059 -0.042 0.000 1.422 346 L HN 0.516 nan 8.230 nan 0.000 0.367 347 Y N 0.007 120.291 120.300 -0.027 0.000 2.868 347 Y HA -0.240 4.309 4.550 -0.001 0.000 0.030 347 Y C 1.117 176.988 175.900 -0.049 0.000 2.236 347 Y CA -0.145 57.931 58.100 -0.041 0.000 1.171 347 Y CB -0.562 37.863 38.460 -0.058 0.000 1.871 347 Y HN 0.479 nan 8.280 nan 0.000 0.284 348 E N 2.042 122.265 120.200 0.039 0.000 2.058 348 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 348 E C 1.741 178.268 176.600 -0.122 0.000 0.997 348 E CA 1.705 58.076 56.400 -0.048 0.000 0.801 348 E CB 0.053 29.715 29.700 -0.064 0.000 0.746 348 E HN 0.595 nan 8.360 nan 0.000 0.450 349 I N 1.312 121.717 120.570 -0.275 0.000 2.194 349 I HA -0.292 3.878 4.170 -0.001 0.000 0.246 349 I C 2.202 178.176 176.117 -0.238 0.000 1.093 349 I CA 1.130 62.191 61.300 -0.398 0.000 1.355 349 I CB -0.282 37.203 38.000 -0.858 0.000 1.046 349 I HN 0.179 nan 8.210 nan 0.000 0.413 350 L N -0.245 120.919 121.223 -0.097 0.000 2.043 350 L HA -0.338 4.002 4.340 -0.001 0.000 0.212 350 L C 2.636 179.435 176.870 -0.118 0.000 1.075 350 L CA 2.360 57.199 54.840 -0.002 0.000 0.752 350 L CB -0.680 41.420 42.059 0.068 0.000 0.891 350 L HN 0.478 nan 8.230 nan 0.000 0.432 351 T N -2.041 112.418 114.554 -0.159 0.000 2.699 351 T HA -0.193 4.156 4.350 -0.001 0.000 0.268 351 T C 1.075 175.575 174.700 -0.333 0.000 1.036 351 T CA 1.889 63.842 62.100 -0.245 0.000 1.147 351 T CB -0.443 68.277 68.868 -0.247 0.000 0.862 351 T HN 0.538 nan 8.240 nan 0.000 0.446 352 T N -0.218 114.173 114.554 -0.272 0.000 3.514 352 T HA 0.545 4.894 4.350 -0.001 0.000 0.259 352 T C 1.143 175.770 174.700 -0.122 0.000 1.466 352 T CA 0.013 61.973 62.100 -0.233 0.000 1.562 352 T CB 0.566 69.314 68.868 -0.200 0.000 0.924 352 T HN 0.355 nan 8.240 nan 0.000 0.678 353 S N 0.248 115.900 115.700 -0.081 0.000 2.348 353 S HA 0.052 4.522 4.470 -0.001 0.000 0.219 353 S C 1.244 176.032 174.600 0.313 0.000 1.033 353 S CA 0.646 58.896 58.200 0.083 0.000 0.974 353 S CB -0.936 62.402 63.200 0.231 0.000 0.868 353 S HN 0.857 nan 8.310 nan 0.000 0.459 354 W N 0.544 121.929 121.300 0.143 0.000 0.412 354 W HA -0.334 4.325 4.660 -0.001 0.000 0.214 354 W C 2.017 178.674 176.519 0.230 0.000 0.922 354 W CA 1.592 59.043 57.345 0.176 0.000 0.436 354 W CB -1.509 28.075 29.460 0.206 0.000 1.892 354 W HN 0.391 nan 8.180 nan 0.000 0.701 355 H N -0.257 119.062 119.070 0.415 0.000 2.387 355 H HA -0.084 4.471 4.556 -0.001 0.000 0.299 355 H C 2.036 177.539 175.328 0.293 0.000 1.099 355 H CA 1.319 57.554 56.048 0.311 0.000 1.315 355 H CB -0.255 29.687 29.762 0.299 0.000 1.380 355 H HN 0.337 nan 8.280 nan 0.000 0.513 356 A N 0.409 123.509 122.820 0.466 0.000 1.930 356 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 356 A C 2.137 179.799 177.584 0.130 0.000 1.175 356 A CA 0.981 53.179 52.037 0.268 0.000 0.627 356 A CB -0.076 19.063 19.000 0.232 0.000 0.815 356 A HN 0.240 nan 8.150 nan 0.000 0.443 357 Q N -0.331 119.554 119.800 0.141 0.000 2.322 357 Q HA 0.104 4.443 4.340 -0.001 0.000 0.203 357 Q C 1.331 177.378 176.000 0.078 0.000 0.923 357 Q CA 0.502 56.340 55.803 0.058 0.000 0.949 357 Q CB 0.211 28.938 28.738 -0.019 0.000 1.039 357 Q HN 0.741 nan 8.270 nan 0.000 0.496 358 L N -3.343 117.935 121.223 0.092 0.000 2.445 358 L HA 0.341 4.680 4.340 -0.001 0.000 0.207 358 L C 2.062 178.918 176.870 -0.024 0.000 1.053 358 L CA 1.317 56.163 54.840 0.011 0.000 0.841 358 L CB -1.118 40.880 42.059 -0.102 0.000 1.074 358 L HN -0.084 nan 8.230 nan 0.000 0.479 359 S N 0.382 116.094 115.700 0.019 0.000 2.348 359 S HA -0.071 4.398 4.470 -0.001 0.000 0.221 359 S C 1.096 175.705 174.600 0.015 0.000 1.033 359 S CA 0.853 59.080 58.200 0.046 0.000 1.010 359 S CB -0.632 62.626 63.200 0.096 0.000 0.891 359 S HN 0.360 nan 8.310 nan 0.000 0.442 360 I N 2.264 122.835 120.570 0.002 0.000 2.618 360 I HA 0.265 4.434 4.170 -0.001 0.000 0.284 360 I C 0.616 176.728 176.117 -0.009 0.000 1.146 360 I CA 0.470 61.761 61.300 -0.015 0.000 1.425 360 I CB 0.589 38.569 38.000 -0.033 0.000 1.383 360 I HN 0.590 nan 8.210 nan 0.000 0.562 361 N N 4.411 123.104 118.700 -0.012 0.000 2.366 361 N HA -0.214 4.525 4.740 -0.001 0.000 0.211 361 N C 0.773 176.275 175.510 -0.013 0.000 1.657 361 N CA 1.294 54.336 53.050 -0.012 0.000 3.447 361 N CB -1.147 37.335 38.487 -0.009 0.000 1.432 361 N HN 0.451 nan 8.380 nan 0.000 1.068 362 L N 2.463 123.678 121.223 -0.014 0.000 2.013 362 L HA 0.000 4.340 4.340 -0.001 0.000 0.212 362 L C 2.769 179.637 176.870 -0.004 0.000 1.073 362 L CA 2.894 57.728 54.840 -0.010 0.000 0.753 362 L CB -0.899 41.156 42.059 -0.006 0.000 0.890 362 L HN 0.551 nan 8.230 nan 0.000 0.432 363 A N -1.381 121.437 122.820 -0.003 0.000 1.917 363 A HA -0.252 4.067 4.320 -0.001 0.000 0.219 363 A C 2.218 179.798 177.584 -0.007 0.000 1.182 363 A CA 2.220 54.254 52.037 -0.005 0.000 0.633 363 A CB -0.388 18.608 19.000 -0.006 0.000 0.819 363 A HN 0.348 nan 8.150 nan 0.000 0.448 364 M N -1.709 117.886 119.600 -0.008 0.000 2.240 364 M HA 0.092 4.572 4.480 -0.001 0.000 0.257 364 M C 2.115 178.410 176.300 -0.008 0.000 1.107 364 M CA 0.784 56.081 55.300 -0.006 0.000 1.169 364 M CB -1.663 30.934 32.600 -0.005 0.000 1.307 364 M HN 0.389 nan 8.290 nan 0.000 0.447 365 L N 1.082 122.300 121.223 -0.010 0.000 1.976 365 L HA -0.170 4.169 4.340 -0.001 0.000 0.223 365 L C 2.243 179.107 176.870 -0.010 0.000 1.081 365 L CA 2.658 57.490 54.840 -0.012 0.000 0.784 365 L CB -1.661 40.388 42.059 -0.016 0.000 0.896 365 L HN 0.402 nan 8.230 nan 0.000 0.438 366 G N -1.915 106.881 108.800 -0.006 0.000 2.586 366 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.218 366 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.218 366 G C 1.682 176.577 174.900 -0.008 0.000 1.216 366 G CA 1.229 46.330 45.100 0.000 0.000 0.786 366 G HN 0.521 nan 8.290 nan 0.000 0.583 367 S N -0.483 115.210 115.700 -0.012 0.000 2.507 367 S HA 0.121 4.590 4.470 -0.001 0.000 0.235 367 S C 1.970 176.556 174.600 -0.023 0.000 0.988 367 S CA 0.541 58.730 58.200 -0.018 0.000 0.944 367 S CB -0.158 63.033 63.200 -0.014 0.000 0.762 367 S HN 0.289 nan 8.310 nan 0.000 0.526 368 L N 0.874 122.084 121.223 -0.021 0.000 2.607 368 L HA 0.163 4.502 4.340 -0.001 0.000 0.228 368 L C 2.224 179.067 176.870 -0.044 0.000 1.123 368 L CA 0.782 55.604 54.840 -0.030 0.000 0.890 368 L CB 0.004 42.054 42.059 -0.016 0.000 1.103 368 L HN 0.471 nan 8.230 nan 0.000 0.468 369 T N -2.072 112.461 114.554 -0.035 0.000 2.953 369 T HA -0.057 4.293 4.350 -0.001 0.000 0.247 369 T C 1.665 176.339 174.700 -0.043 0.000 1.029 369 T CA 0.814 62.892 62.100 -0.037 0.000 1.144 369 T CB -0.297 68.578 68.868 0.010 0.000 0.870 369 T HN 0.262 nan 8.240 nan 0.000 0.446 370 I N 2.074 122.621 120.570 -0.038 0.000 3.334 370 I HA 0.178 4.347 4.170 -0.001 0.000 0.282 370 I C 2.036 178.125 176.117 -0.048 0.000 1.313 370 I CA 0.313 61.586 61.300 -0.045 0.000 1.396 370 I CB -0.973 36.982 38.000 -0.076 0.000 1.054 370 I HN 0.256 nan 8.210 nan 0.000 0.495 371 V N -2.492 117.370 119.914 -0.087 0.000 2.871 371 V HA -0.030 4.090 4.120 -0.001 0.000 0.256 371 V C 2.257 178.181 176.094 -0.283 0.000 1.082 371 V CA 1.160 63.353 62.300 -0.179 0.000 1.105 371 V CB -1.086 30.615 31.823 -0.203 0.000 0.713 371 V HN 0.357 nan 8.190 nan 0.000 0.473 372 V N 1.784 121.598 119.914 -0.167 0.000 2.219 372 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 372 V C 3.139 179.239 176.094 0.010 0.000 1.053 372 V CA 2.590 64.819 62.300 -0.120 0.000 1.009 372 V CB -1.650 30.075 31.823 -0.163 0.000 0.636 372 V HN 0.619 nan 8.190 nan 0.000 0.445 373 A N -1.209 121.657 122.820 0.076 0.000 2.159 373 A HA -0.351 3.969 4.320 -0.001 0.000 0.222 373 A C 2.087 179.856 177.584 0.308 0.000 1.163 373 A CA 2.536 54.740 52.037 0.279 0.000 0.664 373 A CB -0.471 18.637 19.000 0.180 0.000 0.803 373 A HN 0.674 nan 8.150 nan 0.000 0.470 374 Q N -1.901 118.041 119.800 0.237 0.000 2.141 374 Q HA 0.045 4.384 4.340 -0.001 0.000 0.194 374 Q C 1.845 178.183 176.000 0.564 0.000 0.975 374 Q CA 1.137 57.197 55.803 0.428 0.000 0.834 374 Q CB -0.249 28.786 28.738 0.495 0.000 0.916 374 Q HN 0.726 nan 8.270 nan 0.000 0.484 375 H N -0.348 118.828 119.070 0.175 0.000 2.520 375 H HA -0.152 4.403 4.556 -0.001 0.000 0.295 375 H C 1.528 176.880 175.328 0.041 0.000 1.096 375 H CA 1.402 57.493 56.048 0.073 0.000 1.249 375 H CB -0.182 29.603 29.762 0.039 0.000 1.365 375 H HN 0.189 nan 8.280 nan 0.000 0.556 376 M N 0.063 119.806 119.600 0.239 0.000 2.073 376 M HA -0.082 4.397 4.480 -0.001 0.000 0.259 376 M C 2.160 178.571 176.300 0.185 0.000 1.079 376 M CA 1.491 56.891 55.300 0.165 0.000 1.131 376 M CB -0.607 32.100 32.600 0.179 0.000 1.316 376 M HN 0.366 nan 8.290 nan 0.000 0.415 377 Y N -2.033 118.262 120.300 -0.007 0.000 2.439 377 Y HA 0.166 4.715 4.550 -0.001 0.000 0.292 377 Y C 1.881 177.786 175.900 0.008 0.000 1.130 377 Y CA 0.892 59.006 58.100 0.023 0.000 1.254 377 Y CB -0.691 37.714 38.460 -0.090 0.000 1.000 377 Y HN 0.337 nan 8.280 nan 0.000 0.554 378 S N 0.251 115.571 115.700 -0.632 0.000 2.554 378 S HA 0.390 4.859 4.470 -0.001 0.000 0.226 378 S C 0.076 174.449 174.600 -0.379 0.000 0.980 378 S CA -0.554 57.239 58.200 -0.679 0.000 0.939 378 S CB -0.361 62.336 63.200 -0.838 0.000 0.832 378 S HN 0.483 nan 8.310 nan 0.000 0.486 379 M N 2.143 121.615 119.600 -0.213 0.000 3.488 379 M HA 0.270 4.750 4.480 -0.001 0.000 0.383 379 M C -3.050 173.197 176.300 -0.088 0.000 1.561 379 M CA -0.943 54.256 55.300 -0.169 0.000 0.689 379 M CB 1.879 34.362 32.600 -0.195 0.000 2.826 379 M HN -0.090 nan 8.290 nan 0.000 0.463 380 P HA 0.058 nan 4.420 nan 0.000 0.264 380 P C -2.128 175.123 177.300 -0.080 0.000 1.183 380 P CA -0.333 62.749 63.100 -0.030 0.000 0.763 380 P CB 0.146 31.851 31.700 0.008 0.000 0.807 381 P HA 0.134 nan 4.420 nan 0.000 0.282 381 P C -0.736 176.420 177.300 -0.239 0.000 1.327 381 P CA 0.459 63.426 63.100 -0.221 0.000 0.949 381 P CB 0.546 32.047 31.700 -0.332 0.000 1.445 382 Y N 0.574 120.898 120.300 0.041 0.000 2.429 382 Y HA 0.513 5.062 4.550 -0.001 0.000 0.342 382 Y C -2.197 173.705 175.900 0.003 0.000 1.004 382 Y CA -3.445 54.689 58.100 0.056 0.000 1.075 382 Y CB 0.151 38.667 38.460 0.093 0.000 1.214 382 Y HN -0.237 nan 8.280 nan 0.000 0.455 383 P HA 0.020 nan 4.420 nan 0.000 0.265 383 P C -1.436 175.796 177.300 -0.113 0.000 1.193 383 P CA 0.354 63.321 63.100 -0.222 0.000 0.765 383 P CB -0.077 31.426 31.700 -0.329 0.000 0.823 384 Y N 0.639 121.015 120.300 0.126 0.000 2.973 384 Y HA -0.182 4.367 4.550 -0.001 0.000 0.153 384 Y C -0.403 175.576 175.900 0.132 0.000 1.748 384 Y CA -0.055 58.121 58.100 0.127 0.000 0.920 384 Y CB -2.479 36.116 38.460 0.226 0.000 1.478 384 Y HN 0.186 nan 8.280 nan 0.000 0.366 385 L N 0.143 121.458 121.223 0.153 0.000 2.464 385 L HA 0.862 5.201 4.340 -0.001 0.000 0.266 385 L C 0.583 177.468 176.870 0.024 0.000 0.965 385 L CA -0.243 54.663 54.840 0.110 0.000 0.833 385 L CB 2.057 44.216 42.059 0.166 0.000 1.296 385 L HN 0.621 nan 8.230 nan 0.000 0.405 386 A N 1.364 124.138 122.820 -0.077 0.000 1.640 386 A HA -0.241 4.078 4.320 -0.001 0.000 0.201 386 A C 1.565 178.679 177.584 -0.784 0.000 0.877 386 A CA 0.778 52.727 52.037 -0.146 0.000 1.217 386 A CB -1.881 17.141 19.000 0.036 0.000 1.407 386 A HN 0.828 nan 8.150 nan 0.000 0.704 387 T N -1.536 112.702 114.554 -0.527 0.000 2.760 387 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 387 T C 1.060 175.390 174.700 -0.617 0.000 1.047 387 T CA 2.471 64.225 62.100 -0.576 0.000 1.139 387 T CB -0.471 68.310 68.868 -0.145 0.000 0.855 387 T HN 0.584 nan 8.240 nan 0.000 0.471 388 D N -0.219 119.949 120.400 -0.386 0.000 2.342 388 D HA 0.166 4.805 4.640 -0.001 0.000 0.221 388 D C 0.512 176.695 176.300 -0.195 0.000 1.101 388 D CA -0.646 53.263 54.000 -0.151 0.000 0.837 388 D CB -0.343 40.473 40.800 0.027 0.000 0.938 388 D HN 0.451 nan 8.370 nan 0.000 0.508 389 Y N 0.725 120.831 120.300 -0.325 0.000 2.271 389 Y HA -0.477 4.072 4.550 -0.001 0.000 0.363 389 Y C 2.345 177.999 175.900 -0.409 0.000 0.920 389 Y CA 1.911 59.568 58.100 -0.739 0.000 2.466 389 Y CB -1.789 36.154 38.460 -0.862 0.000 0.680 389 Y HN 0.138 nan 8.280 nan 0.000 0.642 390 A N -0.740 122.034 122.820 -0.075 0.000 2.121 390 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 390 A C 1.866 179.432 177.584 -0.030 0.000 1.154 390 A CA 2.049 54.058 52.037 -0.047 0.000 0.679 390 A CB -1.063 17.908 19.000 -0.049 0.000 0.795 390 A HN 0.750 nan 8.150 nan 0.000 0.458 391 T N -2.844 111.700 114.554 -0.018 0.000 3.186 391 T HA 0.246 4.595 4.350 -0.001 0.000 0.257 391 T C 0.447 175.180 174.700 0.054 0.000 1.029 391 T CA 0.363 62.461 62.100 -0.003 0.000 0.916 391 T CB 0.253 69.107 68.868 -0.023 0.000 1.041 391 T HN 0.443 nan 8.240 nan 0.000 0.562 392 Q N 1.230 121.087 119.800 0.095 0.000 3.214 392 Q HA 0.280 4.620 4.340 -0.001 0.000 0.277 392 Q C -0.288 175.881 176.000 0.282 0.000 0.737 392 Q CA -0.418 55.496 55.803 0.186 0.000 0.971 392 Q CB 0.055 28.923 28.738 0.217 0.000 1.528 392 Q HN 0.585 nan 8.270 nan 0.000 0.375 393 L N -1.902 119.443 121.223 0.203 0.000 2.726 393 L HA 0.323 4.663 4.340 -0.001 0.000 0.287 393 L C 1.573 178.415 176.870 -0.048 0.000 1.047 393 L CA 1.029 56.016 54.840 0.245 0.000 1.304 393 L CB -0.581 41.810 42.059 0.552 0.000 2.440 393 L HN 0.048 nan 8.230 nan 0.000 0.569 394 S N 1.917 117.545 115.700 -0.120 0.000 2.412 394 S HA -0.277 4.193 4.470 -0.001 0.000 0.246 394 S C 1.862 176.460 174.600 -0.004 0.000 1.073 394 S CA 1.993 60.139 58.200 -0.089 0.000 1.186 394 S CB -1.273 61.908 63.200 -0.031 0.000 1.084 394 S HN 0.382 nan 8.310 nan 0.000 0.434 395 L N 0.992 122.245 121.223 0.050 0.000 1.951 395 L HA -0.083 4.256 4.340 -0.001 0.000 0.222 395 L C 2.457 179.408 176.870 0.135 0.000 1.078 395 L CA 2.375 57.283 54.840 0.113 0.000 0.778 395 L CB -1.883 40.306 42.059 0.217 0.000 0.893 395 L HN 0.529 nan 8.230 nan 0.000 0.436 396 F N 0.781 120.709 119.950 -0.036 0.000 2.605 396 F HA -0.195 4.332 4.527 -0.001 0.000 0.296 396 F C 2.128 177.778 175.800 -0.251 0.000 1.146 396 F CA 1.566 59.450 58.000 -0.194 0.000 1.478 396 F CB -0.272 38.434 39.000 -0.490 0.000 1.107 396 F HN 0.326 nan 8.300 nan 0.000 0.600 397 T N -4.267 110.042 114.554 -0.409 0.000 2.999 397 T HA 0.003 4.353 4.350 -0.001 0.000 0.247 397 T C 2.047 176.642 174.700 -0.174 0.000 1.012 397 T CA 0.580 62.396 62.100 -0.472 0.000 1.048 397 T CB -0.830 67.851 68.868 -0.311 0.000 1.020 397 T HN 0.487 nan 8.240 nan 0.000 0.478 398 H N 2.209 121.234 119.070 -0.075 0.000 2.253 398 H HA -0.043 4.513 4.556 -0.001 0.000 0.299 398 H C 0.040 175.320 175.328 -0.081 0.000 1.064 398 H CA 1.568 57.608 56.048 -0.014 0.000 1.264 398 H CB -0.900 28.769 29.762 -0.154 0.000 1.371 398 H HN 0.511 nan 8.280 nan 0.000 0.493 399 H N 0.376 119.535 119.070 0.148 0.000 3.253 399 H HA 0.052 4.608 4.556 -0.001 0.000 0.250 399 H C 0.701 175.925 175.328 -0.173 0.000 1.051 399 H CA 0.534 56.587 56.048 0.009 0.000 1.458 399 H CB 0.464 30.277 29.762 0.085 0.000 1.549 399 H HN 0.394 nan 8.280 nan 0.000 0.506 400 M N 1.389 120.917 119.600 -0.120 0.000 1.395 400 M HA -0.099 4.380 4.480 -0.001 0.000 0.207 400 M C -0.272 175.894 176.300 -0.224 0.000 0.862 400 M CA 0.471 55.589 55.300 -0.304 0.000 0.806 400 M CB -0.839 31.372 32.600 -0.648 0.000 1.831 400 M HN 0.545 nan 8.290 nan 0.000 0.743 401 W N 0.667 121.877 121.300 -0.149 0.000 2.584 401 W HA 0.219 4.879 4.660 -0.001 0.000 0.264 401 W C 1.950 178.487 176.519 0.031 0.000 1.264 401 W CA 0.582 57.907 57.345 -0.033 0.000 1.306 401 W CB 0.241 29.676 29.460 -0.041 0.000 1.110 401 W HN 0.175 nan 8.180 nan 0.000 0.606 402 I N -0.458 120.179 120.570 0.113 0.000 2.400 402 I HA 0.013 4.183 4.170 -0.001 0.000 0.248 402 I C 2.053 178.213 176.117 0.071 0.000 1.109 402 I CA 1.141 62.477 61.300 0.060 0.000 1.425 402 I CB -1.155 36.818 38.000 -0.044 0.000 1.094 402 I HN -0.089 nan 8.210 nan 0.000 0.425 403 G N 0.104 108.923 108.800 0.032 0.000 3.397 403 G HA2 0.284 4.244 3.960 -0.001 0.000 0.248 403 G HA3 0.284 4.244 3.960 -0.001 0.000 0.248 403 G C 0.813 175.712 174.900 -0.002 0.000 1.284 403 G CA 0.676 45.777 45.100 0.003 0.000 1.570 403 G HN 0.537 nan 8.290 nan 0.000 0.587 404 G N -0.530 108.298 108.800 0.048 0.000 4.213 404 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.206 404 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.206 404 G C 0.923 175.852 174.900 0.049 0.000 1.421 404 G CA -0.212 44.909 45.100 0.035 0.000 0.997 404 G HN 0.178 nan 8.290 nan 0.000 0.456 405 F N 0.613 120.587 119.950 0.040 0.000 2.408 405 F HA 0.189 4.715 4.527 -0.001 0.000 0.300 405 F C 2.122 177.904 175.800 -0.029 0.000 1.090 405 F CA 0.956 58.955 58.000 -0.002 0.000 1.427 405 F CB 0.361 39.341 39.000 -0.033 0.000 1.070 405 F HN 0.163 nan 8.300 nan 0.000 0.549 406 L N -0.916 120.391 121.223 0.140 0.000 2.616 406 L HA 0.121 4.460 4.340 -0.001 0.000 0.229 406 L C 1.584 178.473 176.870 0.031 0.000 1.110 406 L CA 0.497 55.379 54.840 0.070 0.000 0.884 406 L CB -0.096 41.987 42.059 0.041 0.000 1.115 406 L HN -0.010 nan 8.230 nan 0.000 0.481 407 I N -1.885 118.695 120.570 0.016 0.000 2.556 407 I HA -0.055 4.115 4.170 -0.001 0.000 0.251 407 I C 2.428 178.538 176.117 -0.011 0.000 1.105 407 I CA 1.250 62.549 61.300 -0.002 0.000 1.436 407 I CB -0.932 37.059 38.000 -0.015 0.000 1.139 407 I HN 0.129 nan 8.210 nan 0.000 0.438 408 V N 2.065 121.956 119.914 -0.039 0.000 2.332 408 V HA -0.169 3.950 4.120 -0.001 0.000 0.248 408 V C 2.382 178.463 176.094 -0.021 0.000 1.055 408 V CA 2.479 64.747 62.300 -0.054 0.000 1.038 408 V CB -1.335 30.414 31.823 -0.123 0.000 0.651 408 V HN 0.389 nan 8.190 nan 0.000 0.450 409 G N 0.160 108.957 108.800 -0.004 0.000 2.529 409 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.219 409 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.219 409 G C 1.755 176.701 174.900 0.077 0.000 1.177 409 G CA 1.414 46.545 45.100 0.051 0.000 0.773 409 G HN 1.171 nan 8.290 nan 0.000 0.573 410 A N 0.278 123.126 122.820 0.048 0.000 2.272 410 A HA 0.363 4.682 4.320 -0.001 0.000 0.213 410 A C 2.404 180.018 177.584 0.049 0.000 1.183 410 A CA 2.168 54.231 52.037 0.043 0.000 0.719 410 A CB -0.351 18.659 19.000 0.017 0.000 0.771 410 A HN 0.831 nan 8.150 nan 0.000 0.484 411 A N -0.893 121.957 122.820 0.050 0.000 1.969 411 A HA 0.506 4.826 4.320 -0.001 0.000 0.205 411 A C 2.382 180.019 177.584 0.087 0.000 1.364 411 A CA 1.184 53.256 52.037 0.058 0.000 0.756 411 A CB -1.170 17.856 19.000 0.042 0.000 0.988 411 A HN 1.039 nan 8.150 nan 0.000 0.490 412 A N -0.116 122.751 122.820 0.079 0.000 1.894 412 A HA -0.347 3.973 4.320 -0.001 0.000 0.220 412 A C 2.053 179.628 177.584 -0.014 0.000 1.237 412 A CA 2.213 54.306 52.037 0.092 0.000 0.660 412 A CB -1.416 17.601 19.000 0.028 0.000 0.835 412 A HN 0.662 nan 8.150 nan 0.000 0.461 413 H N -1.000 118.061 119.070 -0.015 0.000 2.457 413 H HA 0.036 4.592 4.556 -0.001 0.000 0.294 413 H C 2.496 177.851 175.328 0.045 0.000 1.064 413 H CA 1.226 57.229 56.048 -0.074 0.000 1.330 413 H CB -0.256 29.419 29.762 -0.146 0.000 1.395 413 H HN 0.578 nan 8.280 nan 0.000 0.541 414 A N 0.994 123.911 122.820 0.162 0.000 1.898 414 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 414 A C 2.711 180.423 177.584 0.213 0.000 1.181 414 A CA 1.386 53.521 52.037 0.164 0.000 0.620 414 A CB -0.686 18.361 19.000 0.079 0.000 0.819 414 A HN 0.410 nan 8.150 nan 0.000 0.442 415 A N 0.350 123.272 122.820 0.169 0.000 1.883 415 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 415 A C 2.078 179.739 177.584 0.129 0.000 1.186 415 A CA 1.626 53.790 52.037 0.211 0.000 0.624 415 A CB -0.736 18.465 19.000 0.334 0.000 0.822 415 A HN 0.525 nan 8.150 nan 0.000 0.444 416 I N -1.840 118.672 120.570 -0.096 0.000 2.335 416 I HA -0.256 3.914 4.170 -0.001 0.000 0.251 416 I C 2.347 178.562 176.117 0.165 0.000 1.129 416 I CA 1.628 62.840 61.300 -0.146 0.000 1.402 416 I CB -0.422 37.466 38.000 -0.186 0.000 1.069 416 I HN 0.459 nan 8.210 nan 0.000 0.424 417 F N 1.555 121.583 119.950 0.131 0.000 2.022 417 F HA -0.255 4.271 4.527 -0.001 0.000 0.293 417 F C 2.544 178.458 175.800 0.191 0.000 1.142 417 F CA 1.710 59.800 58.000 0.150 0.000 1.177 417 F CB -0.418 38.649 39.000 0.112 0.000 0.982 417 F HN -0.095 nan 8.300 nan 0.000 0.473 418 M N 0.301 120.280 119.600 0.631 0.000 2.192 418 M HA -0.216 4.263 4.480 -0.001 0.000 0.256 418 M C 1.634 178.121 176.300 0.312 0.000 1.076 418 M CA 1.846 57.458 55.300 0.520 0.000 1.075 418 M CB -0.641 32.157 32.600 0.330 0.000 1.368 418 M HN 0.146 nan 8.290 nan 0.000 0.406 419 V N -1.244 118.800 119.914 0.217 0.000 2.278 419 V HA -0.007 4.112 4.120 -0.001 0.000 0.238 419 V C 1.431 177.561 176.094 0.060 0.000 1.039 419 V CA 1.194 63.570 62.300 0.126 0.000 1.017 419 V CB -0.545 31.354 31.823 0.126 0.000 0.657 419 V HN 0.354 nan 8.190 nan 0.000 0.462 420 R N 0.287 120.819 120.500 0.053 0.000 2.621 420 R HA 0.381 4.721 4.340 -0.001 0.000 0.292 420 R C -1.024 175.305 176.300 0.049 0.000 0.969 420 R CA 0.389 56.498 56.100 0.014 0.000 0.887 420 R CB 1.988 32.279 30.300 -0.015 0.000 1.180 420 R HN 0.620 nan 8.270 nan 0.000 0.450 421 D N 1.613 122.141 120.400 0.214 0.000 1.521 421 D HA -0.091 4.548 4.640 -0.001 0.000 0.712 421 D C -0.147 176.259 176.300 0.177 0.000 0.743 421 D CA 0.007 54.051 54.000 0.074 0.000 1.202 421 D CB -0.359 40.337 40.800 -0.173 0.000 1.434 421 D HN 0.360 nan 8.370 nan 0.000 0.482 422 Y N 2.245 122.397 120.300 -0.248 0.000 2.397 422 Y HA 0.456 5.005 4.550 -0.001 0.000 0.335 422 Y C 1.491 177.318 175.900 -0.122 0.000 1.213 422 Y CA -1.351 56.641 58.100 -0.180 0.000 1.391 422 Y CB -0.144 38.180 38.460 -0.227 0.000 1.293 422 Y HN -0.246 nan 8.280 nan 0.000 0.557 423 D N 1.733 122.149 120.400 0.027 0.000 2.106 423 D HA -0.058 4.581 4.640 -0.001 0.000 0.191 423 D C -1.806 174.428 176.300 -0.110 0.000 0.997 423 D CA 1.975 55.954 54.000 -0.035 0.000 0.834 423 D CB -0.679 40.115 40.800 -0.010 0.000 0.956 423 D HN 0.683 nan 8.370 nan 0.000 0.448 424 P HA 0.286 nan 4.420 nan 0.000 0.306 424 P C 0.061 177.288 177.300 -0.122 0.000 1.210 424 P CA -0.137 62.911 63.100 -0.085 0.000 1.021 424 P CB 1.246 32.944 31.700 -0.004 0.000 1.435 425 T N -4.244 110.336 114.554 0.044 0.000 2.951 425 T HA -0.062 4.288 4.350 -0.001 0.000 0.268 425 T C 0.875 175.380 174.700 -0.325 0.000 1.073 425 T CA 1.266 63.483 62.100 0.195 0.000 1.134 425 T CB -1.647 67.654 68.868 0.723 0.000 0.884 425 T HN 0.501 nan 8.240 nan 0.000 0.479 426 T N 2.437 116.560 114.554 -0.719 0.000 4.647 426 T HA 0.192 4.542 4.350 -0.001 0.000 0.224 426 T C 1.208 175.375 174.700 -0.888 0.000 0.928 426 T CA -0.560 60.494 62.100 -1.744 0.000 0.969 426 T CB -0.419 68.184 68.868 -0.442 0.000 1.425 426 T HN 0.523 nan 8.240 nan 0.000 1.045 427 R N -0.192 119.872 120.500 -0.727 0.000 2.362 427 R HA 0.090 4.429 4.340 -0.001 0.000 0.227 427 R C -0.658 175.656 176.300 0.022 0.000 0.905 427 R CA -0.462 55.556 56.100 -0.137 0.000 1.067 427 R CB -0.450 29.965 30.300 0.191 0.000 1.078 427 R HN 0.442 nan 8.270 nan 0.000 0.516 428 Y N 1.954 122.341 120.300 0.145 0.000 2.511 428 Y HA 0.039 4.589 4.550 -0.001 0.000 0.347 428 Y C 0.851 176.809 175.900 0.097 0.000 1.257 428 Y CA 0.092 58.261 58.100 0.114 0.000 1.469 428 Y CB 0.089 38.593 38.460 0.075 0.000 1.353 428 Y HN 0.125 nan 8.280 nan 0.000 0.617 429 N N 1.047 119.901 118.700 0.257 0.000 2.714 429 N HA -0.196 4.543 4.740 -0.001 0.000 0.252 429 N C -1.827 173.749 175.510 0.109 0.000 1.014 429 N CA 1.285 54.426 53.050 0.151 0.000 0.735 429 N CB -1.109 37.456 38.487 0.130 0.000 0.924 429 N HN 0.655 nan 8.380 nan 0.000 0.540 430 D N -1.582 118.875 120.400 0.094 0.000 2.645 430 D HA 0.359 4.998 4.640 -0.001 0.000 0.228 430 D C 1.126 177.430 176.300 0.006 0.000 1.148 430 D CA -0.814 53.213 54.000 0.045 0.000 0.860 430 D CB 0.539 41.361 40.800 0.037 0.000 1.548 430 D HN -0.044 nan 8.370 nan 0.000 0.460 431 L N -0.247 120.961 121.223 -0.025 0.000 3.343 431 L HA -0.361 3.978 4.340 -0.001 0.000 0.235 431 L C 0.905 177.738 176.870 -0.062 0.000 1.157 431 L CA 2.274 57.070 54.840 -0.074 0.000 0.796 431 L CB -1.230 40.747 42.059 -0.137 0.000 0.994 431 L HN 0.686 nan 8.230 nan 0.000 0.465 432 L N -1.236 119.957 121.223 -0.050 0.000 2.228 432 L HA 0.083 4.422 4.340 -0.001 0.000 0.196 432 L C 1.908 178.801 176.870 0.038 0.000 1.162 432 L CA 1.854 56.680 54.840 -0.023 0.000 0.801 432 L CB -0.868 41.171 42.059 -0.034 0.000 0.983 432 L HN 0.427 nan 8.230 nan 0.000 0.471 433 D N -0.492 119.949 120.400 0.068 0.000 2.382 433 D HA -0.309 4.331 4.640 -0.001 0.000 0.194 433 D C 2.053 178.384 176.300 0.052 0.000 1.026 433 D CA 1.847 55.893 54.000 0.077 0.000 0.913 433 D CB -0.187 40.674 40.800 0.101 0.000 0.894 433 D HN 0.232 nan 8.370 nan 0.000 0.453 434 R N 0.042 120.562 120.500 0.034 0.000 2.078 434 R HA -0.060 4.279 4.340 -0.001 0.000 0.224 434 R C 2.489 178.840 176.300 0.086 0.000 1.149 434 R CA 1.204 57.315 56.100 0.018 0.000 0.916 434 R CB -0.815 29.478 30.300 -0.012 0.000 0.821 434 R HN 0.218 nan 8.270 nan 0.000 0.434 435 V N 1.226 121.217 119.914 0.129 0.000 2.233 435 V HA -0.297 3.822 4.120 -0.001 0.000 0.252 435 V C 1.905 178.144 176.094 0.243 0.000 1.063 435 V CA 2.145 64.601 62.300 0.260 0.000 1.032 435 V CB -0.609 31.267 31.823 0.088 0.000 0.645 435 V HN 0.284 nan 8.190 nan 0.000 0.446 436 L N 0.114 121.396 121.223 0.099 0.000 2.064 436 L HA -0.237 4.102 4.340 -0.001 0.000 0.216 436 L C 2.757 179.670 176.870 0.072 0.000 1.077 436 L CA 2.739 57.602 54.840 0.039 0.000 0.766 436 L CB -1.263 40.802 42.059 0.010 0.000 0.890 436 L HN 0.379 nan 8.230 nan 0.000 0.435 437 R N -1.000 119.560 120.500 0.099 0.000 2.136 437 R HA -0.190 4.149 4.340 -0.001 0.000 0.242 437 R C 0.565 176.937 176.300 0.119 0.000 1.131 437 R CA 1.786 57.925 56.100 0.066 0.000 0.937 437 R CB -0.681 29.624 30.300 0.008 0.000 0.863 437 R HN 0.565 nan 8.270 nan 0.000 0.435 438 H N -1.335 117.729 119.070 -0.009 0.000 2.481 438 H HA 0.348 4.904 4.556 -0.001 0.000 0.339 438 H C 0.658 175.991 175.328 0.008 0.000 1.131 438 H CA -0.820 55.231 56.048 0.005 0.000 1.301 438 H CB 1.333 31.098 29.762 0.005 0.000 1.476 438 H HN 0.179 nan 8.280 nan 0.000 0.529 439 R N 0.798 121.331 120.500 0.056 0.000 1.775 439 R HA -0.071 4.268 4.340 -0.001 0.000 0.034 439 R C -0.441 175.995 176.300 0.226 0.000 0.819 439 R CA 0.689 56.804 56.100 0.025 0.000 3.377 439 R CB -0.677 29.553 30.300 -0.118 0.000 0.892 439 R HN 0.619 nan 8.270 nan 0.000 0.564 440 D N 0.940 121.474 120.400 0.224 0.000 2.676 440 D HA 0.664 5.303 4.640 -0.001 0.000 0.239 440 D C 0.789 177.195 176.300 0.176 0.000 1.213 440 D CA 0.612 54.788 54.000 0.293 0.000 0.835 440 D CB 0.547 41.505 40.800 0.264 0.000 1.009 440 D HN 0.578 nan 8.370 nan 0.000 0.479 441 A N -0.833 122.076 122.820 0.149 0.000 1.594 441 A HA 0.284 4.604 4.320 -0.001 0.000 0.200 441 A C 1.762 179.419 177.584 0.122 0.000 1.674 441 A CA 0.426 52.549 52.037 0.143 0.000 1.272 441 A CB -0.162 18.927 19.000 0.149 0.000 1.157 441 A HN 0.273 nan 8.150 nan 0.000 0.486 442 I N 0.491 121.023 120.570 -0.063 0.000 2.335 442 I HA -0.208 3.962 4.170 -0.001 0.000 0.251 442 I C 1.664 177.803 176.117 0.037 0.000 1.129 442 I CA 1.432 62.670 61.300 -0.102 0.000 1.402 442 I CB -0.080 37.759 38.000 -0.268 0.000 1.069 442 I HN 0.298 nan 8.210 nan 0.000 0.424 443 I N -0.549 120.066 120.570 0.075 0.000 3.783 443 I HA -0.070 4.099 4.170 -0.001 0.000 0.310 443 I C 2.474 178.645 176.117 0.090 0.000 1.274 443 I CA 0.714 62.064 61.300 0.085 0.000 1.294 443 I CB -0.234 37.821 38.000 0.091 0.000 1.051 443 I HN 0.082 nan 8.210 nan 0.000 0.435 444 S N 0.004 115.776 115.700 0.120 0.000 2.345 444 S HA -0.106 4.364 4.470 -0.001 0.000 0.220 444 S C 1.021 175.642 174.600 0.035 0.000 1.031 444 S CA 0.741 58.985 58.200 0.075 0.000 0.996 444 S CB -0.373 62.875 63.200 0.081 0.000 0.882 444 S HN 0.431 nan 8.310 nan 0.000 0.445 445 H N 0.323 119.424 119.070 0.052 0.000 2.745 445 H HA 0.441 4.997 4.556 -0.001 0.000 0.373 445 H C 0.873 176.258 175.328 0.094 0.000 1.226 445 H CA 0.663 56.771 56.048 0.101 0.000 1.435 445 H CB 0.882 30.682 29.762 0.064 0.000 1.461 445 H HN 0.315 nan 8.280 nan 0.000 0.616 446 L N 0.605 121.971 121.223 0.239 0.000 2.365 446 L HA -0.343 3.996 4.340 -0.001 0.000 0.460 446 L C 1.209 178.115 176.870 0.060 0.000 0.704 446 L CA 2.218 57.118 54.840 0.099 0.000 3.226 446 L CB -1.394 40.705 42.059 0.067 0.000 0.636 446 L HN 0.671 nan 8.230 nan 0.000 0.771 447 N N -0.935 117.819 118.700 0.089 0.000 2.081 447 N HA -0.174 4.566 4.740 -0.001 0.000 0.191 447 N C 1.357 176.921 175.510 0.089 0.000 1.053 447 N CA 2.086 55.171 53.050 0.058 0.000 0.846 447 N CB -0.542 37.978 38.487 0.055 0.000 1.032 447 N HN 0.635 nan 8.380 nan 0.000 0.431 448 W N 1.163 122.435 121.300 -0.047 0.000 2.321 448 W HA -0.214 4.446 4.660 -0.001 0.000 0.306 448 W C 1.620 178.159 176.519 0.033 0.000 1.217 448 W CA 1.351 58.673 57.345 -0.037 0.000 1.257 448 W CB -0.678 28.729 29.460 -0.090 0.000 1.145 448 W HN -0.086 nan 8.180 nan 0.000 0.509 449 V N 1.391 121.168 119.914 -0.227 0.000 2.277 449 V HA -0.485 3.634 4.120 -0.001 0.000 0.253 449 V C 2.415 178.327 176.094 -0.303 0.000 1.067 449 V CA 2.365 64.351 62.300 -0.523 0.000 1.047 449 V CB -1.633 30.082 31.823 -0.180 0.000 0.649 449 V HN 0.510 nan 8.190 nan 0.000 0.447 450 C N 0.428 119.653 119.300 -0.125 0.000 2.466 450 C HA -0.037 4.423 4.460 -0.001 0.000 0.278 450 C C 2.513 177.550 174.990 0.079 0.000 1.288 450 C CA 0.771 59.812 59.018 0.039 0.000 1.722 450 C CB -1.127 26.617 27.740 0.007 0.000 2.017 450 C HN 0.757 nan 8.230 nan 0.000 0.488 451 I N -0.260 120.271 120.570 -0.065 0.000 2.676 451 I HA -0.027 4.142 4.170 -0.001 0.000 0.259 451 I C 2.086 178.049 176.117 -0.257 0.000 1.194 451 I CA 1.254 62.454 61.300 -0.166 0.000 1.473 451 I CB -1.160 36.693 38.000 -0.245 0.000 1.096 451 I HN 0.301 nan 8.210 nan 0.000 0.443 452 F N 1.943 121.636 119.950 -0.429 0.000 2.074 452 F HA 0.140 4.666 4.527 -0.001 0.000 0.293 452 F C 1.247 177.044 175.800 -0.004 0.000 1.116 452 F CA 0.749 58.548 58.000 -0.336 0.000 1.212 452 F CB -0.280 38.203 39.000 -0.862 0.000 0.998 452 F HN -0.082 nan 8.300 nan 0.000 0.471 453 L N 0.326 121.294 121.223 -0.425 0.000 2.456 453 L HA 0.142 4.482 4.340 -0.001 0.000 0.266 453 L C 1.792 178.589 176.870 -0.121 0.000 1.258 453 L CA 0.730 55.422 54.840 -0.247 0.000 0.823 453 L CB -0.651 41.491 42.059 0.139 0.000 1.100 453 L HN 0.640 nan 8.230 nan 0.000 0.531 454 G N -0.315 108.277 108.800 -0.346 0.000 3.548 454 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.224 454 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.224 454 G C 0.897 175.720 174.900 -0.129 0.000 1.351 454 G CA 0.810 45.585 45.100 -0.542 0.000 0.905 454 G HN 0.565 nan 8.290 nan 0.000 0.561 455 F N 0.433 120.202 119.950 -0.300 0.000 2.206 455 F HA 0.142 4.669 4.527 -0.001 0.000 0.298 455 F C 2.577 178.052 175.800 -0.542 0.000 1.090 455 F CA 1.527 59.312 58.000 -0.360 0.000 1.323 455 F CB 0.075 38.906 39.000 -0.282 0.000 1.028 455 F HN 0.345 nan 8.300 nan 0.000 0.492 456 H N -2.964 115.921 119.070 -0.309 0.000 2.551 456 H HA 0.131 4.687 4.556 -0.001 0.000 0.271 456 H C 1.570 176.603 175.328 -0.491 0.000 0.984 456 H CA 0.494 56.257 56.048 -0.474 0.000 1.164 456 H CB 0.551 29.891 29.762 -0.704 0.000 1.437 456 H HN -0.032 nan 8.280 nan 0.000 0.550 457 S N -1.089 114.430 115.700 -0.302 0.000 2.666 457 S HA 0.144 4.613 4.470 -0.001 0.000 0.239 457 S C 0.474 174.962 174.600 -0.187 0.000 1.031 457 S CA -0.297 57.748 58.200 -0.258 0.000 1.015 457 S CB 0.210 63.318 63.200 -0.154 0.000 0.981 457 S HN 0.377 nan 8.310 nan 0.000 0.547 458 F N 0.039 119.770 119.950 -0.365 0.000 2.300 458 F HA 0.391 4.917 4.527 -0.001 0.000 0.307 458 F C 1.660 177.357 175.800 -0.171 0.000 0.847 458 F CA 0.902 58.776 58.000 -0.210 0.000 1.076 458 F CB -0.441 38.421 39.000 -0.229 0.000 1.075 458 F HN 0.012 nan 8.300 nan 0.000 0.702 459 G N 2.275 110.543 108.800 -0.888 0.000 2.501 459 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.220 459 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.220 459 G C 1.551 176.126 174.900 -0.541 0.000 1.114 459 G CA 1.169 45.742 45.100 -0.879 0.000 0.757 459 G HN 0.434 nan 8.290 nan 0.000 0.559 460 L N -0.342 120.583 121.223 -0.497 0.000 1.978 460 L HA -0.161 4.179 4.340 -0.001 0.000 0.218 460 L C 2.589 179.252 176.870 -0.345 0.000 1.075 460 L CA 1.901 56.434 54.840 -0.512 0.000 0.767 460 L CB -0.639 41.016 42.059 -0.674 0.000 0.890 460 L HN 0.279 nan 8.230 nan 0.000 0.434 461 Y N -0.532 119.629 120.300 -0.231 0.000 2.097 461 Y HA -0.275 4.275 4.550 -0.001 0.000 0.282 461 Y C 2.579 178.423 175.900 -0.093 0.000 1.152 461 Y CA 2.041 60.086 58.100 -0.091 0.000 1.136 461 Y CB -0.635 37.845 38.460 0.034 0.000 0.975 461 Y HN 0.189 nan 8.280 nan 0.000 0.498 462 I N -0.785 119.748 120.570 -0.062 0.000 2.423 462 I HA -0.378 3.792 4.170 -0.001 0.000 0.254 462 I C 2.648 178.732 176.117 -0.056 0.000 1.151 462 I CA 1.211 62.435 61.300 -0.126 0.000 1.421 462 I CB -0.345 37.434 38.000 -0.367 0.000 1.079 462 I HN 0.403 nan 8.210 nan 0.000 0.431 463 H N 1.305 120.278 119.070 -0.162 0.000 2.257 463 H HA -0.256 4.300 4.556 -0.001 0.000 0.292 463 H C 1.962 177.276 175.328 -0.025 0.000 1.075 463 H CA 2.594 58.585 56.048 -0.096 0.000 1.212 463 H CB -0.268 29.443 29.762 -0.085 0.000 1.354 463 H HN 0.470 nan 8.280 nan 0.000 0.497 464 N N 0.338 119.043 118.700 0.007 0.000 2.027 464 N HA -0.227 4.513 4.740 -0.001 0.000 0.200 464 N C 1.497 176.985 175.510 -0.036 0.000 1.042 464 N CA 1.982 55.024 53.050 -0.013 0.000 0.871 464 N CB -0.428 38.128 38.487 0.114 0.000 1.063 464 N HN 0.478 nan 8.380 nan 0.000 0.438 465 D N -0.011 120.395 120.400 0.010 0.000 2.160 465 D HA -0.191 4.448 4.640 -0.001 0.000 0.189 465 D C 2.106 178.381 176.300 -0.041 0.000 1.003 465 D CA 2.347 56.346 54.000 -0.001 0.000 0.846 465 D CB -0.693 40.115 40.800 0.013 0.000 0.949 465 D HN 0.467 nan 8.370 nan 0.000 0.446 466 T N -2.393 112.123 114.554 -0.064 0.000 3.077 466 T HA -0.065 4.284 4.350 -0.001 0.000 0.269 466 T C 1.546 176.188 174.700 -0.097 0.000 1.146 466 T CA 0.779 62.836 62.100 -0.071 0.000 1.091 466 T CB -0.005 68.823 68.868 -0.067 0.000 0.892 466 T HN 0.133 nan 8.240 nan 0.000 0.533 467 M N -0.441 119.074 119.600 -0.142 0.000 2.211 467 M HA 0.297 4.777 4.480 -0.001 0.000 0.338 467 M C 1.954 178.188 176.300 -0.110 0.000 0.893 467 M CA 0.127 55.326 55.300 -0.168 0.000 1.096 467 M CB 0.782 33.164 32.600 -0.363 0.000 1.923 467 M HN 0.312 nan 8.290 nan 0.000 0.656 468 S N -0.064 115.589 115.700 -0.077 0.000 2.492 468 S HA 0.201 4.670 4.470 -0.001 0.000 0.218 468 S C 1.597 176.185 174.600 -0.021 0.000 1.016 468 S CA 0.795 58.976 58.200 -0.033 0.000 0.916 468 S CB 0.238 63.436 63.200 -0.003 0.000 0.791 468 S HN 0.432 nan 8.310 nan 0.000 0.513 469 A N 1.464 124.268 122.820 -0.027 0.000 1.935 469 A HA 0.331 4.651 4.320 -0.001 0.000 0.214 469 A C 2.047 179.616 177.584 -0.026 0.000 1.178 469 A CA 0.531 52.555 52.037 -0.022 0.000 0.640 469 A CB -0.598 18.389 19.000 -0.021 0.000 0.825 469 A HN 0.523 nan 8.150 nan 0.000 0.447 470 L N -0.693 120.508 121.223 -0.037 0.000 2.083 470 L HA 0.024 4.363 4.340 -0.001 0.000 0.209 470 L C 1.394 178.247 176.870 -0.029 0.000 1.083 470 L CA 0.884 55.703 54.840 -0.035 0.000 0.752 470 L CB -0.719 41.312 42.059 -0.045 0.000 0.899 470 L HN 0.607 nan 8.230 nan 0.000 0.433 471 G N 0.857 109.637 108.800 -0.033 0.000 2.788 471 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.249 471 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.249 471 G C 0.151 175.039 174.900 -0.019 0.000 1.008 471 G CA -0.338 44.749 45.100 -0.021 0.000 1.220 471 G HN 0.239 nan 8.290 nan 0.000 0.506 472 R N 1.972 122.458 120.500 -0.023 0.000 2.534 472 R HA 0.163 4.503 4.340 -0.001 0.000 0.438 472 R C -1.100 175.195 176.300 -0.008 0.000 0.913 472 R CA -0.399 55.692 56.100 -0.015 0.000 1.130 472 R CB 0.411 30.701 30.300 -0.017 0.000 1.611 472 R HN 0.392 nan 8.270 nan 0.000 0.571 473 P HA -0.350 nan 4.420 nan 0.000 0.236 473 P C 1.058 178.365 177.300 0.011 0.000 1.114 473 P CA 1.660 64.766 63.100 0.010 0.000 0.951 473 P CB 0.053 31.765 31.700 0.019 0.000 0.727 474 Q N -1.677 118.127 119.800 0.007 0.000 2.293 474 Q HA -0.251 4.088 4.340 -0.001 0.000 0.218 474 Q C 0.709 176.710 176.000 0.001 0.000 1.015 474 Q CA 1.881 57.687 55.803 0.004 0.000 0.941 474 Q CB -0.664 28.075 28.738 0.002 0.000 0.979 474 Q HN 0.477 nan 8.270 nan 0.000 0.416 475 D N -1.659 118.744 120.400 0.006 0.000 2.582 475 D HA 0.182 4.821 4.640 -0.001 0.000 0.246 475 D C 0.870 177.211 176.300 0.067 0.000 1.334 475 D CA -0.116 53.897 54.000 0.022 0.000 0.805 475 D CB 0.260 41.078 40.800 0.031 0.000 1.087 475 D HN 0.143 nan 8.370 nan 0.000 0.499 476 M N -0.621 119.010 119.600 0.051 0.000 2.333 476 M HA -0.053 4.427 4.480 -0.001 0.000 0.264 476 M C 0.132 176.622 176.300 0.316 0.000 1.107 476 M CA 2.013 57.379 55.300 0.110 0.000 1.092 476 M CB 0.250 32.903 32.600 0.088 0.000 1.212 476 M HN 0.000 nan 8.290 nan 0.000 0.462 477 F N -1.017 118.989 119.950 0.094 0.000 1.786 477 F HA -0.030 4.496 4.527 -0.001 0.000 0.218 477 F C 0.282 176.131 175.800 0.081 0.000 1.058 477 F CA 0.299 58.347 58.000 0.079 0.000 2.527 477 F CB -0.952 38.085 39.000 0.061 0.000 3.509 477 F HN 0.331 nan 8.300 nan 0.000 0.244 478 S N -0.199 115.632 115.700 0.218 0.000 2.576 478 S HA 0.080 4.549 4.470 -0.001 0.000 0.272 478 S C 1.155 175.862 174.600 0.179 0.000 1.352 478 S CA 0.248 58.560 58.200 0.186 0.000 1.021 478 S CB 1.102 64.379 63.200 0.129 0.000 0.887 478 S HN 0.237 nan 8.310 nan 0.000 0.542 479 D N 1.220 121.732 120.400 0.186 0.000 2.149 479 D HA -0.142 4.497 4.640 -0.001 0.000 0.198 479 D C 2.147 178.530 176.300 0.137 0.000 0.990 479 D CA 2.127 56.240 54.000 0.189 0.000 0.839 479 D CB -0.686 40.233 40.800 0.198 0.000 0.948 479 D HN 0.848 nan 8.370 nan 0.000 0.460 480 T N -1.862 112.758 114.554 0.111 0.000 2.857 480 T HA 0.079 4.428 4.350 -0.001 0.000 0.266 480 T C 2.062 176.792 174.700 0.049 0.000 1.048 480 T CA 1.459 63.605 62.100 0.075 0.000 1.139 480 T CB -0.388 68.521 68.868 0.068 0.000 0.874 480 T HN 0.093 nan 8.240 nan 0.000 0.455 481 A N 0.872 123.720 122.820 0.047 0.000 1.874 481 A HA 0.442 4.761 4.320 -0.001 0.000 0.214 481 A C 1.135 178.701 177.584 -0.030 0.000 1.189 481 A CA 0.331 52.378 52.037 0.015 0.000 0.615 481 A CB -0.396 18.620 19.000 0.027 0.000 0.830 481 A HN 0.537 nan 8.150 nan 0.000 0.443 482 I N -0.014 120.511 120.570 -0.076 0.000 2.377 482 I HA 0.358 4.528 4.170 -0.001 0.000 0.293 482 I C -1.017 175.035 176.117 -0.107 0.000 0.987 482 I CA -0.477 60.716 61.300 -0.179 0.000 1.185 482 I CB 1.797 39.511 38.000 -0.478 0.000 1.341 482 I HN 0.184 nan 8.210 nan 0.000 0.455 483 Q N 6.922 126.678 119.800 -0.073 0.000 2.390 483 Q HA 0.326 4.665 4.340 -0.001 0.000 0.249 483 Q C 0.494 176.502 176.000 0.014 0.000 0.996 483 Q CA -0.207 55.587 55.803 -0.015 0.000 0.899 483 Q CB 1.072 29.803 28.738 -0.011 0.000 1.216 483 Q HN 0.593 nan 8.270 nan 0.000 0.465 484 L N -0.200 121.052 121.223 0.050 0.000 2.209 484 L HA 0.113 4.453 4.340 -0.001 0.000 0.207 484 L C -0.207 176.681 176.870 0.030 0.000 1.094 484 L CA 0.362 55.236 54.840 0.058 0.000 0.790 484 L CB -0.807 41.312 42.059 0.100 0.000 0.932 484 L HN 0.550 nan 8.230 nan 0.000 0.447 485 Q N -1.487 118.329 119.800 0.026 0.000 2.196 485 Q HA -0.093 4.247 4.340 -0.001 0.000 0.040 485 Q C -2.354 173.630 176.000 -0.027 0.000 1.413 485 Q CA 0.280 56.084 55.803 0.002 0.000 0.207 485 Q CB -1.760 26.974 28.738 -0.007 0.000 4.217 485 Q HN 0.161 nan 8.270 nan 0.000 0.303 486 P HA 0.233 nan 4.420 nan 0.000 0.226 486 P C -0.805 176.332 177.300 -0.273 0.000 1.783 486 P CA 0.267 63.288 63.100 -0.132 0.000 0.980 486 P CB 0.164 31.814 31.700 -0.084 0.000 1.967 487 V N 2.016 121.750 119.914 -0.301 0.000 2.709 487 V HA 0.243 4.363 4.120 -0.001 0.000 0.308 487 V C 0.894 176.743 176.094 -0.408 0.000 1.062 487 V CA -0.568 61.439 62.300 -0.487 0.000 0.901 487 V CB 1.801 33.485 31.823 -0.231 0.000 1.003 487 V HN 0.020 nan 8.190 nan 0.000 0.425 488 F N 2.571 122.526 119.950 0.009 0.000 2.293 488 F HA 0.121 4.647 4.527 -0.001 0.000 0.297 488 F C 2.244 178.050 175.800 0.010 0.000 1.089 488 F CA 0.992 58.987 58.000 -0.008 0.000 1.377 488 F CB -1.192 37.797 39.000 -0.019 0.000 1.051 488 F HN 0.545 nan 8.300 nan 0.000 0.511 489 A N 0.364 123.222 122.820 0.064 0.000 1.883 489 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 489 A C 1.368 179.024 177.584 0.120 0.000 1.186 489 A CA 1.369 53.480 52.037 0.123 0.000 0.624 489 A CB -1.057 17.961 19.000 0.030 0.000 0.822 489 A HN 0.522 nan 8.150 nan 0.000 0.444 490 Q N -1.646 118.211 119.800 0.096 0.000 2.340 490 Q HA 0.428 4.768 4.340 -0.001 0.000 0.259 490 Q C -0.191 175.918 176.000 0.180 0.000 0.964 490 Q CA -0.906 54.949 55.803 0.086 0.000 0.900 490 Q CB 0.923 29.674 28.738 0.021 0.000 1.228 490 Q HN 0.652 nan 8.270 nan 0.000 0.449 491 W N 4.143 125.395 121.300 -0.080 0.000 4.467 491 W HA 0.278 4.938 4.660 -0.001 0.000 0.637 491 W C 0.539 176.969 176.519 -0.147 0.000 3.457 491 W CA -0.294 56.986 57.345 -0.108 0.000 1.134 491 W CB 0.042 29.427 29.460 -0.125 0.000 2.133 491 W HN 0.631 nan 8.180 nan 0.000 0.354 492 I N 1.291 121.912 120.570 0.086 0.000 2.333 492 I HA -0.261 3.909 4.170 -0.001 0.000 0.246 492 I C 2.541 178.488 176.117 -0.284 0.000 1.106 492 I CA 1.273 62.456 61.300 -0.195 0.000 1.411 492 I CB -0.484 37.330 38.000 -0.309 0.000 1.082 492 I HN 0.331 nan 8.210 nan 0.000 0.420 493 Q N 1.126 120.811 119.800 -0.191 0.000 2.077 493 Q HA -0.300 4.040 4.340 -0.001 0.000 0.206 493 Q C 1.912 177.816 176.000 -0.160 0.000 0.989 493 Q CA 2.320 57.955 55.803 -0.279 0.000 0.853 493 Q CB -0.084 28.610 28.738 -0.074 0.000 0.907 493 Q HN 0.373 nan 8.270 nan 0.000 0.418 494 N N -0.921 117.754 118.700 -0.043 0.000 2.223 494 N HA -0.128 4.612 4.740 -0.001 0.000 0.185 494 N C 1.528 177.029 175.510 -0.014 0.000 1.016 494 N CA 1.618 54.670 53.050 0.004 0.000 0.863 494 N CB -0.200 38.303 38.487 0.025 0.000 0.983 494 N HN 0.221 nan 8.380 nan 0.000 0.429 495 T N -1.487 113.033 114.554 -0.057 0.000 2.904 495 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 495 T C 1.553 176.258 174.700 0.010 0.000 1.059 495 T CA 1.115 63.194 62.100 -0.036 0.000 1.137 495 T CB -0.282 68.551 68.868 -0.059 0.000 0.879 495 T HN 0.388 nan 8.240 nan 0.000 0.467 496 H N -0.096 118.801 119.070 -0.288 0.000 2.357 496 H HA 0.274 4.829 4.556 -0.001 0.000 0.301 496 H C 0.897 176.178 175.328 -0.078 0.000 1.082 496 H CA 0.565 56.356 56.048 -0.427 0.000 1.342 496 H CB 0.161 29.179 29.762 -1.240 0.000 1.389 496 H HN 0.371 nan 8.280 nan 0.000 0.511 497 A N 0.396 123.342 122.820 0.210 0.000 2.318 497 A HA 0.455 4.774 4.320 -0.001 0.000 0.317 497 A C 0.407 178.085 177.584 0.157 0.000 1.159 497 A CA -0.376 51.838 52.037 0.295 0.000 0.799 497 A CB 1.134 20.413 19.000 0.465 0.000 1.194 497 A HN 0.489 nan 8.150 nan 0.000 0.479 498 L N 0.154 121.442 121.223 0.109 0.000 3.842 498 L HA -0.222 4.117 4.340 -0.001 0.000 0.420 498 L C 1.761 178.659 176.870 0.046 0.000 0.809 498 L CA 0.646 55.523 54.840 0.063 0.000 2.116 498 L CB -1.736 40.350 42.059 0.046 0.000 1.478 498 L HN 0.950 nan 8.230 nan 0.000 0.551 499 A N 0.371 123.228 122.820 0.062 0.000 1.908 499 A HA -0.031 4.289 4.320 -0.001 0.000 0.218 499 A C -1.058 176.529 177.584 0.004 0.000 1.181 499 A CA 1.776 53.834 52.037 0.034 0.000 0.627 499 A CB -1.091 17.944 19.000 0.058 0.000 0.818 499 A HN 0.443 nan 8.150 nan 0.000 0.445 500 P HA 0.176 nan 4.420 nan 0.000 0.230 500 P C 0.619 177.908 177.300 -0.018 0.000 1.791 500 P CA 0.596 63.682 63.100 -0.023 0.000 1.020 500 P CB 0.033 31.712 31.700 -0.034 0.000 1.977 501 G N 1.178 109.969 108.800 -0.015 0.000 2.603 501 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.214 501 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.214 501 G C 0.626 175.514 174.900 -0.020 0.000 1.140 501 G CA 0.338 45.429 45.100 -0.015 0.000 0.800 501 G HN 0.279 nan 8.290 nan 0.000 0.533 502 T N 0.417 114.957 114.554 -0.024 0.000 2.816 502 T HA 0.293 4.642 4.350 -0.001 0.000 0.282 502 T C 2.177 176.859 174.700 -0.030 0.000 0.993 502 T CA 0.503 62.588 62.100 -0.025 0.000 0.994 502 T CB 1.309 70.163 68.868 -0.023 0.000 1.025 502 T HN 0.239 nan 8.240 nan 0.000 0.529 503 T N -0.337 114.202 114.554 -0.024 0.000 2.822 503 T HA -0.082 4.267 4.350 -0.001 0.000 0.270 503 T C 1.071 175.749 174.700 -0.038 0.000 1.064 503 T CA 0.721 62.807 62.100 -0.024 0.000 1.131 503 T CB -0.618 68.241 68.868 -0.015 0.000 0.858 503 T HN 0.770 nan 8.240 nan 0.000 0.483 504 A N 3.577 126.372 122.820 -0.042 0.000 2.566 504 A HA 0.337 4.656 4.320 -0.001 0.000 0.245 504 A C -0.252 177.278 177.584 -0.090 0.000 1.056 504 A CA -0.610 51.386 52.037 -0.068 0.000 0.757 504 A CB 0.203 19.171 19.000 -0.054 0.000 0.979 504 A HN 0.442 nan 8.150 nan 0.000 0.508 505 P HA 0.075 nan 4.420 nan 0.000 0.220 505 P C 0.747 177.922 177.300 -0.209 0.000 1.154 505 P CA 1.395 64.391 63.100 -0.173 0.000 0.830 505 P CB 0.216 31.782 31.700 -0.225 0.000 0.803 506 G N -1.049 107.572 108.800 -0.299 0.000 2.470 506 G HA2 0.486 4.445 3.960 -0.001 0.000 0.320 506 G HA3 0.486 4.445 3.960 -0.001 0.000 0.320 506 G C -0.136 174.622 174.900 -0.238 0.000 1.245 506 G CA -0.135 44.696 45.100 -0.449 0.000 0.935 506 G HN 0.239 nan 8.290 nan 0.000 0.476 507 A N 2.234 124.959 122.820 -0.158 0.000 3.115 507 A HA 0.177 4.496 4.320 -0.001 0.000 0.263 507 A C 1.251 178.824 177.584 -0.018 0.000 1.391 507 A CA 1.186 53.189 52.037 -0.057 0.000 0.778 507 A CB -2.421 16.635 19.000 0.094 0.000 1.034 507 A HN 2.996 nan 8.150 nan 0.000 0.551 508 T N -5.492 109.047 114.554 -0.025 0.000 3.626 508 T HA 0.218 4.567 4.350 -0.001 0.000 0.393 508 T C 0.910 175.633 174.700 0.037 0.000 0.765 508 T CA 2.114 64.215 62.100 0.002 0.000 2.006 508 T CB -2.244 66.619 68.868 -0.008 0.000 1.739 508 T HN 2.725 nan 8.240 nan 0.000 0.720 509 A N -1.249 121.599 122.820 0.046 0.000 3.565 509 A HA 0.460 4.779 4.320 -0.001 0.000 0.131 509 A C 0.472 178.111 177.584 0.090 0.000 1.299 509 A CA 0.493 52.569 52.037 0.066 0.000 1.184 509 A CB -0.701 18.339 19.000 0.067 0.000 0.831 509 A HN 1.706 nan 8.150 nan 0.000 0.398 510 S N -1.619 114.127 115.700 0.078 0.000 2.656 510 S HA 0.574 5.043 4.470 -0.001 0.000 0.273 510 S C 0.539 175.162 174.600 0.038 0.000 1.168 510 S CA 0.244 58.501 58.200 0.095 0.000 0.817 510 S CB 1.585 64.800 63.200 0.026 0.000 1.146 510 S HN 0.608 nan 8.310 nan 0.000 0.475 511 T N 1.178 115.741 114.554 0.014 0.000 2.896 511 T HA 0.112 4.461 4.350 -0.001 0.000 0.263 511 T C 0.747 175.165 174.700 -0.470 0.000 1.050 511 T CA 0.947 62.951 62.100 -0.160 0.000 1.140 511 T CB 0.022 68.873 68.868 -0.029 0.000 0.877 511 T HN 0.425 nan 8.240 nan 0.000 0.457 512 S N 0.467 115.558 115.700 -1.013 0.000 2.519 512 S HA 0.418 4.887 4.470 -0.001 0.000 0.309 512 S C 0.548 174.680 174.600 -0.779 0.000 1.100 512 S CA -0.819 56.769 58.200 -1.020 0.000 1.059 512 S CB 1.259 63.530 63.200 -1.549 0.000 1.008 512 S HN 0.107 nan 8.310 nan 0.000 0.478 513 L N 5.872 126.843 121.223 -0.420 0.000 2.131 513 L HA -0.014 4.325 4.340 -0.001 0.000 0.210 513 L C 2.602 179.363 176.870 -0.182 0.000 1.092 513 L CA 2.934 57.644 54.840 -0.217 0.000 0.759 513 L CB -1.439 40.545 42.059 -0.124 0.000 0.903 513 L HN 0.965 nan 8.230 nan 0.000 0.435 514 T N -3.985 110.403 114.554 -0.277 0.000 2.803 514 T HA -0.197 4.152 4.350 -0.001 0.000 0.269 514 T C 0.746 175.469 174.700 0.039 0.000 1.052 514 T CA 0.212 62.219 62.100 -0.156 0.000 1.136 514 T CB -0.785 67.952 68.868 -0.219 0.000 0.864 514 T HN 0.210 nan 8.240 nan 0.000 0.467 515 W N 2.196 123.482 121.300 -0.023 0.000 2.170 515 W HA 0.533 5.193 4.660 -0.001 0.000 0.342 515 W C 1.824 178.357 176.519 0.024 0.000 1.294 515 W CA -0.885 56.467 57.345 0.011 0.000 1.246 515 W CB -0.369 29.118 29.460 0.045 0.000 1.156 515 W HN 0.293 nan 8.180 nan 0.000 0.572 516 G N 2.450 111.417 108.800 0.279 0.000 2.491 516 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.218 516 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.218 516 G C 0.852 175.838 174.900 0.144 0.000 1.180 516 G CA 0.718 45.922 45.100 0.173 0.000 0.774 516 G HN 0.675 nan 8.290 nan 0.000 0.562 517 G N -0.461 108.424 108.800 0.142 0.000 2.432 517 G HA2 0.559 4.519 3.960 -0.001 0.000 0.239 517 G HA3 0.559 4.519 3.960 -0.001 0.000 0.239 517 G C 0.512 175.476 174.900 0.107 0.000 1.291 517 G CA 0.649 45.816 45.100 0.111 0.000 0.863 517 G HN 1.518 nan 8.290 nan 0.000 0.560 518 G N 0.938 109.787 108.800 0.082 0.000 2.788 518 G HA2 0.380 4.340 3.960 -0.001 0.000 0.686 518 G HA3 0.380 4.340 3.960 -0.001 0.000 0.686 518 G C -0.462 174.476 174.900 0.063 0.000 1.147 518 G CA 0.159 45.302 45.100 0.071 0.000 0.755 518 G HN 1.715 nan 8.290 nan 0.000 0.634 519 D N -1.238 119.195 120.400 0.056 0.000 10.628 519 D HA -0.141 4.498 4.640 -0.001 0.000 0.320 519 D C 1.355 177.686 176.300 0.052 0.000 3.082 519 D CA 1.011 55.042 54.000 0.053 0.000 2.740 519 D CB -0.519 40.312 40.800 0.052 0.000 1.188 519 D HN 0.844 nan 8.370 nan 0.000 0.922 520 L N 1.577 122.829 121.223 0.049 0.000 2.249 520 L HA 0.059 4.398 4.340 -0.001 0.000 0.207 520 L C 2.043 178.942 176.870 0.049 0.000 1.090 520 L CA 0.236 55.105 54.840 0.048 0.000 0.802 520 L CB -0.025 42.060 42.059 0.042 0.000 0.947 520 L HN 0.376 nan 8.230 nan 0.000 0.453 521 V N 0.198 120.140 119.914 0.047 0.000 3.620 521 V HA 0.198 4.317 4.120 -0.001 0.000 0.286 521 V C 0.995 177.113 176.094 0.040 0.000 1.288 521 V CA 0.129 62.455 62.300 0.044 0.000 1.178 521 V CB -0.722 31.129 31.823 0.046 0.000 0.986 521 V HN 0.273 nan 8.190 nan 0.000 0.431 522 A N 0.555 123.399 122.820 0.040 0.000 2.279 522 A HA 0.629 4.949 4.320 -0.001 0.000 0.306 522 A C -0.130 177.475 177.584 0.034 0.000 1.300 522 A CA -0.098 51.955 52.037 0.027 0.000 0.925 522 A CB 0.415 19.428 19.000 0.020 0.000 1.152 522 A HN 0.499 nan 8.150 nan 0.000 0.544 523 V N 1.580 121.507 119.914 0.021 0.000 3.349 523 V HA -0.148 3.971 4.120 -0.001 0.000 0.482 523 V C 1.395 177.507 176.094 0.031 0.000 0.682 523 V CA 0.509 62.819 62.300 0.018 0.000 2.026 523 V CB -0.753 31.075 31.823 0.008 0.000 2.475 523 V HN 1.524 nan 8.190 nan 0.000 0.501 524 G N 0.577 109.392 108.800 0.025 0.000 2.494 524 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.216 524 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.216 524 G C 0.910 175.833 174.900 0.039 0.000 1.140 524 G CA 1.003 46.120 45.100 0.029 0.000 0.801 524 G HN 0.733 nan 8.290 nan 0.000 0.536 525 N N 0.086 118.814 118.700 0.048 0.000 2.250 525 N HA 0.120 4.859 4.740 -0.001 0.000 0.181 525 N C 0.694 176.252 175.510 0.080 0.000 1.017 525 N CA 0.794 53.884 53.050 0.067 0.000 0.866 525 N CB 0.220 38.758 38.487 0.085 0.000 0.985 525 N HN 0.291 nan 8.380 nan 0.000 0.429 526 K N -1.154 119.304 120.400 0.096 0.000 2.533 526 K HA 0.395 4.714 4.320 -0.001 0.000 0.284 526 K C -1.380 175.315 176.600 0.159 0.000 1.025 526 K CA -0.695 55.689 56.287 0.161 0.000 0.900 526 K CB 2.669 35.317 32.500 0.246 0.000 1.519 526 K HN -0.355 nan 8.250 nan 0.000 0.432 527 V N 1.985 122.042 119.914 0.238 0.000 2.465 527 V HA 0.170 4.289 4.120 -0.001 0.000 0.279 527 V C 0.746 176.997 176.094 0.262 0.000 1.045 527 V CA 0.389 62.826 62.300 0.228 0.000 0.938 527 V CB 1.087 33.081 31.823 0.286 0.000 0.986 527 V HN 1.010 nan 8.190 nan 0.000 0.467 528 A N 5.726 128.630 122.820 0.139 0.000 1.878 528 A HA 0.358 4.678 4.320 -0.001 0.000 0.213 528 A C 0.590 178.288 177.584 0.191 0.000 1.192 528 A CA 0.871 52.992 52.037 0.140 0.000 0.619 528 A CB 0.129 19.148 19.000 0.033 0.000 0.837 528 A HN 0.578 nan 8.150 nan 0.000 0.446 529 L N 0.072 121.358 121.223 0.106 0.000 2.526 529 L HA 0.498 4.837 4.340 -0.001 0.000 0.263 529 L C -1.785 175.094 176.870 0.015 0.000 0.943 529 L CA -0.835 54.026 54.840 0.035 0.000 0.859 529 L CB 2.254 44.300 42.059 -0.021 0.000 1.313 529 L HN 0.498 nan 8.230 nan 0.000 0.406 530 L N 1.838 123.053 121.223 -0.012 0.000 2.600 530 L HA 0.737 5.077 4.340 -0.001 0.000 0.257 530 L C -2.506 174.352 176.870 -0.020 0.000 1.048 530 L CA -1.349 53.498 54.840 0.012 0.000 0.869 530 L CB 0.333 42.435 42.059 0.072 0.000 1.482 530 L HN 0.062 nan 8.230 nan 0.000 0.408 531 P HA -0.140 nan 4.420 nan 0.000 0.217 531 P C 1.239 178.520 177.300 -0.031 0.000 1.162 531 P CA 2.702 65.815 63.100 0.023 0.000 0.901 531 P CB 0.157 31.894 31.700 0.060 0.000 0.793 532 I N -5.331 115.183 120.570 -0.093 0.000 5.496 532 I HA -0.100 4.069 4.170 -0.001 0.000 0.126 532 I C -2.149 173.821 176.117 -0.244 0.000 1.813 532 I CA -0.287 60.901 61.300 -0.188 0.000 2.037 532 I CB -1.079 36.825 38.000 -0.161 0.000 3.350 532 I HN 0.047 nan 8.210 nan 0.000 0.169 533 P HA -0.007 nan 4.420 nan 0.000 0.261 533 P C 0.776 177.594 177.300 -0.804 0.000 1.173 533 P CA 0.426 63.300 63.100 -0.377 0.000 0.760 533 P CB 0.595 32.198 31.700 -0.162 0.000 0.783 534 L N 2.420 123.175 121.223 -0.780 0.000 2.130 534 L HA 0.340 4.679 4.340 -0.001 0.000 0.200 534 L C 1.481 177.959 176.870 -0.654 0.000 1.075 534 L CA 1.231 55.667 54.840 -0.673 0.000 0.768 534 L CB -1.961 39.913 42.059 -0.308 0.000 0.933 534 L HN 0.637 nan 8.230 nan 0.000 0.451 535 G N -0.153 108.418 108.800 -0.382 0.000 2.601 535 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.261 535 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.261 535 G C 0.081 175.067 174.900 0.144 0.000 1.289 535 G CA 0.232 45.492 45.100 0.267 0.000 0.920 535 G HN 0.661 nan 8.290 nan 0.000 0.571 536 T N -0.012 114.704 114.554 0.270 0.000 2.937 536 T HA 0.513 4.863 4.350 -0.001 0.000 0.316 536 T C 1.539 176.412 174.700 0.287 0.000 1.079 536 T CA 2.599 64.928 62.100 0.382 0.000 1.131 536 T CB -0.096 69.014 68.868 0.403 0.000 1.000 536 T HN 2.585 nan 8.240 nan 0.000 0.549 537 A N 3.032 126.046 122.820 0.324 0.000 3.201 537 A HA -0.131 4.188 4.320 -0.001 0.000 0.260 537 A C 1.160 178.965 177.584 0.369 0.000 1.222 537 A CA 1.308 53.562 52.037 0.362 0.000 1.124 537 A CB -2.042 17.166 19.000 0.347 0.000 1.155 537 A HN 0.862 nan 8.150 nan 0.000 0.924 538 D N -2.425 118.150 120.400 0.292 0.000 2.473 538 D HA 0.202 4.842 4.640 -0.001 0.000 0.242 538 D C 1.266 177.862 176.300 0.492 0.000 1.106 538 D CA 0.438 54.660 54.000 0.370 0.000 0.854 538 D CB 0.003 40.876 40.800 0.122 0.000 1.192 538 D HN 0.523 nan 8.370 nan 0.000 0.503 539 F N 1.614 121.675 119.950 0.184 0.000 2.095 539 F HA -0.252 4.274 4.527 -0.001 0.000 0.298 539 F C 1.969 177.926 175.800 0.262 0.000 1.104 539 F CA 1.285 59.381 58.000 0.160 0.000 1.232 539 F CB 0.362 39.441 39.000 0.133 0.000 0.987 539 F HN -0.012 nan 8.300 nan 0.000 0.475 540 L N -2.351 119.056 121.223 0.307 0.000 2.470 540 L HA 0.163 4.502 4.340 -0.001 0.000 0.219 540 L C 1.760 178.667 176.870 0.062 0.000 1.071 540 L CA 0.422 55.261 54.840 -0.002 0.000 0.850 540 L CB -1.370 40.436 42.059 -0.421 0.000 1.040 540 L HN -0.120 nan 8.230 nan 0.000 0.475 541 V N 0.725 120.756 119.914 0.194 0.000 2.231 541 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 541 V C 2.733 178.779 176.094 -0.081 0.000 1.054 541 V CA 2.367 64.688 62.300 0.035 0.000 1.015 541 V CB -1.144 30.745 31.823 0.111 0.000 0.638 541 V HN 0.595 nan 8.190 nan 0.000 0.444 542 H N -1.099 118.077 119.070 0.177 0.000 2.501 542 H HA -0.224 4.331 4.556 -0.001 0.000 0.296 542 H C 2.304 177.695 175.328 0.104 0.000 1.115 542 H CA 2.307 58.516 56.048 0.269 0.000 1.242 542 H CB -0.024 29.830 29.762 0.153 0.000 1.363 542 H HN 0.624 nan 8.280 nan 0.000 0.537 543 H N -1.450 117.737 119.070 0.196 0.000 2.516 543 H HA 0.000 4.556 4.556 -0.001 0.000 0.284 543 H C 2.127 177.501 175.328 0.076 0.000 0.999 543 H CA 0.287 56.405 56.048 0.115 0.000 1.303 543 H CB 0.328 30.090 29.762 0.001 0.000 1.452 543 H HN 0.104 nan 8.280 nan 0.000 0.530 544 I N 0.684 121.313 120.570 0.097 0.000 2.264 544 I HA -0.297 3.873 4.170 -0.001 0.000 0.248 544 I C 1.856 178.049 176.117 0.126 0.000 1.111 544 I CA 1.530 62.891 61.300 0.102 0.000 1.382 544 I CB -0.383 37.636 38.000 0.031 0.000 1.060 544 I HN 0.380 nan 8.210 nan 0.000 0.418 545 H N 0.681 119.784 119.070 0.055 0.000 2.319 545 H HA -0.181 4.375 4.556 -0.001 0.000 0.297 545 H C 2.215 177.523 175.328 -0.034 0.000 1.097 545 H CA 1.627 57.656 56.048 -0.032 0.000 1.285 545 H CB -0.952 28.738 29.762 -0.120 0.000 1.368 545 H HN 0.470 nan 8.280 nan 0.000 0.495 546 A N 1.462 124.382 122.820 0.167 0.000 1.842 546 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 546 A C 2.411 180.079 177.584 0.140 0.000 1.206 546 A CA 1.823 53.922 52.037 0.105 0.000 0.630 546 A CB -1.417 17.760 19.000 0.295 0.000 0.839 546 A HN 0.410 nan 8.150 nan 0.000 0.447 547 F N 2.118 122.171 119.950 0.172 0.000 2.154 547 F HA -0.255 4.272 4.527 -0.001 0.000 0.301 547 F C 2.511 178.354 175.800 0.072 0.000 1.087 547 F CA 2.741 60.825 58.000 0.139 0.000 1.274 547 F CB -0.721 38.344 39.000 0.107 0.000 1.009 547 F HN 0.356 nan 8.300 nan 0.000 0.485 548 T N -0.829 113.641 114.554 -0.141 0.000 2.812 548 T HA -0.138 4.212 4.350 -0.001 0.000 0.264 548 T C 2.096 176.673 174.700 -0.206 0.000 1.042 548 T CA 1.641 63.640 62.100 -0.168 0.000 1.140 548 T CB -1.078 67.863 68.868 0.122 0.000 0.870 548 T HN 0.454 nan 8.240 nan 0.000 0.445 549 I N 1.010 121.461 120.570 -0.197 0.000 2.361 549 I HA -0.162 4.008 4.170 -0.001 0.000 0.251 549 I C 2.567 178.488 176.117 -0.326 0.000 1.133 549 I CA 1.687 62.826 61.300 -0.268 0.000 1.413 549 I CB -0.590 37.214 38.000 -0.327 0.000 1.073 549 I HN 0.385 nan 8.210 nan 0.000 0.424 550 H N -0.010 118.949 119.070 -0.186 0.000 2.317 550 H HA -0.106 4.449 4.556 -0.001 0.000 0.304 550 H C 2.384 177.518 175.328 -0.324 0.000 1.067 550 H CA 1.580 57.511 56.048 -0.196 0.000 1.352 550 H CB -0.109 29.584 29.762 -0.115 0.000 1.398 550 H HN 0.201 nan 8.280 nan 0.000 0.510 551 V N 0.525 120.160 119.914 -0.465 0.000 2.515 551 V HA -0.113 4.006 4.120 -0.001 0.000 0.250 551 V C 0.669 176.324 176.094 -0.732 0.000 1.058 551 V CA 1.219 63.097 62.300 -0.703 0.000 1.064 551 V CB -0.652 30.458 31.823 -1.189 0.000 0.675 551 V HN 0.236 nan 8.190 nan 0.000 0.461 552 T N 0.843 115.004 114.554 -0.655 0.000 2.928 552 T HA 0.388 4.737 4.350 -0.001 0.000 0.305 552 T C 0.693 175.270 174.700 -0.205 0.000 1.035 552 T CA 0.911 62.824 62.100 -0.312 0.000 1.145 552 T CB 1.305 70.091 68.868 -0.137 0.000 0.963 552 T HN 0.845 nan 8.240 nan 0.000 0.545 553 V N 2.393 122.230 119.914 -0.127 0.000 0.415 553 V HA -0.242 3.878 4.120 -0.001 0.000 0.092 553 V C 1.677 177.740 176.094 -0.051 0.000 2.646 553 V CA 1.683 63.944 62.300 -0.063 0.000 3.766 553 V CB -1.560 30.241 31.823 -0.035 0.000 1.029 553 V HN 0.745 nan 8.190 nan 0.000 1.083 554 L N 1.045 122.211 121.223 -0.095 0.000 1.971 554 L HA -0.147 4.192 4.340 -0.001 0.000 0.215 554 L C 1.945 178.792 176.870 -0.039 0.000 1.072 554 L CA 3.278 58.074 54.840 -0.074 0.000 0.758 554 L CB -0.537 41.441 42.059 -0.136 0.000 0.889 554 L HN 0.589 nan 8.230 nan 0.000 0.433 555 I N -1.218 119.310 120.570 -0.069 0.000 2.315 555 I HA -0.264 3.906 4.170 -0.001 0.000 0.248 555 I C 2.207 178.394 176.117 0.117 0.000 1.117 555 I CA 1.035 62.342 61.300 0.012 0.000 1.404 555 I CB -0.252 37.715 38.000 -0.056 0.000 1.071 555 I HN 0.282 nan 8.210 nan 0.000 0.419 556 L N -0.286 120.968 121.223 0.051 0.000 2.095 556 L HA -0.115 4.224 4.340 -0.001 0.000 0.204 556 L C 2.316 179.225 176.870 0.065 0.000 1.080 556 L CA 1.182 56.063 54.840 0.068 0.000 0.759 556 L CB -0.579 41.495 42.059 0.026 0.000 0.914 556 L HN 0.189 nan 8.230 nan 0.000 0.439 557 L N 0.044 121.293 121.223 0.044 0.000 1.948 557 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 557 L C 2.800 179.718 176.870 0.079 0.000 1.074 557 L CA 1.558 56.427 54.840 0.048 0.000 0.753 557 L CB -0.414 41.663 42.059 0.030 0.000 0.888 557 L HN 0.238 nan 8.230 nan 0.000 0.432 558 K N 0.202 120.652 120.400 0.084 0.000 2.286 558 K HA -0.177 4.143 4.320 -0.001 0.000 0.203 558 K C 1.664 178.308 176.600 0.074 0.000 1.045 558 K CA 1.635 57.986 56.287 0.106 0.000 0.935 558 K CB -0.530 31.976 32.500 0.009 0.000 0.737 558 K HN 0.556 nan 8.250 nan 0.000 0.460 559 G N 0.995 109.817 108.800 0.037 0.000 2.404 559 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.214 559 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.214 559 G C 1.592 176.409 174.900 -0.138 0.000 1.189 559 G CA 1.103 46.021 45.100 -0.303 0.000 0.789 559 G HN 0.271 nan 8.290 nan 0.000 0.533 560 V N -1.221 118.714 119.914 0.034 0.000 2.719 560 V HA 0.182 4.301 4.120 -0.001 0.000 0.252 560 V C 2.456 178.618 176.094 0.114 0.000 1.065 560 V CA 0.915 63.273 62.300 0.096 0.000 1.086 560 V CB -0.327 31.556 31.823 0.100 0.000 0.700 560 V HN 0.278 nan 8.190 nan 0.000 0.467 561 L N -0.923 120.377 121.223 0.127 0.000 2.007 561 L HA 0.142 4.481 4.340 -0.001 0.000 0.205 561 L C 1.832 178.777 176.870 0.124 0.000 1.073 561 L CA 1.537 56.456 54.840 0.131 0.000 0.744 561 L CB -0.208 41.952 42.059 0.168 0.000 0.898 561 L HN 0.313 nan 8.230 nan 0.000 0.435 562 F N 0.021 119.973 119.950 0.002 0.000 2.798 562 F HA 0.037 4.564 4.527 -0.001 0.000 0.324 562 F C 1.626 177.437 175.800 0.017 0.000 1.210 562 F CA -0.044 57.965 58.000 0.014 0.000 1.379 562 F CB -0.189 38.815 39.000 0.007 0.000 1.368 562 F HN 0.080 nan 8.300 nan 0.000 0.565 563 A N 0.787 123.700 122.820 0.154 0.000 1.930 563 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 563 A C 2.320 180.002 177.584 0.162 0.000 1.176 563 A CA 1.107 53.242 52.037 0.164 0.000 0.632 563 A CB -0.056 19.054 19.000 0.185 0.000 0.819 563 A HN 0.533 nan 8.150 nan 0.000 0.445 564 R N -2.078 118.493 120.500 0.118 0.000 2.243 564 R HA 0.327 4.667 4.340 -0.001 0.000 0.193 564 R C -0.241 176.096 176.300 0.061 0.000 0.933 564 R CA 0.702 56.851 56.100 0.081 0.000 1.105 564 R CB 0.283 30.623 30.300 0.068 0.000 1.169 564 R HN 0.242 nan 8.270 nan 0.000 0.599 565 S N 0.353 116.082 115.700 0.049 0.000 2.540 565 S HA 0.501 4.971 4.470 -0.001 0.000 0.275 565 S C -1.296 173.333 174.600 0.049 0.000 1.123 565 S CA -0.741 57.488 58.200 0.049 0.000 0.907 565 S CB 2.357 65.569 63.200 0.019 0.000 1.081 565 S HN 0.250 nan 8.310 nan 0.000 0.476 566 S N 0.384 116.160 115.700 0.127 0.000 2.632 566 S HA 0.514 4.984 4.470 -0.001 0.000 0.289 566 S C 0.694 175.407 174.600 0.189 0.000 1.115 566 S CA -0.701 57.648 58.200 0.247 0.000 0.889 566 S CB 1.275 64.705 63.200 0.383 0.000 1.116 566 S HN 0.588 nan 8.310 nan 0.000 0.486 567 R N 1.048 121.697 120.500 0.248 0.000 2.096 567 R HA 0.065 4.405 4.340 -0.001 0.000 0.235 567 R C 1.875 178.253 176.300 0.129 0.000 1.127 567 R CA 1.134 57.334 56.100 0.167 0.000 0.968 567 R CB -1.061 29.349 30.300 0.184 0.000 0.861 567 R HN 0.694 nan 8.270 nan 0.000 0.440 568 L N 0.069 121.376 121.223 0.140 0.000 2.072 568 L HA -0.043 4.297 4.340 -0.001 0.000 0.205 568 L C 0.137 177.070 176.870 0.106 0.000 1.079 568 L CA 0.998 55.901 54.840 0.106 0.000 0.752 568 L CB 0.120 42.236 42.059 0.095 0.000 0.906 568 L HN 0.001 nan 8.230 nan 0.000 0.436 569 I N -1.521 119.129 120.570 0.133 0.000 2.466 569 I HA 0.226 4.396 4.170 -0.001 0.000 0.289 569 I C -1.940 174.243 176.117 0.110 0.000 1.026 569 I CA -1.603 59.769 61.300 0.120 0.000 1.078 569 I CB 1.694 39.782 38.000 0.146 0.000 1.249 569 I HN -0.224 nan 8.210 nan 0.000 0.429 570 P HA -0.066 nan 4.420 nan 0.000 0.219 570 P C 0.740 178.063 177.300 0.039 0.000 1.154 570 P CA 0.845 63.977 63.100 0.053 0.000 0.826 570 P CB 0.349 32.073 31.700 0.041 0.000 0.795 571 D N -0.449 119.974 120.400 0.039 0.000 2.325 571 D HA -0.045 4.594 4.640 -0.001 0.000 0.234 571 D C 1.559 177.863 176.300 0.006 0.000 1.122 571 D CA 0.193 54.203 54.000 0.018 0.000 0.850 571 D CB 0.058 40.870 40.800 0.020 0.000 0.921 571 D HN 0.112 nan 8.370 nan 0.000 0.513 572 K N 0.208 120.625 120.400 0.029 0.000 2.062 572 K HA -0.016 4.303 4.320 -0.001 0.000 0.205 572 K C 0.635 177.182 176.600 -0.089 0.000 1.051 572 K CA 0.568 56.879 56.287 0.039 0.000 0.941 572 K CB 0.162 32.743 32.500 0.135 0.000 0.719 572 K HN -0.036 nan 8.250 nan 0.000 0.440 573 A N 1.460 124.244 122.820 -0.060 0.000 2.252 573 A HA 0.312 4.631 4.320 -0.001 0.000 0.309 573 A C -0.531 176.981 177.584 -0.120 0.000 1.285 573 A CA -0.598 51.373 52.037 -0.111 0.000 0.900 573 A CB 0.253 19.228 19.000 -0.042 0.000 1.157 573 A HN 0.718 nan 8.150 nan 0.000 0.536 574 N N 1.917 120.510 118.700 -0.179 0.000 2.297 574 N HA -0.090 4.650 4.740 -0.001 0.000 0.311 574 N C 0.740 176.177 175.510 -0.122 0.000 0.755 574 N CA 0.849 53.822 53.050 -0.129 0.000 0.725 574 N CB -0.747 37.671 38.487 -0.115 0.000 2.195 574 N HN 0.527 nan 8.380 nan 0.000 1.138 575 L N -0.670 120.448 121.223 -0.176 0.000 2.127 575 L HA 0.597 4.937 4.340 -0.001 0.000 0.203 575 L C 0.913 177.708 176.870 -0.124 0.000 1.080 575 L CA 1.372 56.133 54.840 -0.132 0.000 0.768 575 L CB -0.802 41.193 42.059 -0.106 0.000 0.924 575 L HN 0.308 nan 8.230 nan 0.000 0.444 576 G N -1.365 107.282 108.800 -0.255 0.000 2.638 576 G HA2 0.391 4.351 3.960 -0.001 0.000 0.302 576 G HA3 0.391 4.351 3.960 -0.001 0.000 0.302 576 G C -0.339 174.586 174.900 0.041 0.000 1.365 576 G CA -0.199 44.819 45.100 -0.138 0.000 0.987 576 G HN 0.259 nan 8.290 nan 0.000 0.495 577 F N 1.611 121.596 119.950 0.058 0.000 2.512 577 F HA 0.190 4.716 4.527 -0.001 0.000 0.296 577 F C 2.220 178.238 175.800 0.362 0.000 1.110 577 F CA 0.186 58.311 58.000 0.208 0.000 1.446 577 F CB 0.346 39.458 39.000 0.185 0.000 1.092 577 F HN 0.401 nan 8.300 nan 0.000 0.554 578 R N 0.797 121.439 120.500 0.237 0.000 2.075 578 R HA -0.027 4.313 4.340 -0.001 0.000 0.226 578 R C 0.414 176.816 176.300 0.170 0.000 1.114 578 R CA 0.684 56.769 56.100 -0.026 0.000 0.972 578 R CB -0.672 29.542 30.300 -0.143 0.000 0.869 578 R HN 0.331 nan 8.270 nan 0.000 0.437 579 F N 1.966 121.850 119.950 -0.110 0.000 2.517 579 F HA -0.049 4.478 4.527 -0.001 0.000 0.398 579 F C -1.807 173.907 175.800 -0.143 0.000 1.005 579 F CA -2.544 55.387 58.000 -0.115 0.000 1.221 579 F CB -1.126 37.843 39.000 -0.051 0.000 0.936 579 F HN -0.082 nan 8.300 nan 0.000 0.557 580 P HA -0.250 nan 4.420 nan 0.000 0.214 580 P C 0.323 177.397 177.300 -0.377 0.000 1.099 580 P CA 3.116 66.047 63.100 -0.282 0.000 0.976 580 P CB -0.267 31.330 31.700 -0.171 0.000 0.774 581 C N -5.215 113.874 119.300 -0.353 0.000 3.292 581 C HA 0.367 4.826 4.460 -0.001 0.000 0.368 581 C C 1.328 176.197 174.990 -0.201 0.000 1.141 581 C CA -0.666 58.122 59.018 -0.383 0.000 1.194 581 C CB 0.654 28.257 27.740 -0.228 0.000 1.533 581 C HN 0.176 nan 8.230 nan 0.000 0.532 582 D N 1.184 121.506 120.400 -0.129 0.000 2.116 582 D HA 0.298 4.937 4.640 -0.001 0.000 0.193 582 D C 0.901 177.228 176.300 0.044 0.000 0.998 582 D CA 2.902 56.952 54.000 0.083 0.000 0.836 582 D CB -0.073 40.821 40.800 0.157 0.000 0.951 582 D HN 1.844 nan 8.370 nan 0.000 0.449 583 G N -1.845 106.957 108.800 0.004 0.000 2.343 583 G HA2 0.106 4.066 3.960 -0.001 0.000 0.298 583 G HA3 0.106 4.066 3.960 -0.001 0.000 0.298 583 G C -2.308 172.592 174.900 -0.000 0.000 1.644 583 G CA -0.378 44.725 45.100 0.005 0.000 0.958 583 G HN -0.213 nan 8.290 nan 0.000 0.702 584 P HA -0.116 nan 4.420 nan 0.000 0.219 584 P C 1.738 179.036 177.300 -0.002 0.000 1.147 584 P CA 1.970 65.066 63.100 -0.007 0.000 0.821 584 P CB 0.060 31.758 31.700 -0.004 0.000 0.771 585 G N -0.873 107.930 108.800 0.005 0.000 2.529 585 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.277 585 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.277 585 G C 0.324 175.230 174.900 0.010 0.000 1.383 585 G CA -0.065 45.040 45.100 0.009 0.000 1.050 585 G HN 0.077 nan 8.290 nan 0.000 0.526 586 R N -1.327 119.182 120.500 0.015 0.000 3.989 586 R HA -0.266 4.073 4.340 -0.001 0.000 0.335 586 R C 1.585 177.891 176.300 0.011 0.000 1.223 586 R CA 1.458 57.568 56.100 0.018 0.000 0.962 586 R CB -1.591 28.725 30.300 0.027 0.000 1.393 586 R HN 2.016 nan 8.270 nan 0.000 0.554 587 G N -2.652 106.151 108.800 0.005 0.000 5.005 587 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.251 587 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.251 587 G C 0.707 175.603 174.900 -0.006 0.000 1.536 587 G CA 0.260 45.359 45.100 -0.000 0.000 1.060 587 G HN 0.642 nan 8.290 nan 0.000 0.683 588 G N -1.644 107.151 108.800 -0.008 0.000 2.797 588 G HA2 0.415 4.375 3.960 -0.001 0.000 0.211 588 G HA3 0.415 4.375 3.960 -0.001 0.000 0.211 588 G C 1.029 175.914 174.900 -0.024 0.000 1.236 588 G CA 1.609 46.698 45.100 -0.019 0.000 0.833 588 G HN 1.797 nan 8.290 nan 0.000 0.624 589 T N -0.524 114.019 114.554 -0.019 0.000 4.146 589 T HA -0.246 4.104 4.350 -0.001 0.000 0.336 589 T C 1.174 175.837 174.700 -0.061 0.000 0.762 589 T CA 0.827 62.915 62.100 -0.020 0.000 1.914 589 T CB -2.245 66.622 68.868 -0.002 0.000 1.897 589 T HN 0.415 nan 8.240 nan 0.000 0.862 590 C N -0.447 118.806 119.300 -0.079 0.000 2.992 590 C HA 0.194 4.654 4.460 -0.001 0.000 0.277 590 C C 2.639 177.530 174.990 -0.165 0.000 1.564 590 C CA 1.006 59.953 59.018 -0.118 0.000 1.722 590 C CB -0.182 27.503 27.740 -0.093 0.000 1.895 590 C HN 0.680 nan 8.230 nan 0.000 0.701 591 Q N 1.001 120.722 119.800 -0.132 0.000 1.967 591 Q HA -0.052 4.287 4.340 -0.001 0.000 0.202 591 Q C 1.629 177.545 176.000 -0.141 0.000 0.985 591 Q CA 2.799 58.511 55.803 -0.153 0.000 0.839 591 Q CB -0.703 27.954 28.738 -0.135 0.000 0.906 591 Q HN 0.718 nan 8.270 nan 0.000 0.423 592 V N -2.107 117.774 119.914 -0.055 0.000 0.693 592 V HA -0.455 3.664 4.120 -0.001 0.000 0.092 592 V C 1.048 177.278 176.094 0.227 0.000 0.772 592 V CA 2.214 64.583 62.300 0.116 0.000 3.096 592 V CB -2.107 29.741 31.823 0.041 0.000 0.185 592 V HN 1.088 nan 8.190 nan 0.000 0.072 593 S N -0.936 114.845 115.700 0.135 0.000 3.736 593 S HA -0.008 4.462 4.470 -0.001 0.000 0.627 593 S C 1.036 175.774 174.600 0.231 0.000 2.426 593 S CA 3.071 61.409 58.200 0.230 0.000 4.022 593 S CB -1.694 61.457 63.200 -0.082 0.000 0.237 593 S HN 3.113 nan 8.310 nan 0.000 0.967 594 A N -2.608 120.325 122.820 0.189 0.000 2.390 594 A HA 0.249 4.569 4.320 -0.001 0.000 0.210 594 A C 0.655 178.212 177.584 -0.045 0.000 2.777 594 A CA 1.047 53.160 52.037 0.127 0.000 1.456 594 A CB -1.462 17.618 19.000 0.135 0.000 0.539 594 A HN 1.208 nan 8.150 nan 0.000 0.506 595 W N 2.075 122.963 121.300 -0.686 0.000 2.363 595 W HA -0.074 4.585 4.660 -0.001 0.000 0.296 595 W C 1.011 177.424 176.519 -0.176 0.000 1.212 595 W CA 2.513 59.419 57.345 -0.731 0.000 1.260 595 W CB 0.331 29.343 29.460 -0.747 0.000 1.131 595 W HN 0.352 nan 8.180 nan 0.000 0.530 596 D N -2.309 118.172 120.400 0.134 0.000 2.305 596 D HA -0.101 4.539 4.640 -0.001 0.000 0.206 596 D C 1.799 178.168 176.300 0.115 0.000 0.974 596 D CA 1.004 55.073 54.000 0.115 0.000 0.871 596 D CB -0.538 40.263 40.800 0.002 0.000 0.947 596 D HN 0.446 nan 8.370 nan 0.000 0.516 597 H N 0.028 119.113 119.070 0.025 0.000 2.470 597 H HA 0.067 4.622 4.556 -0.001 0.000 0.289 597 H C 1.091 176.415 175.328 -0.007 0.000 1.033 597 H CA 0.476 56.543 56.048 0.032 0.000 1.331 597 H CB 1.023 30.809 29.762 0.041 0.000 1.414 597 H HN -0.054 nan 8.280 nan 0.000 0.545 598 V N 1.215 121.162 119.914 0.055 0.000 3.189 598 V HA -0.025 4.095 4.120 -0.001 0.000 0.366 598 V C 0.473 176.399 176.094 -0.280 0.000 1.313 598 V CA 0.304 62.546 62.300 -0.098 0.000 1.302 598 V CB -0.761 31.015 31.823 -0.078 0.000 1.260 598 V HN 0.251 nan 8.190 nan 0.000 0.484 599 F N -0.396 119.323 119.950 -0.385 0.000 2.455 599 F HA 0.322 4.848 4.527 -0.001 0.000 0.278 599 F C 1.352 176.929 175.800 -0.371 0.000 0.887 599 F CA 0.640 58.323 58.000 -0.528 0.000 1.104 599 F CB 0.496 39.209 39.000 -0.479 0.000 0.949 599 F HN 0.013 nan 8.300 nan 0.000 0.750 600 L N 0.518 121.812 121.223 0.118 0.000 2.599 600 L HA 0.198 4.538 4.340 -0.001 0.000 0.230 600 L C 2.097 179.055 176.870 0.147 0.000 1.141 600 L CA 0.940 55.903 54.840 0.206 0.000 0.877 600 L CB -0.687 41.516 42.059 0.239 0.000 1.009 600 L HN 0.460 nan 8.230 nan 0.000 0.447 601 G N -0.555 108.250 108.800 0.008 0.000 2.608 601 G HA2 0.010 3.969 3.960 -0.001 0.000 0.210 601 G HA3 0.010 3.969 3.960 -0.001 0.000 0.210 601 G C 1.514 176.396 174.900 -0.031 0.000 1.139 601 G CA -0.146 44.965 45.100 0.018 0.000 0.812 601 G HN 0.097 nan 8.290 nan 0.000 0.529 602 L N -0.080 121.021 121.223 -0.204 0.000 1.961 602 L HA -0.033 4.306 4.340 -0.001 0.000 0.210 602 L C 2.596 179.382 176.870 -0.141 0.000 1.072 602 L CA 1.097 55.754 54.840 -0.305 0.000 0.749 602 L CB -0.578 41.147 42.059 -0.556 0.000 0.889 602 L HN 0.073 nan 8.230 nan 0.000 0.432 603 F N -0.586 119.243 119.950 -0.202 0.000 2.079 603 F HA -0.357 4.170 4.527 -0.001 0.000 0.296 603 F C 2.157 177.944 175.800 -0.021 0.000 1.084 603 F CA 1.707 59.599 58.000 -0.180 0.000 1.236 603 F CB -1.277 37.546 39.000 -0.295 0.000 0.984 603 F HN 0.137 nan 8.300 nan 0.000 0.488 604 W N 0.173 121.542 121.300 0.115 0.000 2.338 604 W HA -0.267 4.392 4.660 -0.001 0.000 0.325 604 W C 2.775 179.326 176.519 0.053 0.000 1.206 604 W CA 2.011 59.388 57.345 0.054 0.000 1.257 604 W CB -1.168 28.274 29.460 -0.029 0.000 1.184 604 W HN 0.155 nan 8.180 nan 0.000 0.456 605 M N -0.344 119.393 119.600 0.228 0.000 2.153 605 M HA -0.347 4.132 4.480 -0.001 0.000 0.253 605 M C 1.931 178.320 176.300 0.149 0.000 1.081 605 M CA 2.244 57.612 55.300 0.112 0.000 1.076 605 M CB -2.240 30.360 32.600 0.001 0.000 1.350 605 M HN 0.274 nan 8.290 nan 0.000 0.401 606 Y N 1.443 121.802 120.300 0.098 0.000 2.181 606 Y HA -0.318 4.231 4.550 -0.001 0.000 0.284 606 Y C 1.786 177.809 175.900 0.207 0.000 1.179 606 Y CA 2.431 60.669 58.100 0.230 0.000 1.179 606 Y CB -0.728 37.844 38.460 0.186 0.000 0.973 606 Y HN 0.482 nan 8.280 nan 0.000 0.519 607 N N -0.062 118.610 118.700 -0.047 0.000 2.109 607 N HA -0.148 4.591 4.740 -0.001 0.000 0.188 607 N C 2.008 177.417 175.510 -0.169 0.000 1.034 607 N CA 1.595 54.517 53.050 -0.213 0.000 0.846 607 N CB -0.766 37.614 38.487 -0.179 0.000 1.010 607 N HN 0.397 nan 8.380 nan 0.000 0.425 608 S N 1.757 117.438 115.700 -0.032 0.000 2.380 608 S HA -0.158 4.312 4.470 -0.001 0.000 0.229 608 S C 1.978 176.494 174.600 -0.140 0.000 1.050 608 S CA 1.241 59.423 58.200 -0.030 0.000 1.100 608 S CB -0.403 62.796 63.200 -0.001 0.000 0.984 608 S HN 0.246 nan 8.310 nan 0.000 0.434 609 I N 1.306 121.736 120.570 -0.233 0.000 2.233 609 I HA -0.037 4.133 4.170 -0.001 0.000 0.243 609 I C 2.609 178.323 176.117 -0.671 0.000 1.093 609 I CA 1.043 62.027 61.300 -0.527 0.000 1.380 609 I CB -1.764 35.763 38.000 -0.788 0.000 1.067 609 I HN 0.294 nan 8.210 nan 0.000 0.413 610 S N 0.306 115.642 115.700 -0.606 0.000 2.419 610 S HA -0.119 4.350 4.470 -0.001 0.000 0.235 610 S C 1.938 176.152 174.600 -0.644 0.000 1.019 610 S CA 1.134 58.965 58.200 -0.615 0.000 0.982 610 S CB -0.167 62.569 63.200 -0.772 0.000 0.789 610 S HN 0.299 nan 8.310 nan 0.000 0.490 611 V N 0.260 119.928 119.914 -0.410 0.000 3.590 611 V HA 0.169 4.288 4.120 -0.001 0.000 0.265 611 V C 1.769 177.876 176.094 0.022 0.000 1.239 611 V CA 0.592 62.752 62.300 -0.233 0.000 1.117 611 V CB 0.436 32.117 31.823 -0.238 0.000 0.818 611 V HN 0.376 nan 8.190 nan 0.000 0.451 612 V N -0.154 119.763 119.914 0.004 0.000 2.407 612 V HA -0.117 4.002 4.120 -0.001 0.000 0.245 612 V C 2.245 178.496 176.094 0.261 0.000 1.041 612 V CA 1.899 64.314 62.300 0.192 0.000 1.040 612 V CB -0.162 31.649 31.823 -0.020 0.000 0.671 612 V HN 0.464 nan 8.190 nan 0.000 0.455 613 I N -0.202 120.393 120.570 0.043 0.000 2.091 613 I HA -0.297 3.873 4.170 -0.001 0.000 0.239 613 I C 2.222 178.725 176.117 0.643 0.000 1.061 613 I CA 2.102 63.551 61.300 0.248 0.000 1.317 613 I CB -0.543 37.523 38.000 0.109 0.000 1.031 613 I HN 0.208 nan 8.210 nan 0.000 0.401 614 F N -0.763 119.379 119.950 0.320 0.000 2.236 614 F HA -0.338 4.189 4.527 -0.001 0.000 0.302 614 F C 2.612 178.699 175.800 0.479 0.000 1.073 614 F CA 1.200 59.380 58.000 0.298 0.000 1.336 614 F CB -0.345 38.758 39.000 0.170 0.000 1.040 614 F HN 0.337 nan 8.300 nan 0.000 0.507 615 H N -0.289 119.171 119.070 0.650 0.000 2.268 615 H HA -0.221 4.335 4.556 -0.001 0.000 0.304 615 H C 2.339 178.010 175.328 0.573 0.000 1.064 615 H CA 1.862 58.297 56.048 0.646 0.000 1.316 615 H CB -0.542 29.540 29.762 0.534 0.000 1.386 615 H HN 0.275 nan 8.280 nan 0.000 0.496 616 F N 2.153 122.320 119.950 0.363 0.000 2.065 616 F HA -0.275 4.251 4.527 -0.001 0.000 0.298 616 F C 2.856 178.800 175.800 0.240 0.000 1.112 616 F CA 2.374 60.501 58.000 0.211 0.000 1.212 616 F CB -0.623 38.668 39.000 0.484 0.000 0.975 616 F HN 0.247 nan 8.300 nan 0.000 0.476 617 S N -0.535 115.418 115.700 0.423 0.000 2.387 617 S HA -0.227 4.242 4.470 -0.001 0.000 0.226 617 S C 1.929 176.747 174.600 0.362 0.000 1.026 617 S CA 0.755 59.162 58.200 0.344 0.000 0.972 617 S CB -1.525 62.194 63.200 0.865 0.000 0.814 617 S HN 0.673 nan 8.310 nan 0.000 0.477 618 W N 2.979 124.426 121.300 0.243 0.000 2.363 618 W HA 0.133 4.793 4.660 -0.001 0.000 0.296 618 W C 2.004 178.650 176.519 0.213 0.000 1.212 618 W CA 0.759 58.215 57.345 0.184 0.000 1.260 618 W CB -0.471 28.830 29.460 -0.265 0.000 1.131 618 W HN 0.159 nan 8.180 nan 0.000 0.530 619 K N -0.152 120.391 120.400 0.239 0.000 1.967 619 K HA -0.191 4.129 4.320 -0.001 0.000 0.212 619 K C 1.912 178.332 176.600 -0.300 0.000 1.044 619 K CA 1.565 57.746 56.287 -0.177 0.000 0.942 619 K CB -1.282 30.963 32.500 -0.425 0.000 0.726 619 K HN 0.043 nan 8.250 nan 0.000 0.440 620 M N 1.686 120.944 119.600 -0.570 0.000 2.514 620 M HA -0.192 4.288 4.480 -0.001 0.000 0.259 620 M C 1.335 177.273 176.300 -0.603 0.000 1.073 620 M CA 1.608 56.331 55.300 -0.961 0.000 1.049 620 M CB -0.122 31.306 32.600 -1.954 0.000 1.392 620 M HN 0.208 nan 8.290 nan 0.000 0.466 621 Q N -3.066 116.652 119.800 -0.136 0.000 2.532 621 Q HA 0.098 4.437 4.340 -0.001 0.000 0.247 621 Q C 1.957 178.019 176.000 0.103 0.000 0.872 621 Q CA 0.777 56.658 55.803 0.131 0.000 0.963 621 Q CB -0.024 28.860 28.738 0.243 0.000 1.159 621 Q HN 0.516 nan 8.270 nan 0.000 0.598 622 S N 0.491 116.283 115.700 0.153 0.000 2.383 622 S HA -0.104 4.365 4.470 -0.001 0.000 0.229 622 S C 0.289 174.835 174.600 -0.090 0.000 1.030 622 S CA 1.235 59.532 58.200 0.163 0.000 1.002 622 S CB -0.057 63.327 63.200 0.307 0.000 0.829 622 S HN 0.240 nan 8.310 nan 0.000 0.467 623 D N -1.411 118.791 120.400 -0.330 0.000 2.531 623 D HA 0.531 5.170 4.640 -0.001 0.000 0.244 623 D C 0.704 176.586 176.300 -0.696 0.000 1.090 623 D CA -0.256 53.287 54.000 -0.761 0.000 0.989 623 D CB 1.824 42.291 40.800 -0.556 0.000 1.433 623 D HN 0.107 nan 8.370 nan 0.000 0.492 624 V N -1.559 117.904 119.914 -0.750 0.000 0.681 624 V HA -0.291 3.828 4.120 -0.001 0.000 0.092 624 V C -0.006 176.223 176.094 0.226 0.000 0.932 624 V CA 1.330 63.509 62.300 -0.202 0.000 3.129 624 V CB -1.305 30.283 31.823 -0.392 0.000 0.278 624 V HN 0.651 nan 8.190 nan 0.000 0.234 625 W N 2.691 124.085 121.300 0.158 0.000 2.295 625 W HA 0.490 5.149 4.660 -0.001 0.000 0.335 625 W C 0.754 177.394 176.519 0.202 0.000 1.351 625 W CA 1.036 58.544 57.345 0.272 0.000 1.273 625 W CB -0.816 28.725 29.460 0.136 0.000 1.214 625 W HN 0.843 nan 8.180 nan 0.000 0.563 626 G N 1.342 110.389 108.800 0.412 0.000 2.725 626 G HA2 0.694 4.653 3.960 -0.001 0.000 0.288 626 G HA3 0.694 4.653 3.960 -0.001 0.000 0.288 626 G C -1.189 173.799 174.900 0.145 0.000 1.399 626 G CA -0.766 44.520 45.100 0.310 0.000 0.859 626 G HN 0.385 nan 8.290 nan 0.000 0.479 627 T N -2.029 112.556 114.554 0.052 0.000 2.909 627 T HA 0.567 4.917 4.350 -0.001 0.000 0.299 627 T C -0.720 173.996 174.700 0.027 0.000 1.073 627 T CA -0.583 61.556 62.100 0.065 0.000 0.999 627 T CB 1.764 70.659 68.868 0.045 0.000 1.098 627 T HN 0.941 nan 8.240 nan 0.000 0.477 628 I N 2.784 123.383 120.570 0.049 0.000 2.575 628 I HA 0.675 4.845 4.170 -0.001 0.000 0.285 628 I C -0.156 175.976 176.117 0.025 0.000 1.085 628 I CA 0.313 61.631 61.300 0.031 0.000 1.403 628 I CB 0.605 38.630 38.000 0.041 0.000 1.409 628 I HN 0.970 nan 8.210 nan 0.000 0.557 629 N N 3.249 121.959 118.700 0.016 0.000 2.934 629 N HA 0.304 5.043 4.740 -0.001 0.000 0.253 629 N C -1.949 173.568 175.510 0.012 0.000 1.466 629 N CA -0.554 52.503 53.050 0.013 0.000 0.858 629 N CB 1.120 39.610 38.487 0.006 0.000 1.459 629 N HN 0.690 nan 8.380 nan 0.000 0.532 630 D N 0.230 120.637 120.400 0.011 0.000 2.472 630 D HA 0.058 4.698 4.640 -0.001 0.000 0.237 630 D C -0.132 176.174 176.300 0.011 0.000 1.141 630 D CA 0.431 54.438 54.000 0.012 0.000 0.875 630 D CB 0.371 41.177 40.800 0.010 0.000 1.192 630 D HN 0.589 nan 8.370 nan 0.000 0.450 631 Q N 1.563 121.371 119.800 0.013 0.000 2.457 631 Q HA -0.263 4.077 4.340 -0.001 0.000 0.283 631 Q C 0.821 176.828 176.000 0.011 0.000 1.234 631 Q CA 0.629 56.440 55.803 0.013 0.000 0.877 631 Q CB -1.833 26.912 28.738 0.011 0.000 1.250 631 Q HN 1.437 nan 8.270 nan 0.000 0.481 632 G N -0.606 108.201 108.800 0.012 0.000 2.390 632 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.299 632 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.299 632 G C -0.008 174.894 174.900 0.002 0.000 1.002 632 G CA 0.331 45.438 45.100 0.012 0.000 0.979 632 G HN 0.527 nan 8.290 nan 0.000 0.513 633 V N 0.422 120.333 119.914 -0.004 0.000 2.364 633 V HA 0.419 4.538 4.120 -0.001 0.000 0.272 633 V C 1.067 177.135 176.094 -0.043 0.000 1.036 633 V CA -0.627 61.663 62.300 -0.016 0.000 0.880 633 V CB 1.570 33.388 31.823 -0.009 0.000 0.991 633 V HN 0.371 nan 8.190 nan 0.000 0.460 634 V N 5.275 125.142 119.914 -0.079 0.000 2.740 634 V HA 0.227 4.346 4.120 -0.001 0.000 0.303 634 V C 0.702 176.663 176.094 -0.221 0.000 1.054 634 V CA 0.750 62.942 62.300 -0.179 0.000 1.106 634 V CB 1.628 33.297 31.823 -0.257 0.000 0.957 634 V HN 1.026 nan 8.190 nan 0.000 0.486 635 T N 6.050 120.467 114.554 -0.228 0.000 3.317 635 T HA 0.372 4.721 4.350 -0.001 0.000 0.361 635 T C -0.430 174.222 174.700 -0.081 0.000 1.499 635 T CA -0.224 61.800 62.100 -0.126 0.000 1.529 635 T CB -0.434 68.408 68.868 -0.043 0.000 0.997 635 T HN 0.885 nan 8.240 nan 0.000 0.624 636 H N 1.480 120.582 119.070 0.053 0.000 2.871 636 H HA 0.165 4.721 4.556 -0.001 0.000 0.355 636 H C 1.749 177.108 175.328 0.051 0.000 1.092 636 H CA -0.434 55.651 56.048 0.062 0.000 1.420 636 H CB 0.882 30.680 29.762 0.060 0.000 1.400 636 H HN 0.387 nan 8.280 nan 0.000 0.604 637 I N 0.833 121.518 120.570 0.193 0.000 2.194 637 I HA -0.183 3.987 4.170 -0.001 0.000 0.246 637 I C 1.056 177.223 176.117 0.083 0.000 1.093 637 I CA 1.267 62.615 61.300 0.081 0.000 1.355 637 I CB -0.616 37.416 38.000 0.053 0.000 1.046 637 I HN 0.597 nan 8.210 nan 0.000 0.413 638 T N -0.406 114.229 114.554 0.134 0.000 2.786 638 T HA 0.712 5.062 4.350 -0.001 0.000 0.283 638 T C -0.086 174.719 174.700 0.175 0.000 0.992 638 T CA -0.852 61.330 62.100 0.136 0.000 0.954 638 T CB 1.953 70.909 68.868 0.146 0.000 0.934 638 T HN 0.228 nan 8.240 nan 0.000 0.440 639 A N 2.889 125.795 122.820 0.142 0.000 2.580 639 A HA 0.481 4.800 4.320 -0.001 0.000 0.244 639 A C 1.356 179.035 177.584 0.159 0.000 1.045 639 A CA 0.051 52.178 52.037 0.149 0.000 0.761 639 A CB -0.727 18.334 19.000 0.101 0.000 0.962 639 A HN 1.586 nan 8.150 nan 0.000 0.512 640 G N 2.671 111.572 108.800 0.168 0.000 2.388 640 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.289 640 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.289 640 G C 0.740 175.734 174.900 0.156 0.000 0.791 640 G CA 0.536 45.720 45.100 0.139 0.000 1.619 640 G HN 1.056 nan 8.290 nan 0.000 0.375 641 N N 2.652 121.473 118.700 0.201 0.000 2.270 641 N HA -0.140 4.600 4.740 -0.001 0.000 0.181 641 N C 1.639 177.256 175.510 0.179 0.000 1.016 641 N CA 0.728 53.902 53.050 0.206 0.000 0.870 641 N CB -0.453 38.183 38.487 0.247 0.000 0.979 641 N HN 0.438 nan 8.380 nan 0.000 0.431 642 F N 1.477 121.387 119.950 -0.067 0.000 2.063 642 F HA -0.382 4.145 4.527 -0.001 0.000 0.296 642 F C 2.437 178.119 175.800 -0.197 0.000 1.093 642 F CA 2.287 60.049 58.000 -0.398 0.000 1.229 642 F CB -0.729 37.976 39.000 -0.492 0.000 0.971 642 F HN 0.232 nan 8.300 nan 0.000 0.491 643 A N -0.988 121.949 122.820 0.195 0.000 1.698 643 A HA -0.472 3.848 4.320 -0.001 0.000 0.315 643 A C 1.752 179.425 177.584 0.148 0.000 3.574 643 A CA 3.079 55.204 52.037 0.148 0.000 0.952 643 A CB -1.236 17.837 19.000 0.121 0.000 0.759 643 A HN 0.572 nan 8.150 nan 0.000 0.516 644 Q N -2.695 117.177 119.800 0.119 0.000 2.118 644 Q HA 0.412 4.752 4.340 -0.001 0.000 0.219 644 Q C 0.823 176.888 176.000 0.109 0.000 0.794 644 Q CA 0.984 56.859 55.803 0.119 0.000 1.035 644 Q CB 0.764 29.564 28.738 0.105 0.000 1.177 644 Q HN 0.582 nan 8.270 nan 0.000 0.478 645 S N -1.815 113.927 115.700 0.071 0.000 2.893 645 S HA 0.250 4.719 4.470 -0.001 0.000 0.258 645 S C 0.540 175.150 174.600 0.016 0.000 1.034 645 S CA 0.360 58.606 58.200 0.076 0.000 1.167 645 S CB 0.264 63.533 63.200 0.115 0.000 1.137 645 S HN 0.283 nan 8.310 nan 0.000 0.650 646 S N 1.436 116.998 115.700 -0.229 0.000 2.492 646 S HA 0.140 4.609 4.470 -0.001 0.000 0.218 646 S C 1.406 176.178 174.600 0.287 0.000 1.016 646 S CA 0.296 58.264 58.200 -0.387 0.000 0.916 646 S CB -0.306 62.171 63.200 -1.206 0.000 0.791 646 S HN 0.707 nan 8.310 nan 0.000 0.513 647 I N 0.245 120.978 120.570 0.271 0.000 3.241 647 I HA 0.129 4.298 4.170 -0.001 0.000 0.280 647 I C 1.581 177.960 176.117 0.436 0.000 1.320 647 I CA 0.904 62.453 61.300 0.416 0.000 1.413 647 I CB -0.608 37.554 38.000 0.271 0.000 1.060 647 I HN 0.070 nan 8.210 nan 0.000 0.500 648 T N -0.708 114.044 114.554 0.330 0.000 3.003 648 T HA 0.318 4.667 4.350 -0.001 0.000 0.261 648 T C 1.266 176.080 174.700 0.190 0.000 1.003 648 T CA 0.205 62.445 62.100 0.233 0.000 0.917 648 T CB -0.233 68.734 68.868 0.166 0.000 1.084 648 T HN 0.387 nan 8.240 nan 0.000 0.522 649 I N 1.486 122.178 120.570 0.203 0.000 3.659 649 I HA -0.366 3.804 4.170 -0.001 0.000 0.208 649 I C 1.001 177.200 176.117 0.136 0.000 0.806 649 I CA 1.338 62.664 61.300 0.044 0.000 1.314 649 I CB -0.363 37.510 38.000 -0.212 0.000 1.343 649 I HN 0.296 nan 8.210 nan 0.000 0.303 650 N N 0.415 119.210 118.700 0.158 0.000 2.482 650 N HA 0.100 4.840 4.740 -0.001 0.000 0.179 650 N C 1.632 177.227 175.510 0.142 0.000 1.039 650 N CA 1.398 54.518 53.050 0.117 0.000 0.884 650 N CB -0.255 38.272 38.487 0.067 0.000 1.113 650 N HN 0.395 nan 8.380 nan 0.000 0.440 651 G N -0.516 108.390 108.800 0.177 0.000 2.485 651 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.221 651 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.221 651 G C 1.086 176.065 174.900 0.131 0.000 1.115 651 G CA 0.475 45.681 45.100 0.177 0.000 0.751 651 G HN 0.388 nan 8.290 nan 0.000 0.567 652 W N 0.287 121.641 121.300 0.089 0.000 2.699 652 W HA 0.208 4.868 4.660 -0.001 0.000 0.249 652 W C 2.185 178.627 176.519 -0.129 0.000 1.280 652 W CA 0.840 58.164 57.345 -0.035 0.000 1.345 652 W CB 0.150 29.589 29.460 -0.035 0.000 1.128 652 W HN 0.332 nan 8.180 nan 0.000 0.642 653 L N -2.220 119.077 121.223 0.124 0.000 2.717 653 L HA 0.416 4.755 4.340 -0.001 0.000 0.239 653 L C 2.144 179.058 176.870 0.073 0.000 1.086 653 L CA 0.455 55.336 54.840 0.069 0.000 0.897 653 L CB -1.080 41.025 42.059 0.077 0.000 1.214 653 L HN -0.239 nan 8.230 nan 0.000 0.508 654 R N 1.136 121.670 120.500 0.056 0.000 2.082 654 R HA -0.112 4.228 4.340 -0.001 0.000 0.228 654 R C 1.512 177.834 176.300 0.036 0.000 1.140 654 R CA 2.515 58.665 56.100 0.082 0.000 0.920 654 R CB -1.469 28.866 30.300 0.058 0.000 0.828 654 R HN 0.430 nan 8.270 nan 0.000 0.430 655 D N -1.131 119.207 120.400 -0.104 0.000 2.234 655 D HA -0.030 4.609 4.640 -0.001 0.000 0.205 655 D C 0.903 176.817 176.300 -0.644 0.000 0.962 655 D CA 0.921 54.742 54.000 -0.297 0.000 0.855 655 D CB 0.013 40.709 40.800 -0.173 0.000 0.951 655 D HN 0.146 nan 8.370 nan 0.000 0.500 656 F N 0.153 119.564 119.950 -0.898 0.000 2.812 656 F HA 0.095 4.622 4.527 -0.001 0.000 0.156 656 F C 1.728 177.280 175.800 -0.415 0.000 1.267 656 F CA -0.491 57.009 58.000 -0.834 0.000 0.923 656 F CB -0.593 37.827 39.000 -0.966 0.000 2.108 656 F HN -0.346 nan 8.300 nan 0.000 0.583 657 L N -0.010 121.107 121.223 -0.175 0.000 2.373 657 L HA -0.346 3.994 4.340 -0.001 0.000 0.228 657 L C 1.878 178.637 176.870 -0.185 0.000 1.125 657 L CA 2.759 57.433 54.840 -0.276 0.000 0.855 657 L CB -1.269 40.722 42.059 -0.113 0.000 0.930 657 L HN 0.704 nan 8.230 nan 0.000 0.453 658 W N -1.265 119.904 121.300 -0.218 0.000 2.640 658 W HA 0.192 4.852 4.660 -0.001 0.000 0.268 658 W C 2.193 178.598 176.519 -0.191 0.000 1.263 658 W CA 1.159 58.398 57.345 -0.176 0.000 1.344 658 W CB -0.152 29.237 29.460 -0.118 0.000 1.093 658 W HN 0.161 nan 8.180 nan 0.000 0.603 659 A N 0.883 123.556 122.820 -0.245 0.000 1.824 659 A HA -0.091 4.229 4.320 -0.001 0.000 0.215 659 A C 1.171 178.491 177.584 -0.441 0.000 1.244 659 A CA 1.200 53.005 52.037 -0.385 0.000 0.604 659 A CB -1.398 17.441 19.000 -0.269 0.000 0.900 659 A HN 0.307 nan 8.150 nan 0.000 0.455 660 Q N -1.607 117.937 119.800 -0.427 0.000 2.352 660 Q HA 0.457 4.796 4.340 -0.001 0.000 0.260 660 Q C 0.238 176.117 176.000 -0.202 0.000 0.976 660 Q CA 0.529 56.129 55.803 -0.338 0.000 0.881 660 Q CB 1.106 29.562 28.738 -0.470 0.000 1.235 660 Q HN 1.543 nan 8.270 nan 0.000 0.419 661 A N 1.633 124.405 122.820 -0.081 0.000 3.511 661 A HA -0.215 4.104 4.320 -0.001 0.000 0.204 661 A C 1.611 179.014 177.584 -0.302 0.000 0.796 661 A CA 0.633 52.561 52.037 -0.181 0.000 2.125 661 A CB -2.121 16.624 19.000 -0.425 0.000 0.611 661 A HN 0.709 nan 8.150 nan 0.000 0.629 662 S N 0.512 115.996 115.700 -0.360 0.000 2.440 662 S HA -0.209 4.260 4.470 -0.001 0.000 0.238 662 S C 1.643 176.092 174.600 -0.251 0.000 1.010 662 S CA 1.457 59.438 58.200 -0.364 0.000 0.972 662 S CB -0.251 62.681 63.200 -0.448 0.000 0.774 662 S HN 0.685 nan 8.310 nan 0.000 0.501 663 Q N 0.709 120.385 119.800 -0.207 0.000 2.331 663 Q HA 0.059 4.399 4.340 -0.001 0.000 0.203 663 Q C 2.571 178.494 176.000 -0.129 0.000 0.944 663 Q CA 1.020 56.734 55.803 -0.148 0.000 0.892 663 Q CB -0.542 28.115 28.738 -0.135 0.000 0.983 663 Q HN 0.684 nan 8.270 nan 0.000 0.482 664 V N -0.653 119.150 119.914 -0.185 0.000 2.407 664 V HA -0.124 3.995 4.120 -0.001 0.000 0.245 664 V C 1.869 177.817 176.094 -0.243 0.000 1.041 664 V CA 1.330 63.476 62.300 -0.256 0.000 1.040 664 V CB -0.649 30.813 31.823 -0.601 0.000 0.671 664 V HN 0.276 nan 8.190 nan 0.000 0.455 665 I N -1.487 118.911 120.570 -0.287 0.000 3.684 665 I HA 0.295 4.465 4.170 -0.001 0.000 0.304 665 I C 1.828 177.839 176.117 -0.177 0.000 1.278 665 I CA 0.908 62.062 61.300 -0.243 0.000 1.272 665 I CB -0.571 37.280 38.000 -0.249 0.000 1.029 665 I HN 0.242 nan 8.210 nan 0.000 0.458 666 Q N 0.260 119.988 119.800 -0.120 0.000 2.281 666 Q HA 0.199 4.539 4.340 -0.001 0.000 0.215 666 Q C 2.038 178.053 176.000 0.025 0.000 0.867 666 Q CA 0.717 56.481 55.803 -0.066 0.000 0.940 666 Q CB 0.159 28.845 28.738 -0.086 0.000 1.111 666 Q HN 0.540 nan 8.270 nan 0.000 0.513 667 S N -0.778 114.972 115.700 0.082 0.000 2.603 667 S HA 0.020 4.490 4.470 -0.001 0.000 0.229 667 S C 0.103 174.830 174.600 0.212 0.000 0.972 667 S CA -0.207 58.071 58.200 0.130 0.000 0.935 667 S CB -0.138 63.134 63.200 0.121 0.000 0.769 667 S HN 0.321 nan 8.310 nan 0.000 0.536 668 Y N 0.784 121.077 120.300 -0.011 0.000 2.497 668 Y HA 0.374 4.924 4.550 -0.001 0.000 0.334 668 Y C 1.649 177.549 175.900 0.001 0.000 1.199 668 Y CA 0.463 58.564 58.100 0.002 0.000 1.425 668 Y CB 0.664 39.125 38.460 0.003 0.000 1.291 668 Y HN 0.282 nan 8.280 nan 0.000 0.562 669 G N 1.595 110.410 108.800 0.025 0.000 2.149 669 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.235 669 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.235 669 G C 0.288 175.190 174.900 0.004 0.000 1.018 669 G CA 0.408 45.518 45.100 0.017 0.000 0.728 669 G HN 0.639 nan 8.290 nan 0.000 0.508 670 S N -1.349 114.343 115.700 -0.013 0.000 3.169 670 S HA 0.720 5.189 4.470 -0.001 0.000 0.174 670 S C 1.524 176.115 174.600 -0.014 0.000 0.696 670 S CA 1.156 59.353 58.200 -0.005 0.000 0.819 670 S CB 0.811 64.016 63.200 0.008 0.000 0.867 670 S HN 1.245 nan 8.310 nan 0.000 0.680 671 S N -0.476 115.213 115.700 -0.019 0.000 3.327 671 S HA 0.067 4.537 4.470 -0.001 0.000 0.175 671 S C 1.218 175.805 174.600 -0.023 0.000 0.888 671 S CA 0.418 58.606 58.200 -0.019 0.000 1.332 671 S CB -1.416 61.776 63.200 -0.014 0.000 1.191 671 S HN 0.396 nan 8.310 nan 0.000 0.367 672 L N 0.687 121.913 121.223 0.004 0.000 2.102 672 L HA 0.414 4.754 4.340 -0.001 0.000 0.202 672 L C 2.021 178.878 176.870 -0.021 0.000 1.076 672 L CA 1.817 56.683 54.840 0.043 0.000 0.761 672 L CB -1.345 40.813 42.059 0.166 0.000 0.921 672 L HN 0.462 nan 8.230 nan 0.000 0.444 673 S N 0.878 116.578 115.700 -0.001 0.000 2.717 673 S HA -0.452 4.018 4.470 -0.001 0.000 0.351 673 S C 1.795 176.332 174.600 -0.105 0.000 1.580 673 S CA 2.189 60.343 58.200 -0.077 0.000 1.201 673 S CB -1.032 62.081 63.200 -0.146 0.000 0.932 673 S HN 0.856 nan 8.310 nan 0.000 0.523 674 A N -1.184 121.548 122.820 -0.146 0.000 2.172 674 A HA 0.161 4.480 4.320 -0.001 0.000 0.216 674 A C 1.600 179.123 177.584 -0.101 0.000 1.154 674 A CA 1.502 53.466 52.037 -0.121 0.000 0.701 674 A CB -0.595 18.254 19.000 -0.251 0.000 0.789 674 A HN 0.792 nan 8.150 nan 0.000 0.465 675 Y N -0.569 119.764 120.300 0.054 0.000 2.205 675 Y HA 0.131 4.681 4.550 -0.001 0.000 0.292 675 Y C 2.771 178.836 175.900 0.275 0.000 1.119 675 Y CA 0.617 58.762 58.100 0.074 0.000 1.117 675 Y CB -1.147 37.267 38.460 -0.078 0.000 1.037 675 Y HN 0.267 nan 8.280 nan 0.000 0.510 676 G N 0.155 109.165 108.800 0.350 0.000 2.469 676 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.219 676 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.219 676 G C 1.606 176.800 174.900 0.490 0.000 1.150 676 G CA 1.257 46.592 45.100 0.392 0.000 0.763 676 G HN 0.333 nan 8.290 nan 0.000 0.561 677 L N -1.154 120.222 121.223 0.256 0.000 2.395 677 L HA 0.358 4.697 4.340 -0.001 0.000 0.218 677 L C 2.145 179.169 176.870 0.255 0.000 1.130 677 L CA 0.859 55.799 54.840 0.167 0.000 0.826 677 L CB -0.281 41.724 42.059 -0.091 0.000 0.941 677 L HN 0.155 nan 8.230 nan 0.000 0.451 678 F N -1.303 118.778 119.950 0.218 0.000 2.104 678 F HA -0.042 4.484 4.527 -0.001 0.000 0.288 678 F C 2.156 178.172 175.800 0.360 0.000 1.107 678 F CA 1.568 59.729 58.000 0.268 0.000 1.208 678 F CB -0.948 38.257 39.000 0.342 0.000 1.033 678 F HN -0.007 nan 8.300 nan 0.000 0.478 679 F N 0.163 120.414 119.950 0.501 0.000 2.229 679 F HA -0.344 4.182 4.527 -0.001 0.000 0.297 679 F C 1.635 177.674 175.800 0.398 0.000 1.020 679 F CA 0.849 59.109 58.000 0.433 0.000 1.362 679 F CB -0.014 39.215 39.000 0.381 0.000 1.107 679 F HN -0.070 nan 8.300 nan 0.000 0.532 680 L N -0.961 120.562 121.223 0.500 0.000 2.185 680 L HA 0.221 4.560 4.340 -0.001 0.000 0.198 680 L C 1.914 178.964 176.870 0.299 0.000 1.079 680 L CA 1.329 56.378 54.840 0.348 0.000 0.780 680 L CB -1.870 40.358 42.059 0.281 0.000 0.955 680 L HN 0.039 nan 8.230 nan 0.000 0.462 681 G N -2.029 106.875 108.800 0.174 0.000 2.664 681 G HA2 0.284 4.244 3.960 -0.001 0.000 0.242 681 G HA3 0.284 4.244 3.960 -0.001 0.000 0.242 681 G C 0.988 175.993 174.900 0.176 0.000 1.225 681 G CA 0.689 45.813 45.100 0.040 0.000 0.849 681 G HN 0.592 nan 8.290 nan 0.000 0.581 682 A N -0.650 122.275 122.820 0.176 0.000 4.414 682 A HA -0.279 4.041 4.320 -0.001 0.000 0.259 682 A C 1.703 179.444 177.584 0.261 0.000 0.774 682 A CA 2.148 54.327 52.037 0.236 0.000 1.184 682 A CB -1.901 17.262 19.000 0.272 0.000 1.070 682 A HN 1.103 nan 8.150 nan 0.000 0.747 683 H N -1.943 117.224 119.070 0.162 0.000 2.529 683 H HA 0.455 5.011 4.556 -0.001 0.000 0.277 683 H C 0.995 176.480 175.328 0.261 0.000 1.004 683 H CA 0.552 56.654 56.048 0.089 0.000 1.167 683 H CB -0.165 29.567 29.762 -0.050 0.000 1.445 683 H HN 0.783 nan 8.280 nan 0.000 0.554 684 F N -1.214 118.893 119.950 0.261 0.000 2.549 684 F HA 0.046 4.572 4.527 -0.001 0.000 0.275 684 F C 1.517 177.447 175.800 0.216 0.000 0.990 684 F CA 0.202 58.325 58.000 0.204 0.000 1.274 684 F CB -0.135 38.940 39.000 0.123 0.000 1.064 684 F HN -0.128 nan 8.300 nan 0.000 0.715 685 V N 0.843 121.263 119.914 0.843 0.000 2.287 685 V HA -0.323 3.797 4.120 -0.001 0.000 0.248 685 V C 2.049 178.426 176.094 0.471 0.000 1.053 685 V CA 2.421 65.092 62.300 0.619 0.000 1.027 685 V CB -1.242 30.762 31.823 0.302 0.000 0.646 685 V HN 0.727 nan 8.190 nan 0.000 0.447 686 W N 1.383 122.776 121.300 0.155 0.000 2.289 686 W HA -0.283 4.376 4.660 -0.001 0.000 0.331 686 W C 1.926 178.417 176.519 -0.046 0.000 1.283 686 W CA 2.335 59.646 57.345 -0.058 0.000 1.252 686 W CB -0.453 28.880 29.460 -0.213 0.000 1.153 686 W HN 0.155 nan 8.180 nan 0.000 0.467 687 A N -0.378 122.576 122.820 0.224 0.000 2.900 687 A HA 0.189 4.509 4.320 -0.001 0.000 0.246 687 A C 0.285 177.801 177.584 -0.113 0.000 1.725 687 A CA 0.757 52.757 52.037 -0.062 0.000 1.400 687 A CB -1.539 17.572 19.000 0.185 0.000 0.973 687 A HN 0.639 nan 8.150 nan 0.000 0.635 688 F N -1.468 118.317 119.950 -0.275 0.000 2.828 688 F HA 0.046 4.572 4.527 -0.001 0.000 0.368 688 F C 1.779 177.437 175.800 -0.237 0.000 0.877 688 F CA 0.941 58.799 58.000 -0.237 0.000 1.071 688 F CB -0.075 38.897 39.000 -0.046 0.000 1.006 688 F HN 0.188 nan 8.300 nan 0.000 0.598 689 S N 2.314 117.922 115.700 -0.154 0.000 2.368 689 S HA -0.172 4.298 4.470 -0.001 0.000 0.225 689 S C 1.958 176.337 174.600 -0.369 0.000 1.030 689 S CA 1.805 59.916 58.200 -0.149 0.000 0.999 689 S CB -0.817 62.336 63.200 -0.077 0.000 0.844 689 S HN 0.448 nan 8.310 nan 0.000 0.459 690 L N 1.266 122.097 121.223 -0.653 0.000 2.081 690 L HA -0.192 4.148 4.340 -0.001 0.000 0.212 690 L C 2.714 179.162 176.870 -0.703 0.000 1.080 690 L CA 1.799 56.020 54.840 -1.032 0.000 0.754 690 L CB -0.760 40.508 42.059 -1.318 0.000 0.893 690 L HN 0.404 nan 8.230 nan 0.000 0.433 691 M N -0.658 118.593 119.600 -0.582 0.000 2.108 691 M HA -0.258 4.222 4.480 -0.001 0.000 0.261 691 M C 2.085 178.074 176.300 -0.518 0.000 1.066 691 M CA 2.055 57.037 55.300 -0.531 0.000 1.107 691 M CB -0.257 31.881 32.600 -0.769 0.000 1.356 691 M HN -0.003 nan 8.290 nan 0.000 0.406 692 F N 0.533 120.171 119.950 -0.520 0.000 2.206 692 F HA 0.018 4.545 4.527 -0.001 0.000 0.298 692 F C 1.885 177.590 175.800 -0.158 0.000 1.090 692 F CA 1.277 59.056 58.000 -0.369 0.000 1.323 692 F CB -0.491 38.291 39.000 -0.363 0.000 1.028 692 F HN 0.133 nan 8.300 nan 0.000 0.492 693 L N -1.993 119.260 121.223 0.050 0.000 2.109 693 L HA -0.143 4.197 4.340 -0.001 0.000 0.207 693 L C 1.827 178.877 176.870 0.300 0.000 1.086 693 L CA 1.159 56.091 54.840 0.153 0.000 0.760 693 L CB -0.540 41.505 42.059 -0.023 0.000 0.910 693 L HN 0.052 nan 8.230 nan 0.000 0.437 694 F N -1.282 118.633 119.950 -0.058 0.000 2.660 694 F HA 0.160 4.686 4.527 -0.001 0.000 0.302 694 F C 1.125 176.890 175.800 -0.059 0.000 1.103 694 F CA -0.622 57.335 58.000 -0.071 0.000 1.340 694 F CB 0.672 39.608 39.000 -0.107 0.000 1.048 694 F HN -0.012 nan 8.300 nan 0.000 0.551 695 S N -0.599 115.187 115.700 0.144 0.000 2.634 695 S HA 0.696 5.165 4.470 -0.001 0.000 0.296 695 S C 0.420 175.088 174.600 0.113 0.000 1.104 695 S CA -0.398 57.864 58.200 0.102 0.000 0.920 695 S CB 1.384 64.677 63.200 0.154 0.000 1.111 695 S HN 0.203 nan 8.310 nan 0.000 0.493 696 G N 1.354 110.226 108.800 0.120 0.000 2.441 696 G HA2 0.296 4.255 3.960 -0.001 0.000 0.258 696 G HA3 0.296 4.255 3.960 -0.001 0.000 0.258 696 G C 0.461 175.514 174.900 0.254 0.000 1.487 696 G CA 0.143 45.333 45.100 0.150 0.000 1.058 696 G HN 0.674 nan 8.290 nan 0.000 0.552 697 R N -2.624 118.032 120.500 0.261 0.000 3.353 697 R HA 0.041 4.381 4.340 -0.001 0.000 0.123 697 R C 2.043 178.483 176.300 0.233 0.000 0.773 697 R CA 0.743 56.994 56.100 0.252 0.000 1.642 697 R CB -0.593 29.778 30.300 0.118 0.000 1.666 697 R HN 0.576 nan 8.270 nan 0.000 0.485 698 G N 0.545 109.438 108.800 0.155 0.000 2.882 698 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.206 698 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.206 698 G C 0.882 175.834 174.900 0.087 0.000 1.155 698 G CA 0.393 45.555 45.100 0.104 0.000 0.800 698 G HN 0.386 nan 8.290 nan 0.000 0.524 699 Y N -0.137 120.188 120.300 0.042 0.000 2.138 699 Y HA -0.002 4.547 4.550 -0.001 0.000 0.286 699 Y C 2.226 178.026 175.900 -0.168 0.000 1.115 699 Y CA 1.235 59.268 58.100 -0.112 0.000 1.105 699 Y CB -0.151 38.187 38.460 -0.203 0.000 1.004 699 Y HN 0.211 nan 8.280 nan 0.000 0.494 700 W N 1.201 122.550 121.300 0.083 0.000 2.465 700 W HA -0.111 4.548 4.660 -0.001 0.000 0.268 700 W C 2.285 178.775 176.519 -0.050 0.000 1.242 700 W CA 0.807 58.150 57.345 -0.003 0.000 1.248 700 W CB -0.416 29.115 29.460 0.119 0.000 1.118 700 W HN 0.166 nan 8.180 nan 0.000 0.587 701 Q N 0.840 120.725 119.800 0.142 0.000 1.891 701 Q HA -0.218 4.121 4.340 -0.001 0.000 0.214 701 Q C 1.973 177.946 176.000 -0.046 0.000 0.995 701 Q CA 1.769 57.609 55.803 0.063 0.000 0.866 701 Q CB -1.176 27.599 28.738 0.062 0.000 0.931 701 Q HN 0.381 nan 8.270 nan 0.000 0.422 702 E N 0.239 120.364 120.200 -0.124 0.000 2.197 702 E HA -0.258 4.092 4.350 -0.001 0.000 0.205 702 E C 1.969 178.425 176.600 -0.239 0.000 1.029 702 E CA 1.407 57.697 56.400 -0.184 0.000 0.828 702 E CB -0.230 29.327 29.700 -0.239 0.000 0.737 702 E HN 0.121 nan 8.360 nan 0.000 0.464 703 L N 0.566 121.566 121.223 -0.373 0.000 2.044 703 L HA -0.061 4.279 4.340 -0.001 0.000 0.205 703 L C 2.135 178.964 176.870 -0.067 0.000 1.075 703 L CA 1.325 55.984 54.840 -0.303 0.000 0.747 703 L CB -0.241 41.523 42.059 -0.492 0.000 0.903 703 L HN 0.102 nan 8.230 nan 0.000 0.435 704 I N -0.363 120.215 120.570 0.014 0.000 2.657 704 I HA -0.260 3.909 4.170 -0.001 0.000 0.261 704 I C 2.241 178.431 176.117 0.121 0.000 1.212 704 I CA 1.254 62.622 61.300 0.112 0.000 1.453 704 I CB 0.078 38.162 38.000 0.139 0.000 1.092 704 I HN 0.496 nan 8.210 nan 0.000 0.452 705 E N 0.145 120.392 120.200 0.079 0.000 2.075 705 E HA -0.106 4.244 4.350 -0.001 0.000 0.190 705 E C 2.107 178.802 176.600 0.159 0.000 0.969 705 E CA 1.422 57.889 56.400 0.112 0.000 0.815 705 E CB -0.158 29.584 29.700 0.069 0.000 0.776 705 E HN 0.252 nan 8.360 nan 0.000 0.457 706 S N 1.433 117.184 115.700 0.084 0.000 2.368 706 S HA -0.213 4.257 4.470 -0.001 0.000 0.226 706 S C 1.900 176.625 174.600 0.209 0.000 1.044 706 S CA 1.594 59.850 58.200 0.092 0.000 1.062 706 S CB -0.531 62.662 63.200 -0.012 0.000 0.931 706 S HN 0.340 nan 8.310 nan 0.000 0.440 707 I N 1.186 121.856 120.570 0.166 0.000 2.053 707 I HA -0.195 3.975 4.170 -0.001 0.000 0.236 707 I C 2.308 178.668 176.117 0.405 0.000 1.038 707 I CA 1.451 62.868 61.300 0.196 0.000 1.304 707 I CB -1.665 36.513 38.000 0.298 0.000 1.023 707 I HN 0.174 nan 8.210 nan 0.000 0.395 708 V N 0.089 120.289 119.914 0.476 0.000 2.380 708 V HA -0.291 3.829 4.120 -0.001 0.000 0.251 708 V C 2.258 178.533 176.094 0.301 0.000 1.063 708 V CA 2.272 64.814 62.300 0.404 0.000 1.055 708 V CB -0.664 31.274 31.823 0.191 0.000 0.657 708 V HN 0.608 nan 8.190 nan 0.000 0.455 709 W N 0.829 122.191 121.300 0.103 0.000 2.309 709 W HA -0.247 4.412 4.660 -0.001 0.000 0.326 709 W C 2.530 179.066 176.519 0.028 0.000 1.222 709 W CA 2.539 59.913 57.345 0.049 0.000 1.237 709 W CB -0.823 28.644 29.460 0.013 0.000 1.180 709 W HN 0.171 nan 8.180 nan 0.000 0.456 710 A N 0.053 122.909 122.820 0.060 0.000 1.940 710 A HA -0.344 3.975 4.320 -0.001 0.000 0.221 710 A C 1.954 179.282 177.584 -0.428 0.000 1.190 710 A CA 2.258 54.072 52.037 -0.371 0.000 0.647 710 A CB -1.559 17.409 19.000 -0.053 0.000 0.821 710 A HN 0.663 nan 8.150 nan 0.000 0.457 711 H N -0.496 118.484 119.070 -0.149 0.000 2.289 711 H HA -0.156 4.399 4.556 -0.001 0.000 0.296 711 H C 2.078 177.298 175.328 -0.180 0.000 1.091 711 H CA 2.033 58.009 56.048 -0.119 0.000 1.274 711 H CB -0.579 29.158 29.762 -0.042 0.000 1.364 711 H HN 0.582 nan 8.280 nan 0.000 0.490 712 N N 0.657 119.302 118.700 -0.093 0.000 2.223 712 N HA -0.109 4.631 4.740 -0.001 0.000 0.185 712 N C 1.940 177.305 175.510 -0.241 0.000 1.016 712 N CA 0.653 53.613 53.050 -0.149 0.000 0.863 712 N CB 0.100 38.508 38.487 -0.131 0.000 0.983 712 N HN 0.151 nan 8.380 nan 0.000 0.429 713 K N 0.603 120.737 120.400 -0.443 0.000 2.009 713 K HA -0.057 4.262 4.320 -0.001 0.000 0.210 713 K C 1.655 178.123 176.600 -0.221 0.000 1.049 713 K CA 0.996 57.044 56.287 -0.398 0.000 0.929 713 K CB -0.522 31.615 32.500 -0.604 0.000 0.714 713 K HN 0.304 nan 8.250 nan 0.000 0.440 714 L N 1.340 122.447 121.223 -0.193 0.000 2.551 714 L HA -0.007 4.333 4.340 -0.001 0.000 0.228 714 L C -0.023 176.803 176.870 -0.074 0.000 1.153 714 L CA 0.264 55.038 54.840 -0.109 0.000 0.851 714 L CB -0.530 41.478 42.059 -0.086 0.000 0.959 714 L HN 0.165 nan 8.230 nan 0.000 0.451 715 K N 0.262 120.613 120.400 -0.080 0.000 4.854 715 K HA -0.125 4.195 4.320 -0.001 0.000 0.338 715 K C 0.147 176.732 176.600 -0.025 0.000 1.013 715 K CA 0.642 56.899 56.287 -0.049 0.000 1.072 715 K CB -1.771 30.706 32.500 -0.040 0.000 1.642 715 K HN 0.333 nan 8.250 nan 0.000 0.426 716 V N -3.713 116.198 119.914 -0.006 0.000 3.544 716 V HA 0.469 4.589 4.120 -0.001 0.000 0.298 716 V C 0.767 176.869 176.094 0.013 0.000 1.580 716 V CA 0.721 63.033 62.300 0.021 0.000 1.122 716 V CB 0.921 32.777 31.823 0.055 0.000 0.951 716 V HN 0.577 nan 8.190 nan 0.000 0.448 717 A N 0.696 123.510 122.820 -0.010 0.000 1.976 717 A HA 0.598 4.918 4.320 -0.001 0.000 0.199 717 A C 0.067 177.613 177.584 -0.064 0.000 2.152 717 A CA 1.049 53.036 52.037 -0.083 0.000 1.086 717 A CB -1.259 17.649 19.000 -0.152 0.000 1.181 717 A HN 0.410 nan 8.150 nan 0.000 0.642 718 P HA -0.249 nan 4.420 nan 0.000 0.224 718 P C 0.826 178.109 177.300 -0.028 0.000 1.130 718 P CA 2.057 65.141 63.100 -0.025 0.000 0.976 718 P CB -0.454 31.238 31.700 -0.014 0.000 0.781 719 A N -0.784 122.018 122.820 -0.030 0.000 2.591 719 A HA 0.151 4.470 4.320 -0.001 0.000 0.244 719 A C 0.652 178.217 177.584 -0.030 0.000 1.031 719 A CA 1.411 53.430 52.037 -0.029 0.000 0.767 719 A CB -1.143 17.839 19.000 -0.030 0.000 0.942 719 A HN 0.378 nan 8.150 nan 0.000 0.514 720 T N 2.361 116.898 114.554 -0.027 0.000 3.875 720 T HA -0.108 4.241 4.350 -0.001 0.000 0.381 720 T C -0.016 174.685 174.700 0.002 0.000 0.760 720 T CA 0.812 62.901 62.100 -0.018 0.000 2.040 720 T CB -1.501 67.354 68.868 -0.022 0.000 1.778 720 T HN 0.911 nan 8.240 nan 0.000 0.822 721 Q N 0.210 120.015 119.800 0.008 0.000 3.553 721 Q HA -0.075 4.264 4.340 -0.001 0.000 0.363 721 Q C -2.164 173.872 176.000 0.060 0.000 1.136 721 Q CA 0.111 55.932 55.803 0.030 0.000 1.269 721 Q CB -0.457 28.303 28.738 0.037 0.000 0.995 721 Q HN 0.430 nan 8.270 nan 0.000 0.442 722 P HA 0.080 nan 4.420 nan 0.000 0.262 722 P C -0.180 177.190 177.300 0.116 0.000 1.199 722 P CA 0.374 63.519 63.100 0.073 0.000 0.763 722 P CB 0.556 32.270 31.700 0.024 0.000 0.790 723 R N 2.500 123.101 120.500 0.168 0.000 2.795 723 R HA 0.762 5.101 4.340 -0.001 0.000 0.275 723 R C -0.379 176.042 176.300 0.201 0.000 0.981 723 R CA -0.806 55.399 56.100 0.175 0.000 0.917 723 R CB 1.508 31.919 30.300 0.185 0.000 1.202 723 R HN 0.449 nan 8.270 nan 0.000 0.469 724 A N 2.122 125.042 122.820 0.166 0.000 2.267 724 A HA 0.435 4.754 4.320 -0.001 0.000 0.271 724 A C -0.743 176.893 177.584 0.087 0.000 1.131 724 A CA -0.252 51.879 52.037 0.156 0.000 0.818 724 A CB 0.103 19.217 19.000 0.190 0.000 1.118 724 A HN 0.453 nan 8.150 nan 0.000 0.501 725 L N 0.240 121.470 121.223 0.011 0.000 2.371 725 L HA 0.225 4.564 4.340 -0.001 0.000 0.272 725 L C 0.823 177.635 176.870 -0.097 0.000 1.124 725 L CA 0.695 55.462 54.840 -0.121 0.000 0.816 725 L CB 1.270 43.196 42.059 -0.221 0.000 1.129 725 L HN 0.566 nan 8.230 nan 0.000 0.448 726 S N 4.671 120.277 115.700 -0.156 0.000 4.051 726 S HA 0.149 4.619 4.470 -0.001 0.000 0.215 726 S C 1.678 176.175 174.600 -0.172 0.000 1.289 726 S CA -0.413 57.702 58.200 -0.142 0.000 0.907 726 S CB -0.775 62.323 63.200 -0.169 0.000 1.603 726 S HN 0.534 nan 8.310 nan 0.000 0.453 727 I N 0.122 120.619 120.570 -0.121 0.000 4.528 727 I HA -0.429 3.740 4.170 -0.001 0.000 0.072 727 I C 1.889 177.885 176.117 -0.201 0.000 0.619 727 I CA 2.035 63.256 61.300 -0.131 0.000 0.801 727 I CB -1.627 36.293 38.000 -0.133 0.000 0.727 727 I HN 0.433 nan 8.210 nan 0.000 0.178 728 V N 0.320 120.046 119.914 -0.313 0.000 2.788 728 V HA -0.177 3.943 4.120 -0.001 0.000 0.251 728 V C 2.389 178.213 176.094 -0.449 0.000 1.068 728 V CA 1.973 63.968 62.300 -0.508 0.000 1.090 728 V CB -0.349 30.994 31.823 -0.800 0.000 0.710 728 V HN 0.499 nan 8.190 nan 0.000 0.467 729 Q N 0.694 120.288 119.800 -0.343 0.000 2.096 729 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 729 Q C 2.270 178.112 176.000 -0.263 0.000 0.982 729 Q CA 2.079 57.703 55.803 -0.299 0.000 0.850 729 Q CB -0.450 28.064 28.738 -0.375 0.000 0.901 729 Q HN 0.637 nan 8.270 nan 0.000 0.422 730 G N 0.783 109.456 108.800 -0.212 0.000 2.442 730 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.219 730 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.219 730 G C 1.421 176.318 174.900 -0.005 0.000 1.141 730 G CA 0.715 45.749 45.100 -0.110 0.000 0.763 730 G HN 0.303 nan 8.290 nan 0.000 0.554 731 R N 0.464 121.000 120.500 0.059 0.000 2.090 731 R HA 0.106 4.445 4.340 -0.001 0.000 0.228 731 R C 3.032 179.671 176.300 0.565 0.000 1.110 731 R CA 0.957 57.270 56.100 0.355 0.000 0.973 731 R CB -0.486 29.832 30.300 0.030 0.000 0.869 731 R HN 0.333 nan 8.270 nan 0.000 0.440 732 A N 1.065 124.142 122.820 0.428 0.000 1.948 732 A HA -0.116 4.203 4.320 -0.001 0.000 0.220 732 A C 2.110 179.733 177.584 0.065 0.000 1.177 732 A CA 1.467 53.710 52.037 0.344 0.000 0.636 732 A CB -0.335 18.800 19.000 0.225 0.000 0.815 732 A HN 0.133 nan 8.150 nan 0.000 0.449 733 V N -0.334 119.471 119.914 -0.182 0.000 3.646 733 V HA 0.133 4.252 4.120 -0.001 0.000 0.277 733 V C 1.759 177.724 176.094 -0.216 0.000 1.274 733 V CA 0.353 62.417 62.300 -0.393 0.000 1.164 733 V CB -0.912 30.148 31.823 -1.273 0.000 0.926 733 V HN 0.580 nan 8.190 nan 0.000 0.442 734 G N -0.253 108.575 108.800 0.046 0.000 2.873 734 G HA2 0.280 4.240 3.960 -0.001 0.000 0.170 734 G HA3 0.280 4.240 3.960 -0.001 0.000 0.170 734 G C 1.166 176.165 174.900 0.166 0.000 1.608 734 G CA 0.717 45.930 45.100 0.187 0.000 1.084 734 G HN 0.060 nan 8.290 nan 0.000 0.563 735 V N -0.489 119.508 119.914 0.138 0.000 0.643 735 V HA -0.391 3.728 4.120 -0.001 0.000 0.092 735 V C 2.727 178.762 176.094 -0.098 0.000 1.401 735 V CA 3.402 65.514 62.300 -0.312 0.000 3.251 735 V CB -1.784 29.503 31.823 -0.893 0.000 0.503 735 V HN 0.764 nan 8.190 nan 0.000 0.504 736 T N -1.546 112.972 114.554 -0.059 0.000 2.665 736 T HA -0.267 4.083 4.350 -0.001 0.000 0.268 736 T C 1.432 176.131 174.700 -0.002 0.000 1.035 736 T CA 2.502 64.583 62.100 -0.033 0.000 1.151 736 T CB -0.319 68.531 68.868 -0.030 0.000 0.862 736 T HN 0.770 nan 8.240 nan 0.000 0.438 737 H N -1.063 118.035 119.070 0.048 0.000 2.326 737 H HA 0.041 4.596 4.556 -0.001 0.000 0.301 737 H C 1.824 177.224 175.328 0.119 0.000 1.081 737 H CA 1.567 57.678 56.048 0.105 0.000 1.334 737 H CB -0.467 29.418 29.762 0.206 0.000 1.385 737 H HN 0.372 nan 8.280 nan 0.000 0.504 738 Y N 0.641 121.006 120.300 0.109 0.000 2.283 738 Y HA -0.273 4.276 4.550 -0.001 0.000 0.285 738 Y C 1.687 177.592 175.900 0.008 0.000 1.176 738 Y CA 1.336 59.442 58.100 0.010 0.000 1.229 738 Y CB -0.125 38.359 38.460 0.040 0.000 0.975 738 Y HN 0.113 nan 8.280 nan 0.000 0.537 739 L N -1.506 119.781 121.223 0.108 0.000 2.189 739 L HA -0.074 4.266 4.340 -0.001 0.000 0.199 739 L C 2.177 179.036 176.870 -0.019 0.000 1.074 739 L CA 0.649 55.479 54.840 -0.018 0.000 0.783 739 L CB -0.772 41.301 42.059 0.024 0.000 0.955 739 L HN 0.182 nan 8.230 nan 0.000 0.460 740 L N -1.116 120.089 121.223 -0.031 0.000 2.362 740 L HA 0.181 4.521 4.340 -0.001 0.000 0.219 740 L C 1.938 178.819 176.870 0.019 0.000 1.134 740 L CA 1.521 56.319 54.840 -0.069 0.000 0.807 740 L CB -1.675 40.300 42.059 -0.140 0.000 0.927 740 L HN 0.059 nan 8.230 nan 0.000 0.447 741 G N 0.560 109.417 108.800 0.094 0.000 2.688 741 G HA2 0.052 4.012 3.960 -0.001 0.000 0.211 741 G HA3 0.052 4.012 3.960 -0.001 0.000 0.211 741 G C 1.443 176.403 174.900 0.099 0.000 1.399 741 G CA 0.414 45.623 45.100 0.182 0.000 0.901 741 G HN 0.453 nan 8.290 nan 0.000 0.555 742 G N 0.429 109.267 108.800 0.064 0.000 2.657 742 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.224 742 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.224 742 G C 1.625 176.605 174.900 0.134 0.000 1.086 742 G CA 1.160 46.153 45.100 -0.180 0.000 0.730 742 G HN 0.452 nan 8.290 nan 0.000 0.602 743 I N 0.551 121.217 120.570 0.161 0.000 2.260 743 I HA 0.034 4.204 4.170 -0.001 0.000 0.237 743 I C 3.163 179.389 176.117 0.182 0.000 1.075 743 I CA 0.836 62.227 61.300 0.152 0.000 1.376 743 I CB -0.398 37.502 38.000 -0.167 0.000 1.107 743 I HN 0.166 nan 8.210 nan 0.000 0.420 744 A N 0.547 123.452 122.820 0.141 0.000 2.070 744 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 744 A C 2.273 180.107 177.584 0.415 0.000 1.159 744 A CA 2.059 54.285 52.037 0.315 0.000 0.656 744 A CB -1.115 18.026 19.000 0.236 0.000 0.800 744 A HN 0.437 nan 8.150 nan 0.000 0.453 745 T N 0.028 114.689 114.554 0.178 0.000 2.620 745 T HA -0.212 4.138 4.350 -0.001 0.000 0.267 745 T C 1.938 176.723 174.700 0.140 0.000 1.044 745 T CA 2.366 64.420 62.100 -0.076 0.000 1.161 745 T CB -0.590 68.028 68.868 -0.417 0.000 0.862 745 T HN 0.578 nan 8.240 nan 0.000 0.438 746 T N -0.249 114.508 114.554 0.338 0.000 2.937 746 T HA -0.034 4.316 4.350 -0.001 0.000 0.260 746 T C 1.403 176.467 174.700 0.606 0.000 1.051 746 T CA 0.826 63.277 62.100 0.585 0.000 1.141 746 T CB -0.429 68.836 68.868 0.661 0.000 0.879 746 T HN 0.595 nan 8.240 nan 0.000 0.459 747 W N 2.546 124.067 121.300 0.368 0.000 2.296 747 W HA -0.238 4.421 4.660 -0.001 0.000 0.296 747 W C 2.226 178.868 176.519 0.205 0.000 1.220 747 W CA 1.288 58.796 57.345 0.273 0.000 1.223 747 W CB -0.414 29.159 29.460 0.188 0.000 1.139 747 W HN 0.258 nan 8.180 nan 0.000 0.534 748 A N -0.298 122.722 122.820 0.334 0.000 1.844 748 A HA -0.067 4.252 4.320 -0.001 0.000 0.212 748 A C 1.904 179.673 177.584 0.308 0.000 1.221 748 A CA 1.152 53.345 52.037 0.260 0.000 0.607 748 A CB -1.639 17.757 19.000 0.661 0.000 0.878 748 A HN 0.381 nan 8.150 nan 0.000 0.451 749 F N 0.470 120.704 119.950 0.475 0.000 2.063 749 F HA -0.265 4.262 4.527 -0.001 0.000 0.297 749 F C 1.705 177.536 175.800 0.052 0.000 1.099 749 F CA 1.421 59.632 58.000 0.350 0.000 1.220 749 F CB -1.092 38.171 39.000 0.440 0.000 0.972 749 F HN 0.204 nan 8.300 nan 0.000 0.487 750 F N 0.738 120.544 119.950 -0.241 0.000 2.001 750 F HA -0.130 4.397 4.527 -0.001 0.000 0.301 750 F C 1.231 176.789 175.800 -0.403 0.000 1.293 750 F CA 1.456 59.235 58.000 -0.367 0.000 1.196 750 F CB -1.297 37.620 39.000 -0.139 0.000 0.944 750 F HN -0.227 nan 8.300 nan 0.000 0.525 751 L N 0.839 121.873 121.223 -0.315 0.000 2.843 751 L HA 0.115 4.454 4.340 -0.001 0.000 0.296 751 L C 0.448 176.906 176.870 -0.687 0.000 1.228 751 L CA 0.688 55.133 54.840 -0.657 0.000 1.188 751 L CB -1.373 39.993 42.059 -1.155 0.000 1.475 751 L HN 0.532 nan 8.230 nan 0.000 0.433 752 A N 2.673 125.311 122.820 -0.303 0.000 2.426 752 A HA 0.026 4.346 4.320 -0.001 0.000 0.220 752 A C 0.812 178.305 177.584 -0.150 0.000 2.885 752 A CA -0.299 51.638 52.037 -0.168 0.000 1.566 752 A CB -0.218 18.713 19.000 -0.116 0.000 0.158 752 A HN 0.546 nan 8.150 nan 0.000 0.546 753 R N 0.137 120.531 120.500 -0.176 0.000 2.583 753 R HA 0.571 4.910 4.340 -0.001 0.000 0.329 753 R C 0.056 176.293 176.300 -0.105 0.000 1.166 753 R CA 0.786 56.779 56.100 -0.177 0.000 1.264 753 R CB -0.391 29.731 30.300 -0.297 0.000 1.324 753 R HN 0.602 nan 8.270 nan 0.000 0.684 754 I N -2.778 117.742 120.570 -0.083 0.000 4.886 754 I HA 0.281 4.450 4.170 -0.001 0.000 0.312 754 I C 0.087 176.155 176.117 -0.081 0.000 1.161 754 I CA -0.095 61.160 61.300 -0.073 0.000 1.393 754 I CB -0.037 37.950 38.000 -0.022 0.000 1.647 754 I HN -0.124 nan 8.210 nan 0.000 0.496 755 I N 3.908 124.429 120.570 -0.081 0.000 2.662 755 I HA 0.389 4.559 4.170 -0.001 0.000 0.285 755 I C 0.605 176.683 176.117 -0.066 0.000 1.161 755 I CA 0.218 61.478 61.300 -0.066 0.000 1.415 755 I CB -0.477 37.483 38.000 -0.067 0.000 1.385 755 I HN 0.426 nan 8.210 nan 0.000 0.552 756 A N 3.840 126.628 122.820 -0.054 0.000 2.425 756 A HA -0.009 4.311 4.320 -0.001 0.000 0.682 756 A C 0.078 177.618 177.584 -0.074 0.000 0.148 756 A CA -0.369 51.635 52.037 -0.056 0.000 0.059 756 A CB -1.352 17.615 19.000 -0.055 0.000 3.953 756 A HN 1.135 nan 8.150 nan 0.000 0.545 757 V N 0.504 120.376 119.914 -0.069 0.000 4.591 757 V HA 0.194 4.314 4.120 -0.001 0.000 0.449 757 V C 1.945 177.965 176.094 -0.123 0.000 0.685 757 V CA 2.321 64.571 62.300 -0.084 0.000 1.751 757 V CB -1.690 30.088 31.823 -0.074 0.000 2.089 757 V HN 3.157 nan 8.190 nan 0.000 0.491 758 G N 0.000 108.693 108.800 -0.179 0.000 5.446 758 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 758 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 758 G CA 0.000 44.911 45.100 -0.315 0.000 0.502 758 G HN 0.000 nan 8.290 nan 0.000 0.925