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 2qjp_1_D DATA FIRST_RESID 3 DATA SEQUENCE GIPHDHYEPR TGIEKWLHSR LPIVALAYDT IMIPTPRNLN WMWIWGVVLA DATA SEQUENCE FCLVLQIVTG IVLAMHYTPH VDLAFASVEH IMRNVNGGFM LRYLHANGAS DATA SEQUENCE LFFIAVYLHI FRGLYYGSYK APREVTWIVG MLIYLAMMAT AFMGYVLPWG DATA SEQUENCE QMSFWGATVI TGLFGAIPGI GHSIQTWLLG GPAVDNATLN RFFSLHYLLP DATA SEQUENCE FVIAALVAIH IWAFHSTGNN NPTGVEVRRT SKAEAQKDTV PFWPYFIIKD DATA SEQUENCE VFALAVVLLV FFAIVGFMPN YLGHPDNYIE ANPLSTPAHI VPEWYFLPFY DATA SEQUENCE AILRAFTADV WVVQIANFIS FGIIDAKFFG VLAMFGAILV MALVPWLDTS DATA SEQUENCE PVRSGRYRPM FKIYFWLLAA DFVILTWVGA QQTTFPYDWI SLIASAYWFA DATA SEQUENCE YFLVILPILG AIEKPVAPPA TIEEDFNA 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 3 G C 0.000 174.911 174.900 0.018 0.000 0.946 3 G CA 0.000 45.126 45.100 0.043 0.000 0.502 4 I N 1.447 122.045 120.570 0.046 0.000 2.938 4 I HA 0.343 4.513 4.170 -0.001 0.000 0.285 4 I C -2.182 173.922 176.117 -0.021 0.000 1.182 4 I CA -2.212 59.114 61.300 0.043 0.000 1.388 4 I CB 0.087 38.146 38.000 0.098 0.000 1.390 4 I HN -0.169 nan 8.210 nan 0.000 0.600 5 P HA 0.292 nan 4.420 nan 0.000 0.286 5 P C -1.298 176.023 177.300 0.034 0.000 1.321 5 P CA 0.056 63.129 63.100 -0.045 0.000 0.790 5 P CB 0.412 32.109 31.700 -0.005 0.000 0.897 6 H N -0.101 119.013 119.070 0.073 0.000 3.448 6 H HA 0.699 5.255 4.556 -0.001 0.000 0.311 6 H C -1.385 174.021 175.328 0.130 0.000 1.666 6 H CA -1.103 55.003 56.048 0.098 0.000 1.221 6 H CB 0.197 30.021 29.762 0.104 0.000 1.749 6 H HN 0.034 nan 8.280 nan 0.000 0.659 7 D N -0.505 120.255 120.400 0.601 0.000 2.502 7 D HA 0.254 4.894 4.640 -0.001 0.000 0.249 7 D C -0.413 176.265 176.300 0.631 0.000 1.092 7 D CA -0.619 53.678 54.000 0.495 0.000 0.839 7 D CB 1.131 42.108 40.800 0.294 0.000 1.264 7 D HN 0.786 nan 8.370 nan 0.000 0.511 8 H N -0.491 118.832 119.070 0.422 0.000 2.509 8 H HA 0.346 4.902 4.556 -0.001 0.000 0.360 8 H C -0.427 175.043 175.328 0.237 0.000 1.398 8 H CA -1.122 55.192 56.048 0.443 0.000 1.429 8 H CB 0.403 30.382 29.762 0.361 0.000 1.611 8 H HN 0.443 nan 8.280 nan 0.000 0.606 9 Y N 0.665 120.771 120.300 -0.323 0.000 2.620 9 Y HA 0.071 4.621 4.550 -0.001 0.000 0.330 9 Y C -0.488 174.941 175.900 -0.786 0.000 1.186 9 Y CA -0.001 57.504 58.100 -0.992 0.000 1.467 9 Y CB 0.501 38.522 38.460 -0.731 0.000 1.262 9 Y HN 0.735 nan 8.280 nan 0.000 0.550 10 E N 8.204 127.728 120.200 -1.126 0.000 2.182 10 E HA 0.414 4.764 4.350 -0.001 0.000 0.258 10 E C -2.812 173.189 176.600 -0.998 0.000 0.879 10 E CA -2.771 53.137 56.400 -0.819 0.000 0.754 10 E CB 1.193 30.596 29.700 -0.493 0.000 1.162 10 E HN 0.371 nan 8.360 nan 0.000 0.419 11 P HA 0.088 nan 4.420 nan 0.000 0.266 11 P C -0.093 177.034 177.300 -0.289 0.000 1.215 11 P CA -0.085 62.751 63.100 -0.440 0.000 0.763 11 P CB 0.883 32.431 31.700 -0.253 0.000 0.806 12 R N 1.053 121.417 120.500 -0.226 0.000 2.191 12 R HA 0.164 4.504 4.340 -0.001 0.000 0.187 12 R C 0.796 177.060 176.300 -0.060 0.000 1.078 12 R CA 0.650 56.667 56.100 -0.140 0.000 1.139 12 R CB -1.171 29.039 30.300 -0.149 0.000 1.120 12 R HN 0.327 nan 8.270 nan 0.000 0.536 13 T N 0.272 114.808 114.554 -0.031 0.000 2.595 13 T HA 0.055 4.405 4.350 -0.001 0.000 0.339 13 T C 1.523 176.240 174.700 0.030 0.000 1.059 13 T CA 0.786 62.890 62.100 0.007 0.000 1.035 13 T CB 0.361 69.247 68.868 0.031 0.000 1.003 13 T HN 0.421 nan 8.240 nan 0.000 0.540 14 G N -0.485 108.336 108.800 0.035 0.000 2.417 14 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.212 14 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.212 14 G C 1.531 176.489 174.900 0.097 0.000 1.187 14 G CA 0.156 45.286 45.100 0.050 0.000 0.804 14 G HN 0.692 nan 8.290 nan 0.000 0.534 15 I N 0.734 121.351 120.570 0.078 0.000 2.163 15 I HA -0.174 3.996 4.170 -0.001 0.000 0.243 15 I C 2.678 178.934 176.117 0.232 0.000 1.085 15 I CA 1.281 62.656 61.300 0.124 0.000 1.347 15 I CB -0.387 37.654 38.000 0.070 0.000 1.044 15 I HN 0.220 nan 8.210 nan 0.000 0.408 16 E N 1.113 121.416 120.200 0.171 0.000 2.130 16 E HA -0.256 4.093 4.350 -0.001 0.000 0.196 16 E C 2.141 178.875 176.600 0.223 0.000 0.998 16 E CA 1.363 57.883 56.400 0.200 0.000 0.806 16 E CB -0.028 29.765 29.700 0.155 0.000 0.738 16 E HN 0.502 nan 8.360 nan 0.000 0.459 17 K N -0.560 119.946 120.400 0.177 0.000 2.167 17 K HA -0.136 4.184 4.320 -0.001 0.000 0.203 17 K C 1.749 178.476 176.600 0.213 0.000 1.052 17 K CA 0.868 57.250 56.287 0.158 0.000 0.956 17 K CB -0.131 32.428 32.500 0.098 0.000 0.735 17 K HN 0.215 nan 8.250 nan 0.000 0.451 18 W N 1.699 123.037 121.300 0.063 0.000 2.378 18 W HA -0.169 4.490 4.660 -0.001 0.000 0.313 18 W C 1.801 178.354 176.519 0.056 0.000 1.197 18 W CA 0.831 58.205 57.345 0.049 0.000 1.304 18 W CB -0.415 29.064 29.460 0.031 0.000 1.148 18 W HN -0.053 nan 8.180 nan 0.000 0.494 19 L N 0.564 121.961 121.223 0.289 0.000 2.012 19 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 19 L C 2.828 179.657 176.870 -0.068 0.000 1.073 19 L CA 2.663 57.536 54.840 0.055 0.000 0.748 19 L CB -1.660 40.540 42.059 0.236 0.000 0.891 19 L HN 0.258 nan 8.230 nan 0.000 0.431 20 H N -0.681 118.374 119.070 -0.024 0.000 2.390 20 H HA -0.133 4.422 4.556 -0.001 0.000 0.298 20 H C 2.080 177.358 175.328 -0.083 0.000 1.106 20 H CA 1.741 57.765 56.048 -0.040 0.000 1.297 20 H CB 0.082 29.884 29.762 0.067 0.000 1.375 20 H HN 0.598 nan 8.280 nan 0.000 0.509 21 S N -0.285 115.400 115.700 -0.026 0.000 2.561 21 S HA 0.027 4.497 4.470 -0.001 0.000 0.225 21 S C 1.948 176.417 174.600 -0.218 0.000 0.977 21 S CA 0.292 58.439 58.200 -0.089 0.000 0.926 21 S CB 0.118 63.289 63.200 -0.049 0.000 0.769 21 S HN 0.415 nan 8.310 nan 0.000 0.533 22 R N -0.614 119.700 120.500 -0.310 0.000 2.140 22 R HA 0.472 4.812 4.340 -0.001 0.000 0.200 22 R C -0.591 175.555 176.300 -0.257 0.000 1.069 22 R CA 0.153 56.057 56.100 -0.327 0.000 1.088 22 R CB 0.128 30.120 30.300 -0.512 0.000 1.012 22 R HN 0.339 nan 8.270 nan 0.000 0.500 23 L N 2.389 123.457 121.223 -0.257 0.000 2.573 23 L HA 0.348 4.688 4.340 -0.001 0.000 0.260 23 L C -2.580 174.147 176.870 -0.238 0.000 0.997 23 L CA -1.942 52.773 54.840 -0.208 0.000 0.890 23 L CB 2.000 43.968 42.059 -0.152 0.000 1.179 23 L HN -0.112 nan 8.230 nan 0.000 0.439 24 P HA -0.000 nan 4.420 nan 0.000 0.286 24 P C 1.313 178.464 177.300 -0.249 0.000 1.577 24 P CA 0.351 63.214 63.100 -0.394 0.000 0.805 24 P CB -0.060 31.354 31.700 -0.477 0.000 1.706 25 I N -0.167 120.292 120.570 -0.186 0.000 2.361 25 I HA -0.209 3.961 4.170 -0.001 0.000 0.251 25 I C 1.746 177.772 176.117 -0.152 0.000 1.133 25 I CA 1.127 62.343 61.300 -0.139 0.000 1.413 25 I CB 0.233 38.175 38.000 -0.096 0.000 1.073 25 I HN -0.137 nan 8.210 nan 0.000 0.424 26 V N 1.228 121.019 119.914 -0.205 0.000 2.427 26 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 26 V C 2.723 178.518 176.094 -0.497 0.000 1.051 26 V CA 1.617 63.755 62.300 -0.270 0.000 1.048 26 V CB -1.232 30.440 31.823 -0.251 0.000 0.666 26 V HN 0.550 nan 8.190 nan 0.000 0.456 27 A N -0.012 122.417 122.820 -0.653 0.000 1.930 27 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 27 A C 2.153 179.691 177.584 -0.076 0.000 1.175 27 A CA 1.857 53.573 52.037 -0.535 0.000 0.627 27 A CB -0.477 18.392 19.000 -0.218 0.000 0.815 27 A HN 0.443 nan 8.150 nan 0.000 0.443 28 L N -0.106 121.062 121.223 -0.090 0.000 1.994 28 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 28 L C 2.728 179.602 176.870 0.007 0.000 1.071 28 L CA 2.289 57.111 54.840 -0.030 0.000 0.745 28 L CB -0.802 41.210 42.059 -0.077 0.000 0.892 28 L HN 0.332 nan 8.230 nan 0.000 0.431 29 A N -1.433 121.380 122.820 -0.012 0.000 1.948 29 A HA -0.322 3.998 4.320 -0.001 0.000 0.220 29 A C 2.282 179.906 177.584 0.068 0.000 1.177 29 A CA 2.078 54.125 52.037 0.017 0.000 0.636 29 A CB -1.282 17.719 19.000 0.001 0.000 0.815 29 A HN 0.675 nan 8.150 nan 0.000 0.449 30 Y N 1.292 121.578 120.300 -0.025 0.000 2.049 30 Y HA -0.248 4.301 4.550 -0.000 0.000 0.277 30 Y C 1.866 177.794 175.900 0.046 0.000 1.143 30 Y CA 2.285 60.416 58.100 0.052 0.000 1.115 30 Y CB -0.346 38.205 38.460 0.152 0.000 0.975 30 Y HN 0.366 nan 8.280 nan 0.000 0.487 31 D N -0.937 119.529 120.400 0.110 0.000 2.311 31 D HA -0.143 4.497 4.640 -0.001 0.000 0.212 31 D C 1.948 178.174 176.300 -0.124 0.000 0.972 31 D CA 1.657 55.642 54.000 -0.024 0.000 0.887 31 D CB -0.291 40.587 40.800 0.129 0.000 0.915 31 D HN 0.432 nan 8.370 nan 0.000 0.497 32 T N 0.229 114.754 114.554 -0.049 0.000 2.978 32 T HA 0.095 4.445 4.350 -0.001 0.000 0.262 32 T C 1.823 176.510 174.700 -0.022 0.000 1.063 32 T CA 0.404 62.514 62.100 0.016 0.000 1.140 32 T CB 0.370 69.309 68.868 0.118 0.000 0.886 32 T HN 0.195 nan 8.240 nan 0.000 0.470 33 I N -0.053 120.511 120.570 -0.010 0.000 3.974 33 I HA 0.261 4.430 4.170 -0.001 0.000 0.334 33 I C 0.658 176.863 176.117 0.147 0.000 1.437 33 I CA 0.082 61.470 61.300 0.147 0.000 1.113 33 I CB 0.362 38.480 38.000 0.197 0.000 1.063 33 I HN 0.101 nan 8.210 nan 0.000 0.400 34 M N 1.049 120.567 119.600 -0.136 0.000 2.596 34 M HA 0.359 4.839 4.480 -0.001 0.000 0.364 34 M C 0.174 176.348 176.300 -0.210 0.000 1.158 34 M CA -0.169 54.986 55.300 -0.241 0.000 0.940 34 M CB 0.641 32.718 32.600 -0.871 0.000 1.388 34 M HN 0.107 nan 8.290 nan 0.000 0.522 35 I N 4.551 125.050 120.570 -0.118 0.000 2.496 35 I HA 0.206 4.375 4.170 -0.001 0.000 0.285 35 I C -1.863 174.301 176.117 0.078 0.000 1.080 35 I CA -1.441 59.796 61.300 -0.104 0.000 1.404 35 I CB 1.289 39.147 38.000 -0.237 0.000 1.403 35 I HN -0.028 nan 8.210 nan 0.000 0.539 36 P HA 0.094 nan 4.420 nan 0.000 0.271 36 P C -1.064 176.328 177.300 0.152 0.000 1.233 36 P CA 0.022 63.208 63.100 0.142 0.000 0.764 36 P CB 0.467 32.253 31.700 0.143 0.000 0.825 37 T N 5.908 120.591 114.554 0.214 0.000 2.823 37 T HA 0.402 4.752 4.350 -0.001 0.000 0.279 37 T C -2.432 172.350 174.700 0.137 0.000 0.998 37 T CA -2.010 60.208 62.100 0.196 0.000 0.994 37 T CB 1.113 70.188 68.868 0.345 0.000 0.960 37 T HN 0.302 nan 8.240 nan 0.000 0.448 38 P HA 0.079 nan 4.420 nan 0.000 0.264 38 P C 0.381 177.616 177.300 -0.107 0.000 1.183 38 P CA -0.042 63.008 63.100 -0.083 0.000 0.763 38 P CB 0.927 32.535 31.700 -0.153 0.000 0.807 39 R N 2.688 123.033 120.500 -0.258 0.000 2.152 39 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 39 R C 1.609 177.469 176.300 -0.733 0.000 1.117 39 R CA 1.548 57.286 56.100 -0.603 0.000 0.981 39 R CB -0.539 29.175 30.300 -0.977 0.000 0.870 39 R HN 0.584 nan 8.270 nan 0.000 0.451 40 N N 1.224 119.631 118.700 -0.488 0.000 2.383 40 N HA -0.031 4.709 4.740 -0.001 0.000 0.192 40 N C 0.104 175.372 175.510 -0.403 0.000 1.141 40 N CA 0.163 53.000 53.050 -0.356 0.000 0.851 40 N CB -0.112 38.274 38.487 -0.168 0.000 0.976 40 N HN 0.140 nan 8.380 nan 0.000 0.465 41 L N 1.720 122.640 121.223 -0.505 0.000 2.543 41 L HA -0.065 4.274 4.340 -0.001 0.000 0.285 41 L C 0.588 177.156 176.870 -0.503 0.000 1.236 41 L CA 0.012 54.363 54.840 -0.816 0.000 0.871 41 L CB -0.191 41.365 42.059 -0.839 0.000 1.121 41 L HN 0.321 nan 8.230 nan 0.000 0.501 42 N N 0.630 119.063 118.700 -0.444 0.000 2.671 42 N HA 0.194 4.934 4.740 -0.001 0.000 0.303 42 N C -0.068 175.391 175.510 -0.086 0.000 1.277 42 N CA -0.841 52.097 53.050 -0.186 0.000 0.933 42 N CB 0.177 38.699 38.487 0.058 0.000 1.190 42 N HN 0.428 nan 8.380 nan 0.000 0.600 43 W N -0.923 120.477 121.300 0.166 0.000 2.662 43 W HA 0.080 4.740 4.660 -0.000 0.000 0.249 43 W C 1.167 177.805 176.519 0.199 0.000 1.251 43 W CA 0.078 57.498 57.345 0.126 0.000 1.277 43 W CB -0.259 29.255 29.460 0.091 0.000 1.140 43 W HN 0.347 nan 8.180 nan 0.000 0.645 44 M N -1.885 118.019 119.600 0.506 0.000 2.509 44 M HA 0.010 4.489 4.480 -0.001 0.000 0.250 44 M C 1.049 177.596 176.300 0.410 0.000 1.132 44 M CA 0.514 56.162 55.300 0.581 0.000 1.080 44 M CB -0.757 32.173 32.600 0.549 0.000 1.408 44 M HN 0.280 nan 8.290 nan 0.000 0.484 45 W N 0.901 122.202 121.300 0.002 0.000 3.353 45 W HA 0.078 4.737 4.660 -0.001 0.000 0.304 45 W C 0.970 177.414 176.519 -0.126 0.000 1.273 45 W CA 0.148 57.451 57.345 -0.070 0.000 1.773 45 W CB 0.144 29.471 29.460 -0.221 0.000 1.095 45 W HN 0.179 nan 8.180 nan 0.000 0.676 46 I N -4.883 115.633 120.570 -0.090 0.000 3.875 46 I HA 0.139 4.309 4.170 -0.001 0.000 0.329 46 I C 1.111 176.985 176.117 -0.405 0.000 1.295 46 I CA -0.023 61.126 61.300 -0.252 0.000 1.129 46 I CB -1.030 36.795 38.000 -0.292 0.000 1.008 46 I HN -0.198 nan 8.210 nan 0.000 0.413 47 W N 1.417 122.764 121.300 0.078 0.000 2.770 47 W HA 0.344 5.003 4.660 -0.001 0.000 0.256 47 W C 2.402 178.823 176.519 -0.163 0.000 1.291 47 W CA 0.532 57.888 57.345 0.017 0.000 1.396 47 W CB -0.331 29.186 29.460 0.095 0.000 1.114 47 W HN 0.242 nan 8.180 nan 0.000 0.637 48 G N 0.214 108.966 108.800 -0.079 0.000 2.433 48 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.216 48 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.216 48 G C 1.499 176.387 174.900 -0.021 0.000 1.186 48 G CA 1.335 46.320 45.100 -0.192 0.000 0.779 48 G HN 0.158 nan 8.290 nan 0.000 0.543 49 V N 0.403 120.335 119.914 0.029 0.000 2.809 49 V HA -0.050 4.069 4.120 -0.001 0.000 0.256 49 V C 2.849 178.993 176.094 0.084 0.000 1.080 49 V CA 1.167 63.514 62.300 0.079 0.000 1.102 49 V CB 0.087 31.975 31.823 0.107 0.000 0.705 49 V HN 0.191 nan 8.190 nan 0.000 0.475 50 V N -0.297 119.655 119.914 0.064 0.000 2.667 50 V HA -0.146 3.974 4.120 -0.001 0.000 0.252 50 V C 2.197 178.363 176.094 0.121 0.000 1.065 50 V CA 1.684 64.054 62.300 0.115 0.000 1.083 50 V CB -0.278 31.656 31.823 0.185 0.000 0.692 50 V HN 0.463 nan 8.190 nan 0.000 0.468 51 L N -0.054 121.219 121.223 0.084 0.000 2.072 51 L HA -0.049 4.290 4.340 -0.001 0.000 0.205 51 L C 2.758 179.583 176.870 -0.075 0.000 1.079 51 L CA 1.315 56.179 54.840 0.042 0.000 0.752 51 L CB -0.766 41.358 42.059 0.109 0.000 0.906 51 L HN 0.332 nan 8.230 nan 0.000 0.436 52 A N 0.368 123.196 122.820 0.013 0.000 1.859 52 A HA -0.314 4.006 4.320 -0.001 0.000 0.217 52 A C 2.194 179.740 177.584 -0.064 0.000 1.198 52 A CA 2.004 54.046 52.037 0.007 0.000 0.629 52 A CB -1.045 18.002 19.000 0.079 0.000 0.830 52 A HN 0.403 nan 8.150 nan 0.000 0.446 53 F N 0.586 120.468 119.950 -0.113 0.000 2.065 53 F HA -0.282 4.244 4.527 -0.001 0.000 0.298 53 F C 2.517 178.162 175.800 -0.258 0.000 1.112 53 F CA 1.705 59.627 58.000 -0.129 0.000 1.212 53 F CB -0.924 38.023 39.000 -0.088 0.000 0.975 53 F HN 0.314 nan 8.300 nan 0.000 0.476 54 C N 0.251 119.250 119.300 -0.502 0.000 2.398 54 C HA -0.192 4.268 4.460 -0.001 0.000 0.276 54 C C 2.718 177.078 174.990 -1.050 0.000 1.222 54 C CA 1.199 59.686 59.018 -0.884 0.000 1.746 54 C CB -1.574 25.521 27.740 -1.074 0.000 2.039 54 C HN 0.681 nan 8.230 nan 0.000 0.470 55 L N 0.664 121.327 121.223 -0.933 0.000 2.017 55 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 55 L C 2.492 179.122 176.870 -0.400 0.000 1.073 55 L CA 1.916 56.410 54.840 -0.577 0.000 0.745 55 L CB -0.852 41.071 42.059 -0.227 0.000 0.894 55 L HN 0.203 nan 8.230 nan 0.000 0.432 56 V N -0.390 119.303 119.914 -0.367 0.000 2.295 56 V HA -0.281 3.839 4.120 -0.001 0.000 0.246 56 V C 2.539 178.422 176.094 -0.351 0.000 1.049 56 V CA 1.807 63.935 62.300 -0.285 0.000 1.024 56 V CB -0.732 30.962 31.823 -0.216 0.000 0.648 56 V HN 0.563 nan 8.190 nan 0.000 0.447 57 L N 0.023 120.893 121.223 -0.588 0.000 2.012 57 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 57 L C 2.517 179.228 176.870 -0.265 0.000 1.073 57 L CA 2.015 56.550 54.840 -0.508 0.000 0.748 57 L CB -0.793 40.794 42.059 -0.787 0.000 0.891 57 L HN 0.269 nan 8.230 nan 0.000 0.431 58 Q N -0.167 119.450 119.800 -0.305 0.000 2.050 58 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 58 Q C 2.414 178.387 176.000 -0.044 0.000 0.980 58 Q CA 2.255 57.983 55.803 -0.126 0.000 0.840 58 Q CB -0.424 28.171 28.738 -0.238 0.000 0.898 58 Q HN 0.637 nan 8.270 nan 0.000 0.424 59 I N 0.543 121.005 120.570 -0.180 0.000 2.127 59 I HA -0.260 3.909 4.170 -0.001 0.000 0.241 59 I C 2.484 178.508 176.117 -0.154 0.000 1.075 59 I CA 1.513 62.682 61.300 -0.217 0.000 1.334 59 I CB -0.586 37.277 38.000 -0.229 0.000 1.040 59 I HN 0.107 nan 8.210 nan 0.000 0.405 60 V N -0.502 119.347 119.914 -0.107 0.000 2.407 60 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 60 V C 2.436 178.493 176.094 -0.061 0.000 1.055 60 V CA 2.323 64.585 62.300 -0.062 0.000 1.049 60 V CB -1.569 30.232 31.823 -0.037 0.000 0.662 60 V HN 0.595 nan 8.190 nan 0.000 0.455 61 T N -1.567 112.958 114.554 -0.049 0.000 2.915 61 T HA 0.087 4.437 4.350 -0.001 0.000 0.269 61 T C 1.992 176.562 174.700 -0.216 0.000 1.071 61 T CA 1.253 63.324 62.100 -0.049 0.000 1.132 61 T CB -0.865 68.046 68.868 0.072 0.000 0.878 61 T HN 0.693 nan 8.240 nan 0.000 0.479 62 G N 1.896 110.531 108.800 -0.276 0.000 2.404 62 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.214 62 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.214 62 G C 1.509 176.219 174.900 -0.317 0.000 1.189 62 G CA 0.612 45.430 45.100 -0.470 0.000 0.789 62 G HN 0.535 nan 8.290 nan 0.000 0.533 63 I N 0.474 120.896 120.570 -0.247 0.000 2.151 63 I HA -0.207 3.963 4.170 -0.001 0.000 0.243 63 I C 2.799 178.897 176.117 -0.032 0.000 1.080 63 I CA 0.700 61.921 61.300 -0.130 0.000 1.339 63 I CB -0.494 37.492 38.000 -0.024 0.000 1.039 63 I HN 0.023 nan 8.210 nan 0.000 0.409 64 V N 1.096 120.992 119.914 -0.030 0.000 2.255 64 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 64 V C 2.452 178.593 176.094 0.078 0.000 1.051 64 V CA 1.928 64.248 62.300 0.032 0.000 1.018 64 V CB -0.502 31.339 31.823 0.030 0.000 0.641 64 V HN 0.355 nan 8.190 nan 0.000 0.445 65 L N 0.048 121.271 121.223 0.000 0.000 2.079 65 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 65 L C 2.576 179.514 176.870 0.112 0.000 1.081 65 L CA 1.598 56.460 54.840 0.037 0.000 0.752 65 L CB -0.688 41.283 42.059 -0.146 0.000 0.896 65 L HN 0.371 nan 8.230 nan 0.000 0.433 66 A N -0.903 121.969 122.820 0.087 0.000 2.178 66 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 66 A C 2.230 179.923 177.584 0.181 0.000 1.157 66 A CA 1.310 53.498 52.037 0.252 0.000 0.689 66 A CB -0.493 18.719 19.000 0.354 0.000 0.787 66 A HN 0.407 nan 8.150 nan 0.000 0.465 67 M N -1.438 118.187 119.600 0.041 0.000 2.492 67 M HA -0.025 4.455 4.480 -0.001 0.000 0.262 67 M C 1.168 177.232 176.300 -0.393 0.000 1.090 67 M CA 0.938 56.127 55.300 -0.184 0.000 1.110 67 M CB -0.024 32.385 32.600 -0.319 0.000 1.407 67 M HN 0.506 nan 8.290 nan 0.000 0.470 68 H N -3.083 116.056 119.070 0.114 0.000 3.170 68 H HA 0.147 4.703 4.556 -0.000 0.000 0.264 68 H C -0.504 174.901 175.328 0.128 0.000 1.113 68 H CA -0.146 55.981 56.048 0.131 0.000 1.194 68 H CB 0.353 30.211 29.762 0.160 0.000 1.553 68 H HN 0.212 nan 8.280 nan 0.000 0.538 69 Y N 2.641 122.976 120.300 0.059 0.000 2.304 69 Y HA 0.243 4.792 4.550 -0.001 0.000 0.328 69 Y C -0.213 175.589 175.900 -0.163 0.000 1.123 69 Y CA -0.246 57.833 58.100 -0.035 0.000 1.218 69 Y CB 1.021 39.456 38.460 -0.043 0.000 1.207 69 Y HN -0.204 nan 8.280 nan 0.000 0.495 70 T N 9.297 123.299 114.554 -0.919 0.000 2.801 70 T HA 0.245 4.595 4.350 -0.001 0.000 0.306 70 T C -2.715 171.309 174.700 -1.126 0.000 1.020 70 T CA -1.462 60.168 62.100 -0.784 0.000 0.948 70 T CB 0.885 69.486 68.868 -0.444 0.000 0.962 70 T HN 0.461 nan 8.240 nan 0.000 0.465 71 P HA 0.119 nan 4.420 nan 0.000 0.237 71 P C -0.735 176.381 177.300 -0.306 0.000 1.788 71 P CA -0.008 62.758 63.100 -0.557 0.000 1.061 71 P CB -0.140 31.318 31.700 -0.402 0.000 1.967 72 H N 2.678 121.477 119.070 -0.451 0.000 3.083 72 H HA 0.061 4.617 4.556 -0.001 0.000 0.339 72 H C 1.134 176.198 175.328 -0.439 0.000 1.020 72 H CA -0.383 55.434 56.048 -0.385 0.000 1.360 72 H CB 2.351 31.941 29.762 -0.287 0.000 1.811 72 H HN -0.055 nan 8.280 nan 0.000 0.493 73 V N 1.640 121.100 119.914 -0.757 0.000 2.495 73 V HA -0.260 3.860 4.120 -0.001 0.000 0.260 73 V C 1.245 177.238 176.094 -0.168 0.000 1.097 73 V CA 2.438 64.302 62.300 -0.726 0.000 1.105 73 V CB -0.159 31.300 31.823 -0.606 0.000 0.678 73 V HN 0.543 nan 8.190 nan 0.000 0.469 74 D N -0.213 120.264 120.400 0.129 0.000 2.323 74 D HA 0.184 4.823 4.640 -0.001 0.000 0.209 74 D C 1.747 178.081 176.300 0.057 0.000 0.973 74 D CA 1.195 55.275 54.000 0.133 0.000 0.874 74 D CB 0.340 41.233 40.800 0.154 0.000 0.930 74 D HN 0.565 nan 8.370 nan 0.000 0.521 75 L N -0.924 120.310 121.223 0.018 0.000 2.948 75 L HA 0.348 4.688 4.340 -0.001 0.000 0.259 75 L C 2.122 178.945 176.870 -0.079 0.000 1.136 75 L CA 0.116 54.923 54.840 -0.056 0.000 0.959 75 L CB 0.103 42.070 42.059 -0.154 0.000 1.370 75 L HN -0.183 nan 8.230 nan 0.000 0.552 76 A N 0.907 123.654 122.820 -0.122 0.000 1.873 76 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 76 A C 2.101 179.782 177.584 0.162 0.000 1.193 76 A CA 1.999 53.960 52.037 -0.127 0.000 0.629 76 A CB -0.775 18.179 19.000 -0.076 0.000 0.826 76 A HN 0.386 nan 8.150 nan 0.000 0.447 77 F N 0.551 120.578 119.950 0.129 0.000 2.113 77 F HA 0.017 4.544 4.527 -0.001 0.000 0.297 77 F C 2.586 178.462 175.800 0.127 0.000 1.103 77 F CA 1.225 59.328 58.000 0.172 0.000 1.248 77 F CB -0.368 38.746 39.000 0.190 0.000 0.999 77 F HN 0.253 nan 8.300 nan 0.000 0.475 78 A N -0.349 122.651 122.820 0.301 0.000 1.908 78 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 78 A C 2.350 179.987 177.584 0.089 0.000 1.181 78 A CA 2.137 54.283 52.037 0.181 0.000 0.627 78 A CB -1.495 17.580 19.000 0.126 0.000 0.818 78 A HN 0.513 nan 8.150 nan 0.000 0.445 79 S N -0.463 115.263 115.700 0.043 0.000 2.419 79 S HA -0.105 4.365 4.470 -0.001 0.000 0.233 79 S C 1.684 176.367 174.600 0.139 0.000 1.016 79 S CA 1.618 59.840 58.200 0.037 0.000 0.974 79 S CB -0.590 62.540 63.200 -0.116 0.000 0.786 79 S HN 0.286 nan 8.310 nan 0.000 0.492 80 V N 1.418 121.387 119.914 0.091 0.000 2.788 80 V HA 0.046 4.166 4.120 -0.001 0.000 0.251 80 V C 2.852 178.933 176.094 -0.023 0.000 1.068 80 V CA 1.339 63.670 62.300 0.051 0.000 1.090 80 V CB -0.563 31.251 31.823 -0.015 0.000 0.710 80 V HN 0.405 nan 8.190 nan 0.000 0.467 81 E N 0.115 120.286 120.200 -0.049 0.000 2.072 81 E HA -0.204 4.146 4.350 -0.001 0.000 0.190 81 E C 2.115 178.737 176.600 0.036 0.000 0.982 81 E CA 1.425 57.811 56.400 -0.024 0.000 0.803 81 E CB -0.328 29.373 29.700 0.002 0.000 0.755 81 E HN 0.810 nan 8.360 nan 0.000 0.453 82 H N 1.065 120.129 119.070 -0.010 0.000 2.353 82 H HA -0.089 4.467 4.556 -0.001 0.000 0.298 82 H C 2.047 177.363 175.328 -0.019 0.000 1.103 82 H CA 2.007 58.053 56.048 -0.003 0.000 1.293 82 H CB -0.305 29.462 29.762 0.008 0.000 1.372 82 H HN 0.083 nan 8.280 nan 0.000 0.501 83 I N -0.223 120.303 120.570 -0.073 0.000 2.361 83 I HA -0.240 3.930 4.170 -0.001 0.000 0.251 83 I C 1.900 177.929 176.117 -0.148 0.000 1.133 83 I CA 0.915 62.117 61.300 -0.164 0.000 1.413 83 I CB -0.236 37.744 38.000 -0.035 0.000 1.073 83 I HN 0.389 nan 8.210 nan 0.000 0.424 84 M N 0.055 119.605 119.600 -0.084 0.000 2.236 84 M HA -0.080 4.399 4.480 -0.001 0.000 0.266 84 M C 2.211 178.511 176.300 -0.000 0.000 1.070 84 M CA 1.656 56.934 55.300 -0.036 0.000 1.137 84 M CB -0.862 31.707 32.600 -0.052 0.000 1.378 84 M HN 0.204 nan 8.290 nan 0.000 0.426 85 R N -0.666 119.804 120.500 -0.049 0.000 2.237 85 R HA 0.094 4.433 4.340 -0.001 0.000 0.195 85 R C 1.445 177.698 176.300 -0.078 0.000 0.956 85 R CA 0.490 56.563 56.100 -0.045 0.000 1.029 85 R CB 0.201 30.487 30.300 -0.023 0.000 0.972 85 R HN 0.379 nan 8.270 nan 0.000 0.493 86 N N -0.093 118.493 118.700 -0.190 0.000 2.612 86 N HA 0.046 4.785 4.740 -0.001 0.000 0.224 86 N C 0.188 175.553 175.510 -0.242 0.000 1.051 86 N CA 0.190 53.106 53.050 -0.224 0.000 0.889 86 N CB 0.306 38.602 38.487 -0.319 0.000 1.449 86 N HN -0.165 nan 8.380 nan 0.000 0.442 87 V N 4.301 123.982 119.914 -0.389 0.000 2.557 87 V HA -0.037 4.083 4.120 -0.001 0.000 0.301 87 V C 0.183 176.164 176.094 -0.189 0.000 1.026 87 V CA -0.363 61.717 62.300 -0.367 0.000 1.137 87 V CB -0.275 31.174 31.823 -0.625 0.000 0.917 87 V HN 0.236 nan 8.190 nan 0.000 0.484 88 N N 4.627 123.254 118.700 -0.121 0.000 2.374 88 N HA 0.042 4.782 4.740 -0.001 0.000 0.269 88 N C 1.301 176.767 175.510 -0.073 0.000 1.310 88 N CA 1.152 54.177 53.050 -0.042 0.000 0.877 88 N CB 0.590 39.067 38.487 -0.017 0.000 1.096 88 N HN 1.138 nan 8.380 nan 0.000 0.484 89 G N 1.505 110.283 108.800 -0.037 0.000 2.168 89 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.257 89 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.257 89 G C 1.208 175.848 174.900 -0.434 0.000 0.997 89 G CA 0.702 45.632 45.100 -0.283 0.000 0.708 89 G HN 0.738 nan 8.290 nan 0.000 0.520 90 G N 0.967 109.614 108.800 -0.256 0.000 2.433 90 G HA2 0.063 4.023 3.960 -0.001 0.000 0.216 90 G HA3 0.063 4.023 3.960 -0.001 0.000 0.216 90 G C 1.568 176.299 174.900 -0.281 0.000 1.186 90 G CA 1.454 46.407 45.100 -0.244 0.000 0.779 90 G HN 1.169 nan 8.290 nan 0.000 0.543 91 F N 0.657 120.519 119.950 -0.146 0.000 2.115 91 F HA -0.150 4.377 4.527 -0.001 0.000 0.300 91 F C 2.340 178.047 175.800 -0.154 0.000 1.092 91 F CA 1.931 59.805 58.000 -0.211 0.000 1.245 91 F CB -0.670 38.252 39.000 -0.130 0.000 0.995 91 F HN 0.178 nan 8.300 nan 0.000 0.481 92 M N 0.716 119.552 119.600 -1.274 0.000 2.200 92 M HA 0.065 4.545 4.480 -0.001 0.000 0.265 92 M C 1.888 178.035 176.300 -0.254 0.000 1.066 92 M CA 1.528 56.437 55.300 -0.652 0.000 1.127 92 M CB -0.577 31.529 32.600 -0.823 0.000 1.379 92 M HN 0.313 nan 8.290 nan 0.000 0.420 93 L N -0.921 120.138 121.223 -0.273 0.000 2.093 93 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 93 L C 2.745 179.597 176.870 -0.031 0.000 1.085 93 L CA 0.944 55.719 54.840 -0.108 0.000 0.755 93 L CB -0.745 41.246 42.059 -0.113 0.000 0.904 93 L HN 0.303 nan 8.230 nan 0.000 0.435 94 R N 0.074 120.525 120.500 -0.082 0.000 2.082 94 R HA -0.214 4.126 4.340 -0.001 0.000 0.228 94 R C 2.367 178.731 176.300 0.106 0.000 1.140 94 R CA 1.964 58.047 56.100 -0.028 0.000 0.920 94 R CB -0.845 29.360 30.300 -0.157 0.000 0.828 94 R HN 0.181 nan 8.270 nan 0.000 0.430 95 Y N 1.181 121.529 120.300 0.080 0.000 2.283 95 Y HA -0.206 4.344 4.550 -0.000 0.000 0.285 95 Y C 2.363 178.306 175.900 0.070 0.000 1.176 95 Y CA 1.006 59.160 58.100 0.090 0.000 1.229 95 Y CB -0.600 37.905 38.460 0.074 0.000 0.975 95 Y HN 0.120 nan 8.280 nan 0.000 0.537 96 L N -1.929 119.416 121.223 0.203 0.000 2.179 96 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 96 L C 2.356 179.385 176.870 0.265 0.000 1.096 96 L CA 1.086 56.032 54.840 0.176 0.000 0.779 96 L CB -0.328 41.797 42.059 0.110 0.000 0.922 96 L HN 0.180 nan 8.230 nan 0.000 0.443 97 H N -0.366 118.777 119.070 0.121 0.000 2.363 97 H HA -0.045 4.510 4.556 -0.001 0.000 0.301 97 H C 2.045 177.469 175.328 0.159 0.000 1.074 97 H CA 1.291 57.397 56.048 0.097 0.000 1.354 97 H CB 0.094 29.890 29.762 0.057 0.000 1.397 97 H HN 0.291 nan 8.280 nan 0.000 0.516 98 A N 0.873 123.846 122.820 0.254 0.000 1.827 98 A HA -0.235 4.084 4.320 -0.001 0.000 0.215 98 A C 2.235 179.979 177.584 0.265 0.000 1.212 98 A CA 1.786 53.971 52.037 0.248 0.000 0.624 98 A CB -0.883 18.303 19.000 0.310 0.000 0.853 98 A HN 0.621 nan 8.150 nan 0.000 0.450 99 N N 0.014 118.904 118.700 0.316 0.000 2.334 99 N HA -0.148 4.592 4.740 -0.001 0.000 0.187 99 N C 1.684 177.465 175.510 0.451 0.000 1.016 99 N CA 1.199 54.485 53.050 0.392 0.000 0.879 99 N CB -0.378 38.311 38.487 0.337 0.000 0.965 99 N HN 0.573 nan 8.380 nan 0.000 0.438 100 G N 0.873 109.870 108.800 0.328 0.000 2.422 100 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.218 100 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.218 100 G C 1.712 176.615 174.900 0.005 0.000 1.140 100 G CA 0.896 46.039 45.100 0.073 0.000 0.775 100 G HN 0.391 nan 8.290 nan 0.000 0.545 101 A N 1.156 124.017 122.820 0.068 0.000 1.858 101 A HA -0.023 4.297 4.320 -0.001 0.000 0.216 101 A C 2.723 180.424 177.584 0.195 0.000 1.190 101 A CA 2.332 54.413 52.037 0.073 0.000 0.617 101 A CB -0.799 18.256 19.000 0.091 0.000 0.827 101 A HN 0.323 nan 8.150 nan 0.000 0.443 102 S N -0.214 115.740 115.700 0.423 0.000 2.365 102 S HA -0.204 4.266 4.470 -0.001 0.000 0.225 102 S C 1.864 176.817 174.600 0.589 0.000 1.039 102 S CA 1.602 60.252 58.200 0.749 0.000 1.033 102 S CB -0.588 63.116 63.200 0.839 0.000 0.887 102 S HN 0.523 nan 8.310 nan 0.000 0.447 103 L N 0.894 122.312 121.223 0.325 0.000 2.083 103 L HA -0.014 4.326 4.340 -0.001 0.000 0.209 103 L C 1.929 178.898 176.870 0.165 0.000 1.083 103 L CA 1.602 56.542 54.840 0.167 0.000 0.752 103 L CB -0.814 41.134 42.059 -0.185 0.000 0.899 103 L HN 0.181 nan 8.230 nan 0.000 0.433 104 F N -0.516 119.358 119.950 -0.126 0.000 2.134 104 F HA -0.198 4.329 4.527 -0.001 0.000 0.299 104 F C 2.120 177.667 175.800 -0.421 0.000 1.097 104 F CA 1.404 59.208 58.000 -0.326 0.000 1.264 104 F CB -0.783 37.891 39.000 -0.543 0.000 1.001 104 F HN 0.118 nan 8.300 nan 0.000 0.479 105 F N -0.046 119.887 119.950 -0.027 0.000 2.187 105 F HA -0.074 4.453 4.527 -0.000 0.000 0.295 105 F C 2.445 178.243 175.800 -0.003 0.000 1.091 105 F CA 0.932 58.769 58.000 -0.271 0.000 1.308 105 F CB -0.933 37.747 39.000 -0.533 0.000 1.030 105 F HN -0.167 nan 8.300 nan 0.000 0.487 106 I N 0.013 120.926 120.570 0.572 0.000 2.248 106 I HA -0.382 3.787 4.170 -0.001 0.000 0.248 106 I C 2.574 178.789 176.117 0.164 0.000 1.107 106 I CA 1.422 63.016 61.300 0.491 0.000 1.373 106 I CB -0.842 37.353 38.000 0.324 0.000 1.055 106 I HN 0.126 nan 8.210 nan 0.000 0.418 107 A N 0.514 123.407 122.820 0.122 0.000 1.897 107 A HA -0.094 4.225 4.320 -0.001 0.000 0.215 107 A C 2.376 180.000 177.584 0.066 0.000 1.181 107 A CA 1.624 53.707 52.037 0.077 0.000 0.620 107 A CB -0.777 18.395 19.000 0.287 0.000 0.821 107 A HN 0.274 nan 8.150 nan 0.000 0.443 108 V N -1.612 118.301 119.914 -0.001 0.000 2.307 108 V HA -0.257 3.863 4.120 -0.001 0.000 0.245 108 V C 2.364 178.502 176.094 0.072 0.000 1.045 108 V CA 1.690 63.984 62.300 -0.009 0.000 1.024 108 V CB -1.549 30.141 31.823 -0.221 0.000 0.651 108 V HN 0.540 nan 8.190 nan 0.000 0.449 109 Y N 0.683 121.076 120.300 0.155 0.000 2.128 109 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 109 Y C 2.381 178.373 175.900 0.154 0.000 1.154 109 Y CA 1.022 59.211 58.100 0.149 0.000 1.149 109 Y CB -1.115 37.502 38.460 0.261 0.000 0.976 109 Y HN 0.153 nan 8.280 nan 0.000 0.505 110 L N -1.383 119.914 121.223 0.123 0.000 2.056 110 L HA -0.238 4.102 4.340 -0.001 0.000 0.207 110 L C 2.473 179.358 176.870 0.026 0.000 1.078 110 L CA 1.679 56.445 54.840 -0.124 0.000 0.749 110 L CB -0.645 40.892 42.059 -0.870 0.000 0.901 110 L HN 0.237 nan 8.230 nan 0.000 0.433 111 H N 0.321 119.377 119.070 -0.024 0.000 2.321 111 H HA -0.153 4.403 4.556 -0.001 0.000 0.300 111 H C 2.127 177.528 175.328 0.122 0.000 1.087 111 H CA 1.865 57.981 56.048 0.114 0.000 1.319 111 H CB -0.063 29.781 29.762 0.136 0.000 1.379 111 H HN 0.174 nan 8.280 nan 0.000 0.501 112 I N -0.817 119.800 120.570 0.079 0.000 2.113 112 I HA -0.267 3.903 4.170 -0.001 0.000 0.238 112 I C 1.837 178.018 176.117 0.107 0.000 1.070 112 I CA 1.246 62.553 61.300 0.013 0.000 1.332 112 I CB -0.347 37.603 38.000 -0.083 0.000 1.044 112 I HN 0.162 nan 8.210 nan 0.000 0.402 113 F N 0.640 120.676 119.950 0.144 0.000 2.250 113 F HA -0.205 4.322 4.527 -0.000 0.000 0.301 113 F C 2.579 178.561 175.800 0.304 0.000 1.077 113 F CA 1.174 59.304 58.000 0.218 0.000 1.348 113 F CB -0.413 38.647 39.000 0.100 0.000 1.040 113 F HN 0.005 nan 8.300 nan 0.000 0.509 114 R N 1.009 121.720 120.500 0.352 0.000 2.066 114 R HA -0.091 4.249 4.340 -0.001 0.000 0.232 114 R C 2.390 178.851 176.300 0.267 0.000 1.131 114 R CA 1.625 57.905 56.100 0.299 0.000 0.955 114 R CB -1.353 29.029 30.300 0.137 0.000 0.851 114 R HN 0.353 nan 8.270 nan 0.000 0.432 115 G N 1.572 110.479 108.800 0.179 0.000 2.421 115 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.216 115 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.216 115 G C 1.787 176.828 174.900 0.234 0.000 1.171 115 G CA 0.789 46.009 45.100 0.200 0.000 0.775 115 G HN 0.305 nan 8.290 nan 0.000 0.543 116 L N -1.098 120.339 121.223 0.357 0.000 2.042 116 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 116 L C 2.615 179.727 176.870 0.404 0.000 1.076 116 L CA 1.514 56.646 54.840 0.487 0.000 0.749 116 L CB -0.516 41.806 42.059 0.439 0.000 0.893 116 L HN 0.308 nan 8.230 nan 0.000 0.432 117 Y N -0.512 119.782 120.300 -0.011 0.000 2.220 117 Y HA -0.230 4.320 4.550 -0.001 0.000 0.291 117 Y C 1.983 177.589 175.900 -0.491 0.000 1.129 117 Y CA 1.422 59.169 58.100 -0.589 0.000 1.161 117 Y CB -0.103 37.591 38.460 -1.276 0.000 0.997 117 Y HN 0.049 nan 8.280 nan 0.000 0.522 118 Y N -0.083 120.206 120.300 -0.018 0.000 2.466 118 Y HA 0.272 4.821 4.550 -0.001 0.000 0.272 118 Y C 1.727 177.454 175.900 -0.287 0.000 1.169 118 Y CA 0.248 58.302 58.100 -0.078 0.000 1.285 118 Y CB -0.005 38.544 38.460 0.148 0.000 1.078 118 Y HN 0.195 nan 8.280 nan 0.000 0.523 119 G N -0.069 108.476 108.800 -0.425 0.000 2.273 119 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.280 119 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.280 119 G C 1.021 175.505 174.900 -0.693 0.000 1.047 119 G CA 0.655 45.215 45.100 -0.900 0.000 0.869 119 G HN 0.367 nan 8.290 nan 0.000 0.502 120 S N -0.835 114.617 115.700 -0.413 0.000 2.555 120 S HA 0.012 4.481 4.470 -0.001 0.000 0.230 120 S C 1.712 176.229 174.600 -0.139 0.000 0.978 120 S CA 1.421 59.521 58.200 -0.166 0.000 0.934 120 S CB -0.256 62.916 63.200 -0.046 0.000 0.766 120 S HN 0.972 nan 8.310 nan 0.000 0.533 121 Y N 0.837 121.017 120.300 -0.201 0.000 2.462 121 Y HA 0.467 5.016 4.550 -0.001 0.000 0.261 121 Y C 0.212 175.897 175.900 -0.359 0.000 1.146 121 Y CA -1.069 56.816 58.100 -0.358 0.000 1.283 121 Y CB -0.490 37.246 38.460 -1.206 0.000 1.090 121 Y HN -0.072 nan 8.280 nan 0.000 0.526 122 K N 1.796 121.948 120.400 -0.413 0.000 2.185 122 K HA 0.515 4.835 4.320 -0.001 0.000 0.271 122 K C 0.395 176.889 176.600 -0.177 0.000 1.013 122 K CA -0.166 55.961 56.287 -0.267 0.000 0.943 122 K CB 0.955 33.243 32.500 -0.352 0.000 0.998 122 K HN 0.282 nan 8.250 nan 0.000 0.468 123 A N 3.739 126.464 122.820 -0.159 0.000 2.622 123 A HA -0.046 4.273 4.320 -0.001 0.000 0.235 123 A C -1.335 176.209 177.584 -0.067 0.000 1.013 123 A CA -0.332 51.646 52.037 -0.099 0.000 0.765 123 A CB -0.381 18.568 19.000 -0.085 0.000 0.921 123 A HN 0.611 nan 8.150 nan 0.000 0.506 124 P HA 0.127 nan 4.420 nan 0.000 0.254 124 P C 0.209 177.515 177.300 0.010 0.000 1.494 124 P CA 0.063 63.157 63.100 -0.010 0.000 0.961 124 P CB 0.168 31.871 31.700 0.005 0.000 1.493 125 R N 0.396 120.900 120.500 0.006 0.000 2.423 125 R HA 0.097 4.436 4.340 -0.001 0.000 0.248 125 R C 0.915 177.277 176.300 0.105 0.000 1.019 125 R CA 0.084 56.221 56.100 0.061 0.000 1.119 125 R CB -0.086 30.252 30.300 0.064 0.000 1.176 125 R HN 0.189 nan 8.270 nan 0.000 0.526 126 E N 0.258 120.488 120.200 0.050 0.000 2.106 126 E HA -0.131 4.219 4.350 -0.001 0.000 0.192 126 E C 1.762 178.501 176.600 0.231 0.000 0.984 126 E CA 0.994 57.438 56.400 0.074 0.000 0.806 126 E CB 0.020 29.684 29.700 -0.060 0.000 0.750 126 E HN 0.046 nan 8.360 nan 0.000 0.458 127 V N 0.912 120.932 119.914 0.175 0.000 2.358 127 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 127 V C 2.114 178.319 176.094 0.186 0.000 1.047 127 V CA 2.114 64.510 62.300 0.160 0.000 1.035 127 V CB -0.862 30.999 31.823 0.063 0.000 0.658 127 V HN 0.340 nan 8.190 nan 0.000 0.452 128 T N -0.639 114.034 114.554 0.198 0.000 2.635 128 T HA -0.284 4.066 4.350 -0.001 0.000 0.267 128 T C 1.564 176.477 174.700 0.355 0.000 1.040 128 T CA 1.997 64.256 62.100 0.266 0.000 1.156 128 T CB -0.410 68.605 68.868 0.245 0.000 0.863 128 T HN 0.690 nan 8.240 nan 0.000 0.430 129 W N 1.673 123.072 121.300 0.166 0.000 2.333 129 W HA -0.145 4.514 4.660 -0.001 0.000 0.316 129 W C 1.976 178.574 176.519 0.132 0.000 1.215 129 W CA 1.117 58.549 57.345 0.144 0.000 1.278 129 W CB -0.618 28.908 29.460 0.109 0.000 1.154 129 W HN 0.246 nan 8.180 nan 0.000 0.486 130 I N 0.434 121.149 120.570 0.242 0.000 2.127 130 I HA -0.364 3.806 4.170 -0.001 0.000 0.241 130 I C 2.406 178.531 176.117 0.012 0.000 1.075 130 I CA 1.650 63.034 61.300 0.140 0.000 1.334 130 I CB -1.142 37.000 38.000 0.237 0.000 1.040 130 I HN -0.248 nan 8.210 nan 0.000 0.405 131 V N 1.136 121.085 119.914 0.059 0.000 2.324 131 V HA -0.289 3.831 4.120 -0.001 0.000 0.250 131 V C 2.590 178.623 176.094 -0.102 0.000 1.060 131 V CA 2.262 64.576 62.300 0.024 0.000 1.042 131 V CB -1.614 30.274 31.823 0.108 0.000 0.650 131 V HN 0.626 nan 8.190 nan 0.000 0.450 132 G N -0.518 108.176 108.800 -0.177 0.000 2.491 132 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 132 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 132 G C 1.519 176.220 174.900 -0.330 0.000 1.180 132 G CA 1.266 46.130 45.100 -0.395 0.000 0.774 132 G HN 0.323 nan 8.290 nan 0.000 0.562 133 M N 0.230 119.609 119.600 -0.367 0.000 2.144 133 M HA 0.023 4.503 4.480 -0.001 0.000 0.260 133 M C 2.650 178.916 176.300 -0.057 0.000 1.067 133 M CA 0.957 56.128 55.300 -0.214 0.000 1.095 133 M CB -1.120 31.374 32.600 -0.177 0.000 1.365 133 M HN 0.219 nan 8.290 nan 0.000 0.406 134 L N -0.729 120.454 121.223 -0.067 0.000 2.056 134 L HA -0.209 4.130 4.340 -0.001 0.000 0.207 134 L C 2.385 179.224 176.870 -0.051 0.000 1.078 134 L CA 0.970 55.789 54.840 -0.034 0.000 0.749 134 L CB -0.524 41.523 42.059 -0.019 0.000 0.901 134 L HN 0.208 nan 8.230 nan 0.000 0.433 135 I N -1.398 119.119 120.570 -0.088 0.000 2.163 135 I HA -0.368 3.802 4.170 -0.001 0.000 0.243 135 I C 2.555 178.615 176.117 -0.095 0.000 1.085 135 I CA 1.448 62.682 61.300 -0.109 0.000 1.347 135 I CB -0.424 37.476 38.000 -0.168 0.000 1.044 135 I HN 0.184 nan 8.210 nan 0.000 0.408 136 Y N 1.534 121.714 120.300 -0.200 0.000 2.114 136 Y HA -0.286 4.264 4.550 -0.001 0.000 0.282 136 Y C 2.278 178.125 175.900 -0.088 0.000 1.165 136 Y CA 1.660 59.663 58.100 -0.163 0.000 1.148 136 Y CB -0.561 37.817 38.460 -0.137 0.000 0.972 136 Y HN 0.023 nan 8.280 nan 0.000 0.504 137 L N -0.498 120.628 121.223 -0.163 0.000 2.017 137 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 137 L C 2.800 179.586 176.870 -0.139 0.000 1.073 137 L CA 1.505 56.230 54.840 -0.192 0.000 0.745 137 L CB -1.098 40.929 42.059 -0.054 0.000 0.894 137 L HN 0.276 nan 8.230 nan 0.000 0.432 138 A N -0.401 122.361 122.820 -0.095 0.000 1.892 138 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 138 A C 2.327 179.850 177.584 -0.102 0.000 1.188 138 A CA 2.202 54.196 52.037 -0.071 0.000 0.631 138 A CB -0.603 18.360 19.000 -0.063 0.000 0.822 138 A HN 0.359 nan 8.150 nan 0.000 0.447 139 M N -1.264 118.219 119.600 -0.195 0.000 2.073 139 M HA -0.246 4.234 4.480 -0.001 0.000 0.258 139 M C 2.514 178.776 176.300 -0.064 0.000 1.070 139 M CA 2.221 57.345 55.300 -0.293 0.000 1.103 139 M CB -0.533 31.719 32.600 -0.579 0.000 1.321 139 M HN 0.449 nan 8.290 nan 0.000 0.405 140 M N -0.382 119.198 119.600 -0.035 0.000 2.080 140 M HA -0.201 4.279 4.480 -0.001 0.000 0.260 140 M C 2.480 178.923 176.300 0.238 0.000 1.068 140 M CA 1.856 57.257 55.300 0.168 0.000 1.109 140 M CB -0.708 31.828 32.600 -0.106 0.000 1.342 140 M HN 0.418 nan 8.290 nan 0.000 0.405 141 A N 0.127 123.011 122.820 0.106 0.000 1.865 141 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 141 A C 2.201 179.895 177.584 0.184 0.000 1.191 141 A CA 2.401 54.541 52.037 0.173 0.000 0.623 141 A CB -1.268 17.788 19.000 0.094 0.000 0.826 141 A HN 0.474 nan 8.150 nan 0.000 0.444 142 T N 0.491 115.112 114.554 0.111 0.000 2.607 142 T HA -0.132 4.218 4.350 -0.001 0.000 0.267 142 T C 2.242 177.059 174.700 0.196 0.000 1.049 142 T CA 2.137 64.325 62.100 0.146 0.000 1.162 142 T CB -0.679 68.222 68.868 0.055 0.000 0.863 142 T HN 0.652 nan 8.240 nan 0.000 0.424 143 A N 1.322 124.249 122.820 0.179 0.000 1.917 143 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 143 A C 2.033 179.736 177.584 0.199 0.000 1.182 143 A CA 1.864 53.998 52.037 0.162 0.000 0.633 143 A CB -1.028 18.043 19.000 0.118 0.000 0.819 143 A HN 0.511 nan 8.150 nan 0.000 0.448 144 F N 0.434 120.508 119.950 0.207 0.000 2.046 144 F HA -0.204 4.322 4.527 -0.001 0.000 0.297 144 F C 2.219 178.044 175.800 0.041 0.000 1.123 144 F CA 2.163 60.294 58.000 0.219 0.000 1.199 144 F CB -0.644 38.450 39.000 0.156 0.000 0.972 144 F HN 0.188 nan 8.300 nan 0.000 0.474 145 M N 0.356 119.495 119.600 -0.769 0.000 2.117 145 M HA -0.100 4.379 4.480 -0.001 0.000 0.262 145 M C 2.497 178.431 176.300 -0.609 0.000 1.065 145 M CA 1.694 56.419 55.300 -0.959 0.000 1.114 145 M CB -1.314 30.892 32.600 -0.656 0.000 1.361 145 M HN 0.392 nan 8.290 nan 0.000 0.408 146 G N -0.671 107.666 108.800 -0.771 0.000 2.459 146 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 146 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 146 G C 1.302 176.030 174.900 -0.287 0.000 1.183 146 G CA 0.738 45.228 45.100 -1.016 0.000 0.776 146 G HN 0.427 nan 8.290 nan 0.000 0.552 147 Y N 1.226 121.400 120.300 -0.210 0.000 2.384 147 Y HA -0.115 4.435 4.550 -0.001 0.000 0.289 147 Y C 2.748 178.643 175.900 -0.008 0.000 1.152 147 Y CA 1.077 59.145 58.100 -0.052 0.000 1.258 147 Y CB 0.010 38.488 38.460 0.030 0.000 0.979 147 Y HN 0.064 nan 8.280 nan 0.000 0.549 148 V N -0.324 119.567 119.914 -0.040 0.000 2.488 148 V HA -0.283 3.837 4.120 -0.001 0.000 0.246 148 V C 2.397 178.611 176.094 0.200 0.000 1.046 148 V CA 1.449 63.796 62.300 0.077 0.000 1.053 148 V CB -0.714 31.234 31.823 0.207 0.000 0.679 148 V HN 0.378 nan 8.190 nan 0.000 0.458 149 L N 0.087 121.377 121.223 0.112 0.000 2.034 149 L HA -0.217 4.123 4.340 -0.001 0.000 0.217 149 L C 0.108 177.146 176.870 0.281 0.000 1.077 149 L CA 2.062 57.000 54.840 0.163 0.000 0.769 149 L CB -2.224 39.731 42.059 -0.174 0.000 0.890 149 L HN 0.360 nan 8.230 nan 0.000 0.435 150 P HA -0.244 nan 4.420 nan 0.000 0.217 150 P C 0.351 177.935 177.300 0.474 0.000 1.148 150 P CA 1.224 64.441 63.100 0.196 0.000 0.828 150 P CB -0.052 31.642 31.700 -0.010 0.000 0.783 151 W N -1.273 120.115 121.300 0.147 0.000 4.543 151 W HA -0.147 4.513 4.660 -0.000 0.000 0.375 151 W C 0.099 176.730 176.519 0.186 0.000 1.434 151 W CA -0.003 57.440 57.345 0.164 0.000 0.818 151 W CB -1.442 28.123 29.460 0.176 0.000 2.575 151 W HN -0.069 nan 8.180 nan 0.000 1.345 152 G N 0.549 109.442 108.800 0.156 0.000 2.537 152 G HA2 0.249 4.209 3.960 -0.001 0.000 0.297 152 G HA3 0.249 4.209 3.960 -0.001 0.000 0.297 152 G C 0.587 175.416 174.900 -0.118 0.000 1.310 152 G CA 0.084 45.238 45.100 0.089 0.000 1.027 152 G HN 0.159 nan 8.290 nan 0.000 0.505 153 Q N -0.829 118.931 119.800 -0.067 0.000 2.030 153 Q HA -0.111 4.229 4.340 -0.001 0.000 0.204 153 Q C 2.752 178.791 176.000 0.066 0.000 0.986 153 Q CA 1.243 57.044 55.803 -0.004 0.000 0.843 153 Q CB -0.309 28.476 28.738 0.079 0.000 0.904 153 Q HN 0.449 nan 8.270 nan 0.000 0.420 154 M N 0.135 119.747 119.600 0.019 0.000 2.213 154 M HA -0.096 4.384 4.480 -0.001 0.000 0.263 154 M C 2.183 178.544 176.300 0.101 0.000 1.062 154 M CA 1.066 56.411 55.300 0.075 0.000 1.105 154 M CB -1.055 31.596 32.600 0.085 0.000 1.385 154 M HN 0.030 nan 8.290 nan 0.000 0.417 155 S N 0.362 116.001 115.700 -0.103 0.000 2.348 155 S HA -0.124 4.346 4.470 -0.001 0.000 0.221 155 S C 1.727 176.264 174.600 -0.104 0.000 1.033 155 S CA 1.121 59.241 58.200 -0.132 0.000 1.010 155 S CB -0.408 62.697 63.200 -0.160 0.000 0.891 155 S HN 0.419 nan 8.310 nan 0.000 0.442 156 F N 0.761 120.405 119.950 -0.510 0.000 2.051 156 F HA -0.113 4.414 4.527 -0.001 0.000 0.296 156 F C 1.849 177.308 175.800 -0.569 0.000 1.122 156 F CA 1.508 59.019 58.000 -0.815 0.000 1.201 156 F CB -0.483 37.770 39.000 -1.246 0.000 0.978 156 F HN 0.267 nan 8.300 nan 0.000 0.472 157 W N 0.061 121.404 121.300 0.072 0.000 2.425 157 W HA 0.017 4.677 4.660 -0.000 0.000 0.277 157 W C 2.588 179.124 176.519 0.029 0.000 1.231 157 W CA 0.822 58.189 57.345 0.036 0.000 1.248 157 W CB -1.051 28.455 29.460 0.077 0.000 1.117 157 W HN 0.127 nan 8.180 nan 0.000 0.568 158 G N 0.362 109.312 108.800 0.249 0.000 2.402 158 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.216 158 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.216 158 G C 1.665 176.757 174.900 0.320 0.000 1.162 158 G CA 1.187 46.457 45.100 0.283 0.000 0.777 158 G HN 0.279 nan 8.290 nan 0.000 0.539 159 A N 0.271 123.246 122.820 0.259 0.000 1.902 159 A HA -0.017 4.303 4.320 -0.001 0.000 0.217 159 A C 2.518 180.192 177.584 0.151 0.000 1.181 159 A CA 2.453 54.690 52.037 0.333 0.000 0.623 159 A CB -0.932 18.108 19.000 0.068 0.000 0.818 159 A HN 0.294 nan 8.150 nan 0.000 0.443 160 T N -0.430 114.086 114.554 -0.064 0.000 2.643 160 T HA -0.119 4.230 4.350 -0.001 0.000 0.264 160 T C 1.891 176.670 174.700 0.131 0.000 1.045 160 T CA 1.667 63.761 62.100 -0.010 0.000 1.155 160 T CB -0.464 68.442 68.868 0.064 0.000 0.863 160 T HN 0.130 nan 8.240 nan 0.000 0.420 161 V N 1.514 121.527 119.914 0.165 0.000 2.392 161 V HA -0.123 3.996 4.120 -0.001 0.000 0.249 161 V C 2.309 178.453 176.094 0.083 0.000 1.059 161 V CA 1.428 63.809 62.300 0.135 0.000 1.051 161 V CB -0.593 31.309 31.823 0.132 0.000 0.658 161 V HN 0.507 nan 8.190 nan 0.000 0.455 162 I N 0.480 121.073 120.570 0.038 0.000 2.500 162 I HA -0.135 4.035 4.170 -0.001 0.000 0.252 162 I C 2.571 178.782 176.117 0.157 0.000 1.142 162 I CA 1.677 62.925 61.300 -0.087 0.000 1.451 162 I CB -0.804 36.830 38.000 -0.610 0.000 1.093 162 I HN 0.461 nan 8.210 nan 0.000 0.430 163 T N -0.816 113.889 114.554 0.250 0.000 2.857 163 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 163 T C 2.064 176.985 174.700 0.369 0.000 1.048 163 T CA 0.998 63.310 62.100 0.353 0.000 1.139 163 T CB -1.012 68.013 68.868 0.262 0.000 0.874 163 T HN 0.407 nan 8.240 nan 0.000 0.455 164 G N 1.877 110.821 108.800 0.240 0.000 2.450 164 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.220 164 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.220 164 G C 1.484 176.491 174.900 0.178 0.000 1.130 164 G CA 0.674 45.894 45.100 0.200 0.000 0.760 164 G HN 0.517 nan 8.290 nan 0.000 0.557 165 L N -0.789 120.514 121.223 0.134 0.000 2.081 165 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 165 L C 2.565 179.356 176.870 -0.133 0.000 1.080 165 L CA 0.979 55.803 54.840 -0.026 0.000 0.754 165 L CB -0.430 41.530 42.059 -0.166 0.000 0.893 165 L HN 0.186 nan 8.230 nan 0.000 0.433 166 F N -0.457 119.556 119.950 0.106 0.000 2.456 166 F HA 0.028 4.554 4.527 -0.001 0.000 0.298 166 F C 2.287 178.134 175.800 0.079 0.000 1.104 166 F CA 0.760 58.810 58.000 0.083 0.000 1.435 166 F CB -0.672 38.384 39.000 0.093 0.000 1.078 166 F HN -0.031 nan 8.300 nan 0.000 0.546 167 G N -0.604 108.342 108.800 0.243 0.000 3.279 167 G HA2 0.278 4.238 3.960 -0.001 0.000 0.230 167 G HA3 0.278 4.238 3.960 -0.001 0.000 0.230 167 G C 1.197 176.156 174.900 0.099 0.000 1.230 167 G CA 0.559 45.771 45.100 0.186 0.000 0.891 167 G HN 0.363 nan 8.290 nan 0.000 0.518 168 A N -0.097 122.763 122.820 0.067 0.000 2.419 168 A HA 0.476 4.796 4.320 -0.001 0.000 0.233 168 A C 0.772 178.259 177.584 -0.162 0.000 1.217 168 A CA -0.334 51.724 52.037 0.036 0.000 0.944 168 A CB 0.248 19.343 19.000 0.157 0.000 1.025 168 A HN 0.287 nan 8.150 nan 0.000 0.524 169 I N 2.152 122.627 120.570 -0.159 0.000 2.533 169 I HA 0.142 4.312 4.170 -0.001 0.000 0.284 169 I C -2.348 173.535 176.117 -0.391 0.000 1.109 169 I CA -1.746 59.343 61.300 -0.352 0.000 1.412 169 I CB 0.965 38.899 38.000 -0.111 0.000 1.396 169 I HN 0.042 nan 8.210 nan 0.000 0.543 170 P HA 0.055 nan 4.420 nan 0.000 0.265 170 P C 0.817 178.000 177.300 -0.196 0.000 1.193 170 P CA 0.730 63.612 63.100 -0.364 0.000 0.765 170 P CB 0.818 32.282 31.700 -0.393 0.000 0.823 171 G N 3.776 112.503 108.800 -0.121 0.000 5.452 171 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.310 171 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.310 171 G C 1.039 175.912 174.900 -0.046 0.000 1.392 171 G CA 0.456 45.511 45.100 -0.074 0.000 0.942 171 G HN 0.611 nan 8.290 nan 0.000 0.776 172 I N 0.934 121.471 120.570 -0.055 0.000 2.928 172 I HA 0.325 4.494 4.170 -0.001 0.000 0.266 172 I C 2.475 178.592 176.117 -0.000 0.000 1.234 172 I CA 1.507 62.785 61.300 -0.037 0.000 1.483 172 I CB -0.971 36.995 38.000 -0.056 0.000 1.097 172 I HN 0.543 nan 8.210 nan 0.000 0.455 173 G N 1.688 110.490 108.800 0.002 0.000 2.681 173 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.220 173 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.220 173 G C 1.653 176.640 174.900 0.145 0.000 1.210 173 G CA 1.606 46.742 45.100 0.061 0.000 0.783 173 G HN 0.656 nan 8.290 nan 0.000 0.609 174 H N -0.085 119.003 119.070 0.029 0.000 2.489 174 H HA -0.018 4.537 4.556 -0.001 0.000 0.293 174 H C 2.754 178.119 175.328 0.062 0.000 1.066 174 H CA 1.066 57.145 56.048 0.051 0.000 1.305 174 H CB 0.233 30.015 29.762 0.034 0.000 1.386 174 H HN 0.386 nan 8.280 nan 0.000 0.551 175 S N 0.232 115.942 115.700 0.018 0.000 2.335 175 S HA -0.090 4.380 4.470 -0.001 0.000 0.217 175 S C 2.243 176.850 174.600 0.012 0.000 1.032 175 S CA 0.872 59.047 58.200 -0.042 0.000 0.985 175 S CB -0.087 63.086 63.200 -0.044 0.000 0.896 175 S HN 0.329 nan 8.310 nan 0.000 0.445 176 I N 1.655 122.245 120.570 0.034 0.000 2.145 176 I HA -0.325 3.845 4.170 -0.001 0.000 0.244 176 I C 2.796 179.044 176.117 0.217 0.000 1.075 176 I CA 1.738 63.098 61.300 0.099 0.000 1.332 176 I CB -0.457 37.609 38.000 0.110 0.000 1.033 176 I HN 0.438 nan 8.210 nan 0.000 0.410 177 Q N 0.406 120.316 119.800 0.183 0.000 2.124 177 Q HA -0.202 4.138 4.340 -0.001 0.000 0.202 177 Q C 2.037 178.101 176.000 0.107 0.000 0.977 177 Q CA 2.162 58.075 55.803 0.182 0.000 0.850 177 Q CB -0.018 28.854 28.738 0.224 0.000 0.901 177 Q HN 0.412 nan 8.270 nan 0.000 0.429 178 T N -0.247 114.317 114.554 0.018 0.000 2.951 178 T HA -0.135 4.214 4.350 -0.001 0.000 0.268 178 T C 0.743 175.490 174.700 0.077 0.000 1.073 178 T CA 1.049 63.134 62.100 -0.026 0.000 1.134 178 T CB -0.297 68.471 68.868 -0.167 0.000 0.884 178 T HN 0.555 nan 8.240 nan 0.000 0.479 179 W N 1.401 122.656 121.300 -0.075 0.000 2.418 179 W HA 0.131 4.791 4.660 -0.001 0.000 0.292 179 W C 1.531 178.022 176.519 -0.046 0.000 1.213 179 W CA 0.465 57.776 57.345 -0.057 0.000 1.283 179 W CB -0.379 29.048 29.460 -0.055 0.000 1.119 179 W HN 0.119 nan 8.180 nan 0.000 0.542 180 L N 0.348 121.599 121.223 0.046 0.000 2.141 180 L HA -0.176 4.164 4.340 -0.001 0.000 0.209 180 L C 2.155 178.934 176.870 -0.152 0.000 1.094 180 L CA 1.077 55.831 54.840 -0.144 0.000 0.763 180 L CB -0.669 41.393 42.059 0.005 0.000 0.908 180 L HN 0.065 nan 8.230 nan 0.000 0.437 181 L N -0.932 120.238 121.223 -0.087 0.000 2.446 181 L HA 0.166 4.505 4.340 -0.001 0.000 0.219 181 L C 1.602 178.390 176.870 -0.137 0.000 1.116 181 L CA 0.478 55.246 54.840 -0.119 0.000 0.844 181 L CB -0.485 41.545 42.059 -0.048 0.000 0.970 181 L HN 0.411 nan 8.230 nan 0.000 0.457 182 G N 0.442 109.165 108.800 -0.127 0.000 2.212 182 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.267 182 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.267 182 G C 0.442 175.303 174.900 -0.066 0.000 1.002 182 G CA 0.334 45.368 45.100 -0.110 0.000 0.729 182 G HN 0.681 nan 8.290 nan 0.000 0.517 183 G N -1.813 106.960 108.800 -0.045 0.000 2.428 183 G HA2 0.708 4.667 3.960 -0.001 0.000 0.304 183 G HA3 0.708 4.667 3.960 -0.001 0.000 0.304 183 G C -2.126 172.776 174.900 0.003 0.000 1.303 183 G CA 0.291 45.380 45.100 -0.019 0.000 0.825 183 G HN 0.254 nan 8.290 nan 0.000 0.484 184 P HA 0.397 nan 4.420 nan 0.000 0.249 184 P C 0.306 177.653 177.300 0.078 0.000 1.229 184 P CA 1.130 64.268 63.100 0.063 0.000 0.788 184 P CB 0.756 32.497 31.700 0.068 0.000 1.072 185 A N -1.107 121.745 122.820 0.054 0.000 2.536 185 A HA 0.457 4.777 4.320 -0.001 0.000 0.293 185 A C -1.258 176.328 177.584 0.004 0.000 1.119 185 A CA -0.530 51.541 52.037 0.056 0.000 0.654 185 A CB 0.885 19.947 19.000 0.104 0.000 1.291 185 A HN -0.191 nan 8.150 nan 0.000 0.439 186 V N 1.945 121.817 119.914 -0.070 0.000 2.470 186 V HA 0.463 4.583 4.120 -0.001 0.000 0.276 186 V C -0.155 176.003 176.094 0.106 0.000 1.040 186 V CA 0.846 63.047 62.300 -0.164 0.000 1.008 186 V CB 0.775 32.191 31.823 -0.679 0.000 0.990 186 V HN 0.927 nan 8.190 nan 0.000 0.477 187 D N 3.040 123.513 120.400 0.122 0.000 2.921 187 D HA 0.194 4.834 4.640 -0.001 0.000 0.329 187 D C 0.893 177.168 176.300 -0.041 0.000 1.293 187 D CA -0.636 53.467 54.000 0.173 0.000 0.964 187 D CB 1.085 41.924 40.800 0.066 0.000 1.435 187 D HN 0.256 nan 8.370 nan 0.000 0.548 188 N N -0.127 118.461 118.700 -0.186 0.000 2.094 188 N HA -0.172 4.568 4.740 -0.001 0.000 0.191 188 N C 1.505 176.831 175.510 -0.305 0.000 1.023 188 N CA 2.492 55.307 53.050 -0.392 0.000 0.857 188 N CB -0.267 37.943 38.487 -0.460 0.000 1.013 188 N HN 0.362 nan 8.380 nan 0.000 0.426 189 A N -0.955 121.739 122.820 -0.209 0.000 1.940 189 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 189 A C 2.246 179.682 177.584 -0.246 0.000 1.176 189 A CA 2.262 54.187 52.037 -0.186 0.000 0.631 189 A CB -1.147 17.768 19.000 -0.141 0.000 0.814 189 A HN 0.488 nan 8.150 nan 0.000 0.446 190 T N -0.053 114.323 114.554 -0.296 0.000 2.770 190 T HA -0.092 4.258 4.350 -0.001 0.000 0.263 190 T C 1.836 176.171 174.700 -0.608 0.000 1.039 190 T CA 1.269 63.058 62.100 -0.518 0.000 1.142 190 T CB -0.455 68.123 68.868 -0.484 0.000 0.868 190 T HN 0.293 nan 8.240 nan 0.000 0.435 191 L N 2.111 123.094 121.223 -0.399 0.000 1.990 191 L HA -0.092 4.247 4.340 -0.001 0.000 0.213 191 L C 2.027 178.837 176.870 -0.099 0.000 1.072 191 L CA 1.832 56.503 54.840 -0.282 0.000 0.755 191 L CB -1.246 40.425 42.059 -0.646 0.000 0.889 191 L HN 0.278 nan 8.230 nan 0.000 0.432 192 N N -0.884 117.727 118.700 -0.149 0.000 2.149 192 N HA -0.257 4.483 4.740 -0.001 0.000 0.188 192 N C 1.945 177.506 175.510 0.086 0.000 1.019 192 N CA 1.307 54.348 53.050 -0.014 0.000 0.857 192 N CB -0.084 38.355 38.487 -0.079 0.000 0.997 192 N HN 0.516 nan 8.380 nan 0.000 0.426 193 R N -0.880 119.620 120.500 0.000 0.000 2.161 193 R HA -0.008 4.332 4.340 -0.001 0.000 0.213 193 R C 1.242 177.688 176.300 0.244 0.000 1.055 193 R CA 0.592 56.726 56.100 0.057 0.000 0.996 193 R CB -0.362 29.905 30.300 -0.056 0.000 0.901 193 R HN 0.120 nan 8.270 nan 0.000 0.456 194 F N 1.047 121.008 119.950 0.018 0.000 2.186 194 F HA -0.035 4.492 4.527 -0.001 0.000 0.299 194 F C 2.067 177.922 175.800 0.092 0.000 1.090 194 F CA -0.040 57.966 58.000 0.011 0.000 1.307 194 F CB -1.024 37.955 39.000 -0.034 0.000 1.019 194 F HN -0.056 nan 8.300 nan 0.000 0.489 195 F N 0.610 120.713 119.950 0.255 0.000 2.069 195 F HA -0.260 4.266 4.527 -0.001 0.000 0.298 195 F C 2.809 178.755 175.800 0.243 0.000 1.113 195 F CA 1.873 60.018 58.000 0.242 0.000 1.214 195 F CB -1.035 38.113 39.000 0.247 0.000 0.978 195 F HN -0.044 nan 8.300 nan 0.000 0.474 196 S N 0.299 116.004 115.700 0.008 0.000 2.365 196 S HA -0.206 4.264 4.470 -0.001 0.000 0.225 196 S C 2.179 176.742 174.600 -0.061 0.000 1.039 196 S CA 1.849 59.990 58.200 -0.099 0.000 1.033 196 S CB -0.645 62.564 63.200 0.014 0.000 0.887 196 S HN 0.457 nan 8.310 nan 0.000 0.447 197 L N 0.211 121.446 121.223 0.021 0.000 2.141 197 L HA -0.037 4.302 4.340 -0.001 0.000 0.209 197 L C 2.600 179.484 176.870 0.023 0.000 1.094 197 L CA 1.550 56.405 54.840 0.025 0.000 0.763 197 L CB -0.692 41.387 42.059 0.033 0.000 0.908 197 L HN 0.433 nan 8.230 nan 0.000 0.437 198 H N -0.888 118.127 119.070 -0.092 0.000 2.421 198 H HA -0.239 4.316 4.556 -0.000 0.000 0.298 198 H C 2.026 177.280 175.328 -0.124 0.000 1.087 198 H CA 1.674 57.654 56.048 -0.114 0.000 1.330 198 H CB -0.069 29.634 29.762 -0.099 0.000 1.388 198 H HN 0.250 nan 8.280 nan 0.000 0.526 199 Y N -0.068 120.022 120.300 -0.349 0.000 2.184 199 Y HA -0.102 4.448 4.550 -0.000 0.000 0.290 199 Y C 2.362 178.148 175.900 -0.190 0.000 1.129 199 Y CA 1.419 59.303 58.100 -0.359 0.000 1.144 199 Y CB -0.652 37.567 38.460 -0.402 0.000 0.995 199 Y HN 0.340 nan 8.280 nan 0.000 0.513 200 L N -0.331 120.998 121.223 0.177 0.000 2.056 200 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 200 L C 2.137 179.080 176.870 0.123 0.000 1.078 200 L CA 1.583 56.554 54.840 0.218 0.000 0.749 200 L CB -0.907 41.218 42.059 0.109 0.000 0.901 200 L HN 0.251 nan 8.230 nan 0.000 0.433 201 L N -0.207 121.017 121.223 0.003 0.000 2.043 201 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 201 L C -0.057 176.758 176.870 -0.091 0.000 1.075 201 L CA 1.676 56.500 54.840 -0.027 0.000 0.752 201 L CB -1.860 40.181 42.059 -0.030 0.000 0.891 201 L HN 0.282 nan 8.230 nan 0.000 0.432 202 P HA -0.186 nan 4.420 nan 0.000 0.217 202 P C 1.334 178.462 177.300 -0.285 0.000 1.148 202 P CA 1.476 64.378 63.100 -0.329 0.000 0.828 202 P CB -0.026 31.342 31.700 -0.553 0.000 0.783 203 F N -1.531 118.410 119.950 -0.015 0.000 2.259 203 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 203 F C 2.251 178.052 175.800 0.001 0.000 1.088 203 F CA 0.791 58.791 58.000 0.000 0.000 1.358 203 F CB -1.464 37.545 39.000 0.016 0.000 1.040 203 F HN -0.244 nan 8.300 nan 0.000 0.505 204 V N 0.175 120.177 119.914 0.146 0.000 2.379 204 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 204 V C 2.359 178.483 176.094 0.051 0.000 1.044 204 V CA 1.437 63.790 62.300 0.089 0.000 1.036 204 V CB -0.527 31.331 31.823 0.060 0.000 0.664 204 V HN 0.251 nan 8.190 nan 0.000 0.453 205 I N 0.676 121.254 120.570 0.014 0.000 2.163 205 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 205 I C 2.731 178.864 176.117 0.026 0.000 1.085 205 I CA 1.602 62.900 61.300 -0.004 0.000 1.347 205 I CB -0.678 37.302 38.000 -0.033 0.000 1.044 205 I HN 0.306 nan 8.210 nan 0.000 0.408 206 A N 0.899 123.743 122.820 0.039 0.000 1.892 206 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 206 A C 2.552 180.181 177.584 0.074 0.000 1.188 206 A CA 2.243 54.317 52.037 0.063 0.000 0.631 206 A CB -0.938 18.121 19.000 0.099 0.000 0.822 206 A HN 0.464 nan 8.150 nan 0.000 0.447 207 A N -0.622 122.249 122.820 0.085 0.000 1.933 207 A HA 0.001 4.321 4.320 -0.001 0.000 0.218 207 A C 2.191 179.821 177.584 0.076 0.000 1.175 207 A CA 1.460 53.543 52.037 0.076 0.000 0.628 207 A CB -0.560 18.486 19.000 0.076 0.000 0.814 207 A HN 0.476 nan 8.150 nan 0.000 0.444 208 L N -0.641 120.621 121.223 0.064 0.000 2.046 208 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 208 L C 2.508 179.428 176.870 0.084 0.000 1.077 208 L CA 0.979 55.855 54.840 0.060 0.000 0.747 208 L CB -0.489 41.582 42.059 0.021 0.000 0.896 208 L HN 0.237 nan 8.230 nan 0.000 0.432 209 V N 0.093 120.052 119.914 0.076 0.000 2.392 209 V HA -0.331 3.789 4.120 -0.001 0.000 0.249 209 V C 2.734 178.903 176.094 0.125 0.000 1.059 209 V CA 1.766 64.138 62.300 0.121 0.000 1.051 209 V CB -0.879 31.004 31.823 0.100 0.000 0.658 209 V HN 0.502 nan 8.190 nan 0.000 0.455 210 A N 0.044 122.916 122.820 0.086 0.000 1.883 210 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 210 A C 2.146 179.793 177.584 0.105 0.000 1.186 210 A CA 2.144 54.216 52.037 0.059 0.000 0.624 210 A CB -0.548 18.479 19.000 0.046 0.000 0.822 210 A HN 0.507 nan 8.150 nan 0.000 0.444 211 I N -1.466 119.202 120.570 0.164 0.000 2.315 211 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 211 I C 2.453 178.656 176.117 0.144 0.000 1.117 211 I CA 1.619 63.057 61.300 0.230 0.000 1.404 211 I CB -0.439 37.670 38.000 0.182 0.000 1.071 211 I HN 0.531 nan 8.210 nan 0.000 0.419 212 H N 1.327 120.405 119.070 0.014 0.000 2.289 212 H HA -0.199 4.356 4.556 -0.001 0.000 0.296 212 H C 2.168 177.372 175.328 -0.206 0.000 1.091 212 H CA 2.080 58.129 56.048 0.001 0.000 1.274 212 H CB -0.260 29.550 29.762 0.080 0.000 1.364 212 H HN 0.210 nan 8.280 nan 0.000 0.490 213 I N -0.895 119.480 120.570 -0.325 0.000 2.118 213 I HA -0.336 3.834 4.170 -0.001 0.000 0.241 213 I C 2.286 177.769 176.117 -1.057 0.000 1.070 213 I CA 1.458 62.139 61.300 -1.031 0.000 1.327 213 I CB -0.451 37.240 38.000 -0.515 0.000 1.034 213 I HN 0.446 nan 8.210 nan 0.000 0.405 214 W N 1.996 122.945 121.300 -0.584 0.000 2.321 214 W HA -0.280 4.380 4.660 -0.001 0.000 0.306 214 W C 2.555 178.892 176.519 -0.303 0.000 1.217 214 W CA 1.764 58.901 57.345 -0.346 0.000 1.257 214 W CB -0.813 28.551 29.460 -0.160 0.000 1.145 214 W HN 0.173 nan 8.180 nan 0.000 0.509 215 A N 0.865 123.544 122.820 -0.234 0.000 1.859 215 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 215 A C 2.043 179.558 177.584 -0.115 0.000 1.198 215 A CA 2.568 54.472 52.037 -0.222 0.000 0.629 215 A CB -1.831 17.111 19.000 -0.097 0.000 0.830 215 A HN 0.543 nan 8.150 nan 0.000 0.446 216 F N -1.383 118.531 119.950 -0.060 0.000 2.502 216 F HA 0.077 4.604 4.527 -0.000 0.000 0.298 216 F C 1.846 177.718 175.800 0.120 0.000 1.111 216 F CA 1.134 59.131 58.000 -0.006 0.000 1.445 216 F CB -1.232 37.732 39.000 -0.061 0.000 1.081 216 F HN 0.391 nan 8.300 nan 0.000 0.558 217 H N -0.351 118.690 119.070 -0.047 0.000 2.462 217 H HA -0.030 4.526 4.556 -0.001 0.000 0.292 217 H C 1.943 177.341 175.328 0.118 0.000 1.049 217 H CA 0.696 56.798 56.048 0.090 0.000 1.334 217 H CB 0.255 30.027 29.762 0.017 0.000 1.404 217 H HN 0.314 nan 8.280 nan 0.000 0.544 218 S N -0.408 115.410 115.700 0.198 0.000 2.406 218 S HA -0.116 4.354 4.470 -0.001 0.000 0.228 218 S C 2.260 176.919 174.600 0.098 0.000 1.020 218 S CA 1.584 59.855 58.200 0.119 0.000 0.965 218 S CB -0.041 63.147 63.200 -0.021 0.000 0.798 218 S HN 0.625 nan 8.310 nan 0.000 0.488 219 T N -1.686 112.937 114.554 0.115 0.000 3.015 219 T HA 0.509 4.858 4.350 -0.001 0.000 0.250 219 T C 0.932 175.704 174.700 0.120 0.000 1.057 219 T CA 0.465 62.624 62.100 0.098 0.000 1.066 219 T CB 0.187 69.107 68.868 0.086 0.000 0.959 219 T HN 0.643 nan 8.240 nan 0.000 0.488 220 G N 1.732 110.639 108.800 0.178 0.000 2.712 220 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.686 220 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.686 220 G C -1.052 173.947 174.900 0.165 0.000 1.181 220 G CA -0.895 44.305 45.100 0.168 0.000 0.762 220 G HN 0.500 nan 8.290 nan 0.000 0.641 221 N N 0.468 119.250 118.700 0.136 0.000 2.508 221 N HA 0.222 4.961 4.740 -0.001 0.000 0.264 221 N C 0.421 175.989 175.510 0.097 0.000 1.216 221 N CA -0.158 52.941 53.050 0.083 0.000 0.943 221 N CB 0.906 39.401 38.487 0.014 0.000 1.113 221 N HN 0.735 nan 8.380 nan 0.000 0.447 222 N N 0.525 119.322 118.700 0.161 0.000 2.524 222 N HA 0.073 4.812 4.740 -0.001 0.000 0.283 222 N C -0.840 174.818 175.510 0.247 0.000 1.142 222 N CA -0.428 52.727 53.050 0.175 0.000 0.984 222 N CB 0.588 39.175 38.487 0.166 0.000 1.155 222 N HN 0.625 nan 8.380 nan 0.000 0.467 223 N N 1.218 119.950 118.700 0.053 0.000 2.525 223 N HA 0.545 5.285 4.740 -0.001 0.000 0.288 223 N C -2.417 172.996 175.510 -0.162 0.000 1.242 223 N CA -1.548 51.333 53.050 -0.282 0.000 0.905 223 N CB 0.958 39.273 38.487 -0.287 0.000 1.258 223 N HN 0.243 nan 8.380 nan 0.000 0.551 224 P HA -0.088 nan 4.420 nan 0.000 0.226 224 P C 0.517 177.969 177.300 0.252 0.000 1.146 224 P CA 1.350 64.408 63.100 -0.070 0.000 0.773 224 P CB -0.018 31.574 31.700 -0.181 0.000 0.772 225 T N -6.392 108.265 114.554 0.171 0.000 3.040 225 T HA 0.309 4.659 4.350 -0.001 0.000 0.250 225 T C 1.649 176.540 174.700 0.317 0.000 1.058 225 T CA 0.496 62.795 62.100 0.332 0.000 0.988 225 T CB -0.721 68.308 68.868 0.270 0.000 0.993 225 T HN 0.170 nan 8.240 nan 0.000 0.519 226 G N 1.094 110.008 108.800 0.190 0.000 2.196 226 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.268 226 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.268 226 G C 0.093 175.037 174.900 0.074 0.000 0.975 226 G CA 0.276 45.448 45.100 0.120 0.000 0.648 226 G HN 0.770 nan 8.290 nan 0.000 0.538 227 V N 1.749 121.707 119.914 0.074 0.000 2.406 227 V HA 0.402 4.521 4.120 -0.001 0.000 0.272 227 V C 0.695 176.801 176.094 0.020 0.000 1.043 227 V CA -1.130 61.190 62.300 0.033 0.000 0.915 227 V CB 1.540 33.377 31.823 0.023 0.000 0.988 227 V HN 0.288 nan 8.190 nan 0.000 0.466 228 E N 2.602 122.810 120.200 0.012 0.000 2.425 228 E HA 0.162 4.512 4.350 -0.001 0.000 0.258 228 E C -0.075 176.531 176.600 0.011 0.000 1.151 228 E CA -0.154 56.254 56.400 0.013 0.000 0.958 228 E CB 1.109 30.816 29.700 0.012 0.000 0.968 228 E HN 0.394 nan 8.360 nan 0.000 0.451 229 V N 2.425 122.348 119.914 0.015 0.000 2.811 229 V HA 0.035 4.155 4.120 -0.001 0.000 0.302 229 V C 1.013 177.118 176.094 0.017 0.000 1.063 229 V CA 0.071 62.380 62.300 0.016 0.000 1.088 229 V CB 0.557 32.396 31.823 0.026 0.000 0.982 229 V HN 0.459 nan 8.190 nan 0.000 0.485 230 R N 3.713 124.223 120.500 0.016 0.000 2.491 230 R HA 0.306 4.646 4.340 -0.001 0.000 0.283 230 R C 0.448 176.758 176.300 0.017 0.000 1.072 230 R CA -0.106 56.002 56.100 0.014 0.000 1.048 230 R CB 0.477 30.784 30.300 0.013 0.000 0.983 230 R HN 0.608 nan 8.270 nan 0.000 0.450 231 R N 1.353 121.861 120.500 0.013 0.000 2.662 231 R HA 0.081 4.421 4.340 -0.001 0.000 0.396 231 R C 0.474 176.778 176.300 0.006 0.000 1.096 231 R CA 0.039 56.146 56.100 0.011 0.000 1.081 231 R CB 0.785 31.091 30.300 0.010 0.000 1.382 231 R HN 0.656 nan 8.270 nan 0.000 0.580 232 T N -2.038 112.520 114.554 0.008 0.000 3.065 232 T HA 0.044 4.394 4.350 -0.001 0.000 0.252 232 T C 0.688 175.392 174.700 0.007 0.000 1.099 232 T CA 0.219 62.322 62.100 0.006 0.000 1.063 232 T CB 0.178 69.049 68.868 0.005 0.000 0.948 232 T HN 0.195 nan 8.240 nan 0.000 0.506 233 S N -0.400 115.307 115.700 0.011 0.000 2.602 233 S HA 0.337 4.806 4.470 -0.001 0.000 0.301 233 S C 0.127 174.741 174.600 0.023 0.000 1.091 233 S CA -1.117 57.092 58.200 0.015 0.000 0.895 233 S CB 1.399 64.608 63.200 0.014 0.000 1.090 233 S HN 0.112 nan 8.310 nan 0.000 0.449 234 K N 1.681 122.099 120.400 0.029 0.000 2.127 234 K HA -0.202 4.117 4.320 -0.001 0.000 0.208 234 K C 2.347 178.972 176.600 0.043 0.000 1.047 234 K CA 1.761 58.076 56.287 0.046 0.000 0.927 234 K CB -0.700 31.835 32.500 0.059 0.000 0.716 234 K HN 0.741 nan 8.250 nan 0.000 0.450 235 A N 2.719 125.559 122.820 0.033 0.000 1.859 235 A HA -0.283 4.037 4.320 -0.001 0.000 0.218 235 A C 2.143 179.743 177.584 0.026 0.000 1.209 235 A CA 2.259 54.313 52.037 0.028 0.000 0.639 235 A CB -0.653 18.360 19.000 0.022 0.000 0.835 235 A HN 0.594 nan 8.150 nan 0.000 0.450 236 E N -0.490 119.724 120.200 0.022 0.000 2.299 236 E HA 0.210 4.559 4.350 -0.001 0.000 0.193 236 E C 1.924 178.538 176.600 0.024 0.000 0.998 236 E CA 0.697 57.109 56.400 0.021 0.000 0.851 236 E CB -0.323 29.387 29.700 0.016 0.000 0.795 236 E HN 0.512 nan 8.360 nan 0.000 0.492 237 A N 1.896 124.734 122.820 0.029 0.000 1.933 237 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 237 A C 2.138 179.745 177.584 0.038 0.000 1.175 237 A CA 1.435 53.494 52.037 0.036 0.000 0.628 237 A CB -0.442 18.585 19.000 0.045 0.000 0.814 237 A HN 0.252 nan 8.150 nan 0.000 0.444 238 Q N -0.514 119.310 119.800 0.039 0.000 2.369 238 Q HA -0.064 4.275 4.340 -0.001 0.000 0.206 238 Q C 1.725 177.736 176.000 0.019 0.000 0.963 238 Q CA 1.033 56.855 55.803 0.033 0.000 0.894 238 Q CB -0.064 28.697 28.738 0.039 0.000 0.965 238 Q HN 0.656 nan 8.270 nan 0.000 0.475 239 K N 0.462 120.876 120.400 0.023 0.000 2.155 239 K HA -0.100 4.220 4.320 -0.001 0.000 0.203 239 K C 1.097 177.717 176.600 0.034 0.000 1.052 239 K CA 1.060 57.364 56.287 0.028 0.000 0.948 239 K CB 0.214 32.730 32.500 0.026 0.000 0.728 239 K HN 0.161 nan 8.250 nan 0.000 0.448 240 D N 0.229 120.641 120.400 0.020 0.000 2.301 240 D HA -0.034 4.606 4.640 -0.001 0.000 0.206 240 D C 1.080 177.362 176.300 -0.030 0.000 0.979 240 D CA 0.848 54.852 54.000 0.007 0.000 0.874 240 D CB 0.388 41.193 40.800 0.008 0.000 0.968 240 D HN 0.286 nan 8.370 nan 0.000 0.510 241 T N -1.405 113.137 114.554 -0.021 0.000 2.841 241 T HA 0.640 4.989 4.350 -0.001 0.000 0.276 241 T C -0.090 174.562 174.700 -0.081 0.000 1.003 241 T CA -0.829 61.253 62.100 -0.031 0.000 0.995 241 T CB 2.141 71.028 68.868 0.032 0.000 1.260 241 T HN -0.082 nan 8.240 nan 0.000 0.581 242 V N -2.731 117.138 119.914 -0.075 0.000 2.969 242 V HA 0.752 4.872 4.120 -0.001 0.000 0.304 242 V C -3.196 172.927 176.094 0.049 0.000 1.192 242 V CA -2.640 59.557 62.300 -0.172 0.000 0.962 242 V CB 1.868 33.325 31.823 -0.610 0.000 1.045 242 V HN 0.932 nan 8.190 nan 0.000 0.428 243 P HA 0.108 nan 4.420 nan 0.000 0.268 243 P C 0.544 178.036 177.300 0.320 0.000 1.205 243 P CA 0.118 63.351 63.100 0.221 0.000 0.771 243 P CB 0.792 32.604 31.700 0.187 0.000 0.858 244 F N 2.991 123.077 119.950 0.226 0.000 2.120 244 F HA -0.083 4.444 4.527 -0.001 0.000 0.300 244 F C 0.984 176.971 175.800 0.312 0.000 1.095 244 F CA 1.168 59.366 58.000 0.330 0.000 1.249 244 F CB -0.100 39.055 39.000 0.258 0.000 0.995 244 F HN 0.360 nan 8.300 nan 0.000 0.480 245 W N 3.174 124.523 121.300 0.082 0.000 2.433 245 W HA 0.263 4.923 4.660 -0.001 0.000 0.315 245 W C -2.176 174.255 176.519 -0.148 0.000 1.087 245 W CA -1.963 55.343 57.345 -0.065 0.000 1.205 245 W CB 1.367 30.835 29.460 0.013 0.000 1.288 245 W HN -0.109 nan 8.180 nan 0.000 0.504 246 P HA -0.045 nan 4.420 nan 0.000 0.264 246 P C 0.766 177.555 177.300 -0.851 0.000 1.259 246 P CA 0.615 62.792 63.100 -1.539 0.000 0.841 246 P CB 0.346 30.837 31.700 -2.016 0.000 1.232 247 Y N 0.165 120.130 120.300 -0.559 0.000 2.014 247 Y HA -0.218 4.332 4.550 -0.001 0.000 0.272 247 Y C 2.237 177.738 175.900 -0.665 0.000 1.164 247 Y CA 1.833 59.570 58.100 -0.605 0.000 1.114 247 Y CB -1.776 36.261 38.460 -0.705 0.000 0.961 247 Y HN -0.140 nan 8.280 nan 0.000 0.489 248 F N -1.527 118.193 119.950 -0.383 0.000 2.416 248 F HA -0.056 4.470 4.527 -0.001 0.000 0.296 248 F C 2.251 177.716 175.800 -0.559 0.000 1.099 248 F CA 0.135 57.796 58.000 -0.566 0.000 1.427 248 F CB -0.556 37.967 39.000 -0.795 0.000 1.079 248 F HN 0.018 nan 8.300 nan 0.000 0.536 249 I N -0.475 119.849 120.570 -0.409 0.000 2.226 249 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 249 I C 2.316 178.467 176.117 0.057 0.000 1.100 249 I CA 1.547 62.836 61.300 -0.019 0.000 1.374 249 I CB -0.666 37.553 38.000 0.365 0.000 1.057 249 I HN 0.081 nan 8.210 nan 0.000 0.413 250 I N 0.757 121.303 120.570 -0.039 0.000 2.202 250 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 250 I C 2.551 178.723 176.117 0.092 0.000 1.091 250 I CA 1.427 62.728 61.300 0.001 0.000 1.368 250 I CB -0.533 37.393 38.000 -0.122 0.000 1.058 250 I HN 0.094 nan 8.210 nan 0.000 0.410 251 K N 0.230 120.669 120.400 0.064 0.000 2.147 251 K HA -0.209 4.111 4.320 -0.001 0.000 0.205 251 K C 1.614 178.319 176.600 0.174 0.000 1.049 251 K CA 1.504 57.898 56.287 0.179 0.000 0.936 251 K CB -0.083 32.434 32.500 0.029 0.000 0.722 251 K HN 0.269 nan 8.250 nan 0.000 0.446 252 D N 0.246 120.718 120.400 0.120 0.000 2.084 252 D HA -0.149 4.491 4.640 -0.001 0.000 0.194 252 D C 1.935 178.298 176.300 0.105 0.000 0.990 252 D CA 1.190 55.253 54.000 0.106 0.000 0.826 252 D CB -0.274 40.614 40.800 0.146 0.000 0.971 252 D HN -0.006 nan 8.370 nan 0.000 0.453 253 V N 1.370 121.367 119.914 0.138 0.000 2.332 253 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 253 V C 2.214 178.417 176.094 0.183 0.000 1.055 253 V CA 1.307 63.688 62.300 0.133 0.000 1.038 253 V CB -0.644 31.263 31.823 0.140 0.000 0.651 253 V HN 0.095 nan 8.190 nan 0.000 0.450 254 F N 2.118 122.111 119.950 0.071 0.000 2.075 254 F HA -0.139 4.388 4.527 -0.001 0.000 0.297 254 F C 2.311 178.169 175.800 0.097 0.000 1.113 254 F CA 1.360 59.412 58.000 0.088 0.000 1.218 254 F CB -1.081 38.000 39.000 0.135 0.000 0.984 254 F HN 0.085 nan 8.300 nan 0.000 0.472 255 A N 1.012 123.744 122.820 -0.147 0.000 1.908 255 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 255 A C 2.466 179.940 177.584 -0.185 0.000 1.181 255 A CA 1.898 53.774 52.037 -0.268 0.000 0.627 255 A CB -1.349 17.601 19.000 -0.083 0.000 0.818 255 A HN 0.520 nan 8.150 nan 0.000 0.445 256 L N -0.893 120.271 121.223 -0.099 0.000 2.079 256 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 256 L C 3.093 179.900 176.870 -0.106 0.000 1.081 256 L CA 1.060 55.819 54.840 -0.136 0.000 0.752 256 L CB -0.439 41.538 42.059 -0.136 0.000 0.896 256 L HN 0.471 nan 8.230 nan 0.000 0.433 257 A N -0.556 122.255 122.820 -0.014 0.000 1.902 257 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 257 A C 2.255 179.868 177.584 0.049 0.000 1.181 257 A CA 1.805 53.869 52.037 0.045 0.000 0.623 257 A CB -0.748 18.332 19.000 0.133 0.000 0.818 257 A HN 0.219 nan 8.150 nan 0.000 0.443 258 V N -0.424 119.488 119.914 -0.003 0.000 2.358 258 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 258 V C 2.535 178.642 176.094 0.022 0.000 1.047 258 V CA 1.857 64.149 62.300 -0.013 0.000 1.035 258 V CB -0.934 30.792 31.823 -0.161 0.000 0.658 258 V HN 0.351 nan 8.190 nan 0.000 0.452 259 V N 0.006 119.913 119.914 -0.011 0.000 2.295 259 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 259 V C 2.355 178.534 176.094 0.141 0.000 1.049 259 V CA 1.954 64.289 62.300 0.059 0.000 1.024 259 V CB -0.576 31.251 31.823 0.006 0.000 0.648 259 V HN 0.440 nan 8.190 nan 0.000 0.447 260 L N -0.515 120.770 121.223 0.104 0.000 2.191 260 L HA -0.174 4.166 4.340 -0.001 0.000 0.212 260 L C 2.476 179.604 176.870 0.430 0.000 1.103 260 L CA 1.012 56.030 54.840 0.296 0.000 0.769 260 L CB -0.654 41.527 42.059 0.203 0.000 0.908 260 L HN 0.382 nan 8.230 nan 0.000 0.438 261 L N -0.069 121.308 121.223 0.257 0.000 1.994 261 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 261 L C 2.389 179.407 176.870 0.246 0.000 1.071 261 L CA 1.841 56.818 54.840 0.229 0.000 0.745 261 L CB -0.695 41.450 42.059 0.143 0.000 0.892 261 L HN -0.069 nan 8.230 nan 0.000 0.431 262 V N -0.384 119.660 119.914 0.216 0.000 2.295 262 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 262 V C 2.391 178.631 176.094 0.244 0.000 1.049 262 V CA 1.941 64.363 62.300 0.203 0.000 1.024 262 V CB -1.108 30.823 31.823 0.181 0.000 0.648 262 V HN 0.521 nan 8.190 nan 0.000 0.447 263 F N 0.799 120.818 119.950 0.116 0.000 2.095 263 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 263 F C 2.050 177.836 175.800 -0.024 0.000 1.104 263 F CA 1.562 59.587 58.000 0.041 0.000 1.232 263 F CB -0.646 38.353 39.000 -0.002 0.000 0.987 263 F HN 0.136 nan 8.300 nan 0.000 0.475 264 F N 0.279 120.179 119.950 -0.083 0.000 2.234 264 F HA -0.034 4.492 4.527 -0.001 0.000 0.299 264 F C 2.527 178.242 175.800 -0.141 0.000 1.087 264 F CA 1.159 59.034 58.000 -0.207 0.000 1.340 264 F CB -1.146 37.827 39.000 -0.046 0.000 1.031 264 F HN 0.079 nan 8.300 nan 0.000 0.500 265 A N 0.249 123.173 122.820 0.173 0.000 1.933 265 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 265 A C 2.236 179.904 177.584 0.140 0.000 1.175 265 A CA 1.375 53.565 52.037 0.255 0.000 0.628 265 A CB -0.728 18.432 19.000 0.267 0.000 0.814 265 A HN 0.236 nan 8.150 nan 0.000 0.444 266 I N 0.024 120.610 120.570 0.026 0.000 2.142 266 I HA -0.178 3.991 4.170 -0.001 0.000 0.240 266 I C 2.520 178.549 176.117 -0.147 0.000 1.078 266 I CA 1.329 62.618 61.300 -0.017 0.000 1.343 266 I CB -1.438 36.577 38.000 0.024 0.000 1.046 266 I HN 0.154 nan 8.210 nan 0.000 0.405 267 V N 1.316 121.029 119.914 -0.336 0.000 2.407 267 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 267 V C 2.662 178.585 176.094 -0.286 0.000 1.055 267 V CA 1.968 64.053 62.300 -0.358 0.000 1.049 267 V CB -1.511 29.977 31.823 -0.558 0.000 0.662 267 V HN 0.526 nan 8.190 nan 0.000 0.455 268 G N -0.725 107.863 108.800 -0.353 0.000 2.394 268 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.214 268 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.214 268 G C 1.308 175.728 174.900 -0.800 0.000 1.176 268 G CA 0.826 45.554 45.100 -0.620 0.000 0.786 268 G HN 0.509 nan 8.290 nan 0.000 0.533 269 F N -0.050 119.890 119.950 -0.016 0.000 2.559 269 F HA 0.379 4.906 4.527 -0.000 0.000 0.286 269 F C 1.707 177.474 175.800 -0.054 0.000 1.108 269 F CA 0.101 58.085 58.000 -0.027 0.000 1.436 269 F CB 0.200 39.188 39.000 -0.020 0.000 1.130 269 F HN 0.070 nan 8.300 nan 0.000 0.584 270 M N 0.104 119.730 119.600 0.043 0.000 3.287 270 M HA 0.415 4.895 4.480 -0.001 0.000 0.336 270 M C -2.376 173.906 176.300 -0.030 0.000 1.573 270 M CA -1.284 54.024 55.300 0.013 0.000 0.609 270 M CB 0.824 33.427 32.600 0.005 0.000 1.421 270 M HN -0.266 nan 8.290 nan 0.000 0.476 271 P HA -0.127 nan 4.420 nan 0.000 0.219 271 P C 0.210 177.398 177.300 -0.187 0.000 1.146 271 P CA 1.427 64.298 63.100 -0.381 0.000 0.808 271 P CB 0.049 31.094 31.700 -1.092 0.000 0.779 272 N N -1.870 116.805 118.700 -0.042 0.000 2.230 272 N HA -0.007 4.733 4.740 -0.001 0.000 0.202 272 N C 1.319 176.946 175.510 0.194 0.000 1.119 272 N CA -0.239 52.898 53.050 0.145 0.000 0.851 272 N CB -0.414 38.217 38.487 0.240 0.000 0.990 272 N HN 0.137 nan 8.380 nan 0.000 0.497 273 Y N 1.711 122.036 120.300 0.041 0.000 2.114 273 Y HA 0.007 4.556 4.550 -0.001 0.000 0.284 273 Y C 1.579 177.508 175.900 0.048 0.000 1.143 273 Y CA 1.393 59.515 58.100 0.035 0.000 1.135 273 Y CB -0.314 38.154 38.460 0.013 0.000 0.980 273 Y HN -0.041 nan 8.280 nan 0.000 0.499 274 L N 0.715 121.931 121.223 -0.012 0.000 2.693 274 L HA 0.153 4.493 4.340 -0.001 0.000 0.242 274 L C 0.961 177.883 176.870 0.087 0.000 1.157 274 L CA 0.147 54.953 54.840 -0.056 0.000 0.929 274 L CB -1.137 40.992 42.059 0.117 0.000 1.103 274 L HN 0.270 nan 8.230 nan 0.000 0.430 275 G N -2.297 106.548 108.800 0.076 0.000 2.932 275 G HA2 0.325 4.285 3.960 -0.001 0.000 0.283 275 G HA3 0.325 4.285 3.960 -0.001 0.000 0.283 275 G C -1.518 173.458 174.900 0.126 0.000 1.336 275 G CA -0.351 44.835 45.100 0.143 0.000 1.056 275 G HN 0.030 nan 8.290 nan 0.000 0.522 276 H N 0.333 119.466 119.070 0.106 0.000 2.638 276 H HA 0.369 4.925 4.556 -0.000 0.000 0.317 276 H C -1.716 173.690 175.328 0.131 0.000 1.006 276 H CA -1.920 54.190 56.048 0.104 0.000 1.222 276 H CB 2.337 32.168 29.762 0.116 0.000 1.419 276 H HN 0.078 nan 8.280 nan 0.000 0.489 277 P HA -0.161 nan 4.420 nan 0.000 0.217 277 P C 0.909 178.461 177.300 0.420 0.000 1.148 277 P CA 1.102 64.443 63.100 0.402 0.000 0.834 277 P CB 0.518 32.382 31.700 0.273 0.000 0.783 278 D N -1.584 119.106 120.400 0.483 0.000 2.264 278 D HA -0.106 4.534 4.640 -0.001 0.000 0.208 278 D C 1.396 177.788 176.300 0.154 0.000 0.966 278 D CA 0.816 54.968 54.000 0.254 0.000 0.864 278 D CB -0.733 40.131 40.800 0.106 0.000 0.933 278 D HN 0.112 nan 8.370 nan 0.000 0.499 279 N N -0.378 118.387 118.700 0.109 0.000 2.515 279 N HA -0.099 4.641 4.740 -0.001 0.000 0.191 279 N C 0.124 175.693 175.510 0.098 0.000 1.182 279 N CA 0.173 53.237 53.050 0.024 0.000 0.879 279 N CB -0.127 38.298 38.487 -0.103 0.000 0.984 279 N HN 0.161 nan 8.380 nan 0.000 0.453 280 Y N -0.452 120.020 120.300 0.285 0.000 2.524 280 Y HA 0.397 4.947 4.550 -0.001 0.000 0.266 280 Y C 0.027 176.152 175.900 0.375 0.000 1.180 280 Y CA -0.326 57.990 58.100 0.361 0.000 1.244 280 Y CB 0.273 38.885 38.460 0.253 0.000 1.125 280 Y HN -0.060 nan 8.280 nan 0.000 0.524 281 I N 0.383 121.146 120.570 0.322 0.000 2.433 281 I HA 0.212 4.382 4.170 -0.001 0.000 0.292 281 I C -0.266 175.725 176.117 -0.211 0.000 1.001 281 I CA -1.001 60.337 61.300 0.064 0.000 1.119 281 I CB 1.792 39.834 38.000 0.070 0.000 1.289 281 I HN -0.006 nan 8.210 nan 0.000 0.438 282 E N 4.309 124.161 120.200 -0.579 0.000 2.413 282 E HA 0.237 4.586 4.350 -0.001 0.000 0.263 282 E C 0.148 176.511 176.600 -0.395 0.000 1.015 282 E CA -0.396 55.550 56.400 -0.756 0.000 0.916 282 E CB 0.561 29.839 29.700 -0.702 0.000 0.947 282 E HN 0.673 nan 8.360 nan 0.000 0.440 283 A N 3.792 126.359 122.820 -0.421 0.000 2.567 283 A HA -0.056 4.264 4.320 -0.001 0.000 0.240 283 A C 0.131 177.387 177.584 -0.547 0.000 1.053 283 A CA 0.082 51.774 52.037 -0.575 0.000 0.755 283 A CB -0.008 18.355 19.000 -1.062 0.000 0.978 283 A HN 0.549 nan 8.150 nan 0.000 0.507 284 N N 3.442 121.860 118.700 -0.471 0.000 2.524 284 N HA 0.332 5.071 4.740 -0.001 0.000 0.261 284 N C -2.179 173.097 175.510 -0.391 0.000 0.998 284 N CA -2.142 50.719 53.050 -0.315 0.000 0.915 284 N CB 1.978 40.419 38.487 -0.077 0.000 1.187 284 N HN 0.307 nan 8.380 nan 0.000 0.507 285 P HA 0.029 nan 4.420 nan 0.000 0.242 285 P C 0.558 177.959 177.300 0.167 0.000 1.197 285 P CA 0.538 63.331 63.100 -0.511 0.000 0.765 285 P CB 0.488 31.893 31.700 -0.492 0.000 0.936 286 L N -1.439 119.870 121.223 0.144 0.000 2.808 286 L HA 0.284 4.624 4.340 -0.001 0.000 0.246 286 L C 0.737 177.689 176.870 0.137 0.000 1.153 286 L CA 0.075 55.008 54.840 0.155 0.000 0.956 286 L CB 0.315 42.409 42.059 0.058 0.000 1.270 286 L HN -0.021 nan 8.230 nan 0.000 0.528 287 S N -0.445 115.382 115.700 0.212 0.000 2.548 287 S HA 0.438 4.907 4.470 -0.001 0.000 0.278 287 S C -0.708 173.837 174.600 -0.091 0.000 1.150 287 S CA -0.345 57.865 58.200 0.016 0.000 0.907 287 S CB 1.951 65.155 63.200 0.007 0.000 1.108 287 S HN -0.001 nan 8.310 nan 0.000 0.459 288 T N 5.446 119.711 114.554 -0.483 0.000 2.758 288 T HA 0.535 4.885 4.350 -0.001 0.000 0.285 288 T C -2.727 171.765 174.700 -0.347 0.000 0.981 288 T CA -0.985 60.630 62.100 -0.809 0.000 0.965 288 T CB 1.130 69.299 68.868 -1.165 0.000 0.927 288 T HN 0.479 nan 8.240 nan 0.000 0.448 289 P HA 0.093 nan 4.420 nan 0.000 0.260 289 P C 0.682 177.886 177.300 -0.159 0.000 1.172 289 P CA -0.055 62.987 63.100 -0.098 0.000 0.760 289 P CB 0.369 32.067 31.700 -0.003 0.000 0.773 290 A N 3.817 126.494 122.820 -0.238 0.000 2.032 290 A HA -0.215 4.105 4.320 -0.001 0.000 0.221 290 A C 1.151 178.503 177.584 -0.386 0.000 1.165 290 A CA 1.500 53.318 52.037 -0.365 0.000 0.645 290 A CB -0.859 17.828 19.000 -0.520 0.000 0.807 290 A HN 0.627 nan 8.150 nan 0.000 0.453 291 H N -1.432 117.664 119.070 0.044 0.000 2.487 291 H HA 0.305 4.861 4.556 -0.001 0.000 0.290 291 H C 0.356 175.784 175.328 0.166 0.000 1.081 291 H CA -0.865 55.236 56.048 0.088 0.000 1.116 291 H CB -0.605 29.218 29.762 0.102 0.000 1.560 291 H HN 0.537 nan 8.280 nan 0.000 0.548 292 I N 1.660 122.302 120.570 0.119 0.000 2.993 292 I HA -0.075 4.095 4.170 -0.001 0.000 0.301 292 I C -0.565 175.611 176.117 0.099 0.000 1.229 292 I CA 0.674 62.000 61.300 0.043 0.000 1.435 292 I CB 0.323 38.310 38.000 -0.022 0.000 1.328 292 I HN -0.160 nan 8.210 nan 0.000 0.584 293 V N 6.757 126.706 119.914 0.058 0.000 2.823 293 V HA 0.261 4.380 4.120 -0.001 0.000 0.296 293 V C -2.233 173.780 176.094 -0.136 0.000 1.250 293 V CA -1.036 61.244 62.300 -0.034 0.000 0.939 293 V CB 1.557 33.425 31.823 0.076 0.000 1.062 293 V HN 0.720 nan 8.190 nan 0.000 0.433 294 P HA 0.149 nan 4.420 nan 0.000 0.271 294 P C -0.455 176.649 177.300 -0.327 0.000 1.233 294 P CA -0.209 62.676 63.100 -0.357 0.000 0.795 294 P CB 0.481 31.865 31.700 -0.526 0.000 0.936 295 E N 0.674 120.576 120.200 -0.497 0.000 2.360 295 E HA -0.031 4.319 4.350 -0.001 0.000 0.269 295 E C 1.134 177.233 176.600 -0.835 0.000 1.022 295 E CA -0.124 55.762 56.400 -0.857 0.000 0.887 295 E CB -0.099 28.639 29.700 -1.604 0.000 0.990 295 E HN 0.538 nan 8.360 nan 0.000 0.426 296 W N 4.468 125.431 121.300 -0.561 0.000 2.290 296 W HA -0.365 4.295 4.660 -0.000 0.000 0.311 296 W C 0.990 177.362 176.519 -0.245 0.000 1.238 296 W CA 1.496 58.644 57.345 -0.328 0.000 1.255 296 W CB -1.066 28.277 29.460 -0.194 0.000 1.145 296 W HN 0.759 nan 8.180 nan 0.000 0.506 297 Y N -2.313 117.019 120.300 -1.613 0.000 2.639 297 Y HA 0.047 4.596 4.550 -0.000 0.000 0.297 297 Y C 1.692 177.318 175.900 -0.457 0.000 1.151 297 Y CA 0.319 57.632 58.100 -1.312 0.000 1.335 297 Y CB -1.807 35.493 38.460 -1.934 0.000 0.994 297 Y HN -0.192 nan 8.280 nan 0.000 0.548 298 F N -0.269 119.396 119.950 -0.476 0.000 2.717 298 F HA 0.229 4.756 4.527 -0.001 0.000 0.295 298 F C 1.837 177.567 175.800 -0.116 0.000 1.117 298 F CA -0.917 56.955 58.000 -0.213 0.000 1.361 298 F CB -0.575 38.234 39.000 -0.319 0.000 1.112 298 F HN 0.115 nan 8.300 nan 0.000 0.594 299 L N 1.465 122.686 121.223 -0.004 0.000 1.990 299 L HA -0.218 4.121 4.340 -0.001 0.000 0.213 299 L C -0.018 176.814 176.870 -0.063 0.000 1.072 299 L CA 1.903 56.738 54.840 -0.008 0.000 0.755 299 L CB -2.083 39.947 42.059 -0.049 0.000 0.889 299 L HN 0.019 nan 8.230 nan 0.000 0.432 300 P HA -0.233 nan 4.420 nan 0.000 0.216 300 P C 1.543 178.504 177.300 -0.565 0.000 1.153 300 P CA 1.934 64.677 63.100 -0.594 0.000 0.858 300 P CB -0.168 30.834 31.700 -1.162 0.000 0.789 301 F N -1.823 118.006 119.950 -0.201 0.000 2.325 301 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 301 F C 2.722 178.439 175.800 -0.137 0.000 1.090 301 F CA 0.697 58.574 58.000 -0.205 0.000 1.392 301 F CB -1.480 37.391 39.000 -0.215 0.000 1.053 301 F HN -0.105 nan 8.300 nan 0.000 0.521 302 Y N 0.858 121.115 120.300 -0.072 0.000 2.314 302 Y HA -0.032 4.517 4.550 -0.001 0.000 0.293 302 Y C 2.211 178.047 175.900 -0.107 0.000 1.129 302 Y CA 0.786 58.828 58.100 -0.096 0.000 1.201 302 Y CB -0.554 37.850 38.460 -0.094 0.000 0.999 302 Y HN -0.030 nan 8.280 nan 0.000 0.541 303 A N 0.878 123.581 122.820 -0.194 0.000 1.873 303 A HA -0.138 4.182 4.320 -0.001 0.000 0.215 303 A C 2.289 179.713 177.584 -0.267 0.000 1.186 303 A CA 1.905 53.760 52.037 -0.303 0.000 0.616 303 A CB -1.101 17.765 19.000 -0.223 0.000 0.823 303 A HN 0.562 nan 8.150 nan 0.000 0.442 304 I N -0.559 119.905 120.570 -0.177 0.000 2.286 304 I HA -0.252 3.918 4.170 -0.001 0.000 0.248 304 I C 2.521 178.691 176.117 0.088 0.000 1.115 304 I CA 1.418 62.701 61.300 -0.029 0.000 1.392 304 I CB -0.252 37.767 38.000 0.033 0.000 1.065 304 I HN 0.460 nan 8.210 nan 0.000 0.418 305 L N 1.605 122.831 121.223 0.005 0.000 2.027 305 L HA -0.198 4.142 4.340 -0.001 0.000 0.206 305 L C 2.676 179.545 176.870 -0.001 0.000 1.074 305 L CA 1.586 56.458 54.840 0.053 0.000 0.745 305 L CB -0.264 41.778 42.059 -0.029 0.000 0.898 305 L HN 0.218 nan 8.230 nan 0.000 0.433 306 R N -0.419 119.945 120.500 -0.227 0.000 2.319 306 R HA 0.180 4.519 4.340 -0.001 0.000 0.204 306 R C 1.573 177.721 176.300 -0.253 0.000 0.954 306 R CA 0.681 56.637 56.100 -0.240 0.000 1.066 306 R CB -0.337 29.722 30.300 -0.401 0.000 0.991 306 R HN 0.323 nan 8.270 nan 0.000 0.486 307 A N 1.047 123.666 122.820 -0.334 0.000 2.016 307 A HA 0.097 4.417 4.320 -0.001 0.000 0.217 307 A C 0.168 177.374 177.584 -0.629 0.000 1.162 307 A CA 0.231 51.950 52.037 -0.530 0.000 0.662 307 A CB -0.172 18.396 19.000 -0.720 0.000 0.812 307 A HN 0.297 nan 8.150 nan 0.000 0.450 308 F N 1.972 121.865 119.950 -0.095 0.000 2.451 308 F HA 0.308 4.835 4.527 -0.000 0.000 0.356 308 F C 1.210 176.935 175.800 -0.125 0.000 1.178 308 F CA -0.111 57.815 58.000 -0.123 0.000 1.210 308 F CB 0.009 38.993 39.000 -0.026 0.000 1.504 308 F HN 0.123 nan 8.300 nan 0.000 0.598 309 T N -1.677 112.852 114.554 -0.042 0.000 2.880 309 T HA 0.643 4.993 4.350 -0.001 0.000 0.279 309 T C 1.438 176.118 174.700 -0.034 0.000 0.990 309 T CA -0.269 61.811 62.100 -0.033 0.000 0.938 309 T CB 1.409 70.240 68.868 -0.061 0.000 1.206 309 T HN 0.341 nan 8.240 nan 0.000 0.573 310 A N 0.511 123.321 122.820 -0.016 0.000 1.908 310 A HA -0.063 4.257 4.320 -0.001 0.000 0.218 310 A C 1.752 179.333 177.584 -0.005 0.000 1.181 310 A CA 1.664 53.697 52.037 -0.008 0.000 0.627 310 A CB -1.133 17.871 19.000 0.006 0.000 0.818 310 A HN 0.869 nan 8.150 nan 0.000 0.445 311 D N -0.269 120.128 120.400 -0.005 0.000 2.378 311 D HA 0.081 4.721 4.640 -0.001 0.000 0.227 311 D C 0.153 176.484 176.300 0.052 0.000 1.012 311 D CA 0.247 54.264 54.000 0.029 0.000 0.905 311 D CB -0.245 40.566 40.800 0.018 0.000 0.895 311 D HN 0.190 nan 8.370 nan 0.000 0.532 312 V N 1.524 121.428 119.914 -0.016 0.000 2.498 312 V HA -0.007 4.113 4.120 -0.001 0.000 0.279 312 V C 1.008 177.168 176.094 0.111 0.000 1.048 312 V CA -0.848 61.418 62.300 -0.058 0.000 0.967 312 V CB 1.268 33.010 31.823 -0.135 0.000 0.988 312 V HN 0.089 nan 8.190 nan 0.000 0.473 313 W N 3.291 124.527 121.300 -0.107 0.000 2.311 313 W HA -0.145 4.515 4.660 -0.001 0.000 0.326 313 W C 2.109 178.575 176.519 -0.088 0.000 1.239 313 W CA 1.171 58.469 57.345 -0.077 0.000 1.258 313 W CB -1.445 27.991 29.460 -0.040 0.000 1.165 313 W HN 0.412 nan 8.180 nan 0.000 0.466 314 V N 0.434 120.435 119.914 0.145 0.000 2.439 314 V HA -0.315 3.805 4.120 -0.001 0.000 0.253 314 V C 2.122 178.129 176.094 -0.145 0.000 1.074 314 V CA 1.756 64.082 62.300 0.043 0.000 1.076 314 V CB -1.436 30.427 31.823 0.066 0.000 0.664 314 V HN 0.040 nan 8.190 nan 0.000 0.461 315 V N -0.772 118.923 119.914 -0.364 0.000 2.283 315 V HA -0.280 3.840 4.120 -0.001 0.000 0.243 315 V C 2.421 178.431 176.094 -0.139 0.000 1.039 315 V CA 1.983 63.945 62.300 -0.564 0.000 1.016 315 V CB -0.663 30.835 31.823 -0.541 0.000 0.650 315 V HN 0.521 nan 8.190 nan 0.000 0.449 316 Q N -0.407 119.367 119.800 -0.043 0.000 2.112 316 Q HA -0.208 4.131 4.340 -0.001 0.000 0.206 316 Q C 2.264 178.302 176.000 0.063 0.000 0.987 316 Q CA 2.039 57.854 55.803 0.020 0.000 0.858 316 Q CB -0.287 28.461 28.738 0.016 0.000 0.905 316 Q HN 0.577 nan 8.270 nan 0.000 0.420 317 I N 0.335 120.945 120.570 0.067 0.000 2.127 317 I HA -0.328 3.842 4.170 -0.001 0.000 0.241 317 I C 2.417 178.629 176.117 0.157 0.000 1.075 317 I CA 1.100 62.466 61.300 0.110 0.000 1.334 317 I CB -0.499 37.562 38.000 0.101 0.000 1.040 317 I HN 0.222 nan 8.210 nan 0.000 0.405 318 A N 0.869 123.770 122.820 0.135 0.000 1.908 318 A HA -0.299 4.020 4.320 -0.001 0.000 0.218 318 A C 2.049 179.717 177.584 0.140 0.000 1.181 318 A CA 2.402 54.535 52.037 0.160 0.000 0.627 318 A CB -0.920 18.238 19.000 0.265 0.000 0.818 318 A HN 0.513 nan 8.150 nan 0.000 0.445 319 N N -0.789 117.989 118.700 0.130 0.000 2.069 319 N HA -0.199 4.541 4.740 -0.001 0.000 0.191 319 N C 1.438 177.003 175.510 0.091 0.000 1.031 319 N CA 2.118 55.237 53.050 0.116 0.000 0.852 319 N CB -0.562 37.983 38.487 0.097 0.000 1.018 319 N HN 0.437 nan 8.380 nan 0.000 0.423 320 F N 0.941 120.866 119.950 -0.042 0.000 2.146 320 F HA 0.114 4.641 4.527 -0.000 0.000 0.298 320 F C 2.029 177.713 175.800 -0.194 0.000 1.096 320 F CA 1.085 59.016 58.000 -0.115 0.000 1.275 320 F CB -0.275 38.661 39.000 -0.105 0.000 1.008 320 F HN 0.054 nan 8.300 nan 0.000 0.480 321 I N 0.150 120.641 120.570 -0.131 0.000 2.756 321 I HA -0.185 3.985 4.170 -0.001 0.000 0.262 321 I C 1.503 177.532 176.117 -0.147 0.000 1.225 321 I CA 1.373 62.552 61.300 -0.202 0.000 1.472 321 I CB -0.631 37.389 38.000 0.034 0.000 1.094 321 I HN 0.319 nan 8.210 nan 0.000 0.454 322 S N -0.722 114.951 115.700 -0.044 0.000 2.663 322 S HA 0.194 4.664 4.470 -0.001 0.000 0.243 322 S C 0.489 175.293 174.600 0.340 0.000 1.009 322 S CA -0.571 57.745 58.200 0.193 0.000 0.988 322 S CB -0.384 62.909 63.200 0.155 0.000 0.896 322 S HN 0.302 nan 8.310 nan 0.000 0.502 323 F N 1.380 121.248 119.950 -0.138 0.000 3.091 323 F HA -0.123 4.404 4.527 -0.000 0.000 0.288 323 F C 1.486 177.257 175.800 -0.049 0.000 0.907 323 F CA 0.623 58.550 58.000 -0.121 0.000 1.028 323 F CB -2.068 36.870 39.000 -0.103 0.000 1.022 323 F HN 0.652 nan 8.300 nan 0.000 0.665 324 G N -0.972 107.874 108.800 0.076 0.000 2.184 324 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.264 324 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.264 324 G C 1.083 176.042 174.900 0.098 0.000 0.975 324 G CA 0.325 45.476 45.100 0.084 0.000 0.642 324 G HN 0.575 nan 8.290 nan 0.000 0.536 325 I N 0.345 120.985 120.570 0.116 0.000 2.163 325 I HA 0.056 4.225 4.170 -0.001 0.000 0.240 325 I C 1.625 177.838 176.117 0.159 0.000 1.081 325 I CA 1.070 62.427 61.300 0.095 0.000 1.353 325 I CB -0.139 37.911 38.000 0.083 0.000 1.054 325 I HN 0.157 nan 8.210 nan 0.000 0.407 326 I N 3.074 123.781 120.570 0.228 0.000 2.227 326 I HA 0.007 4.177 4.170 -0.001 0.000 0.297 326 I C -0.079 176.198 176.117 0.266 0.000 1.173 326 I CA -0.537 60.966 61.300 0.339 0.000 1.356 326 I CB -0.629 37.535 38.000 0.273 0.000 1.485 326 I HN 0.253 nan 8.210 nan 0.000 0.604 327 D N 4.445 124.994 120.400 0.248 0.000 2.478 327 D HA 0.223 4.863 4.640 -0.001 0.000 0.274 327 D C 1.243 177.658 176.300 0.193 0.000 1.234 327 D CA -0.519 53.586 54.000 0.174 0.000 1.069 327 D CB 0.791 41.668 40.800 0.129 0.000 1.113 327 D HN 0.267 nan 8.370 nan 0.000 0.571 328 A N -0.165 122.727 122.820 0.121 0.000 1.865 328 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 328 A C 2.049 179.738 177.584 0.175 0.000 1.191 328 A CA 2.731 54.834 52.037 0.109 0.000 0.623 328 A CB -0.969 18.066 19.000 0.058 0.000 0.826 328 A HN 0.732 nan 8.150 nan 0.000 0.444 329 K N -1.407 119.088 120.400 0.157 0.000 2.015 329 K HA -0.249 4.071 4.320 -0.001 0.000 0.220 329 K C 1.758 178.497 176.600 0.233 0.000 1.055 329 K CA 2.309 58.697 56.287 0.167 0.000 0.951 329 K CB -0.537 32.049 32.500 0.143 0.000 0.725 329 K HN 0.328 nan 8.250 nan 0.000 0.449 330 F N 0.514 120.512 119.950 0.080 0.000 2.293 330 F HA -0.069 4.457 4.527 -0.001 0.000 0.300 330 F C 1.781 177.617 175.800 0.059 0.000 1.086 330 F CA 0.780 58.812 58.000 0.053 0.000 1.375 330 F CB -0.450 38.570 39.000 0.033 0.000 1.045 330 F HN 0.167 nan 8.300 nan 0.000 0.516 331 F N 0.550 120.425 119.950 -0.125 0.000 2.146 331 F HA 0.058 4.585 4.527 -0.000 0.000 0.298 331 F C 2.446 178.070 175.800 -0.292 0.000 1.096 331 F CA 1.685 59.505 58.000 -0.299 0.000 1.275 331 F CB -1.055 37.818 39.000 -0.212 0.000 1.008 331 F HN -0.043 nan 8.300 nan 0.000 0.480 332 G N -0.074 108.854 108.800 0.214 0.000 2.440 332 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.218 332 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.218 332 G C 1.804 176.737 174.900 0.054 0.000 1.154 332 G CA 1.226 46.453 45.100 0.213 0.000 0.767 332 G HN 0.325 nan 8.290 nan 0.000 0.552 333 V N 0.925 120.847 119.914 0.013 0.000 2.255 333 V HA -0.159 3.961 4.120 -0.001 0.000 0.247 333 V C 2.941 179.025 176.094 -0.017 0.000 1.051 333 V CA 1.706 64.026 62.300 0.033 0.000 1.018 333 V CB -0.469 31.416 31.823 0.104 0.000 0.641 333 V HN 0.353 nan 8.190 nan 0.000 0.445 334 L N -0.145 120.886 121.223 -0.320 0.000 2.131 334 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 334 L C 2.642 179.356 176.870 -0.259 0.000 1.092 334 L CA 1.403 56.005 54.840 -0.396 0.000 0.759 334 L CB -0.728 40.858 42.059 -0.789 0.000 0.903 334 L HN 0.365 nan 8.230 nan 0.000 0.435 335 A N -0.312 122.327 122.820 -0.301 0.000 1.873 335 A HA -0.259 4.061 4.320 -0.001 0.000 0.215 335 A C 2.337 180.058 177.584 0.227 0.000 1.186 335 A CA 1.817 53.794 52.037 -0.100 0.000 0.616 335 A CB -0.499 18.435 19.000 -0.110 0.000 0.823 335 A HN 0.383 nan 8.150 nan 0.000 0.442 336 M N -1.601 118.060 119.600 0.102 0.000 2.065 336 M HA -0.154 4.326 4.480 -0.001 0.000 0.259 336 M C 1.862 178.119 176.300 -0.071 0.000 1.071 336 M CA 2.093 57.401 55.300 0.014 0.000 1.109 336 M CB -0.262 32.231 32.600 -0.177 0.000 1.313 336 M HN 0.372 nan 8.290 nan 0.000 0.408 337 F N -0.076 119.866 119.950 -0.014 0.000 2.293 337 F HA 0.014 4.541 4.527 -0.000 0.000 0.300 337 F C 2.434 178.260 175.800 0.042 0.000 1.086 337 F CA 1.366 59.341 58.000 -0.041 0.000 1.375 337 F CB -1.116 37.826 39.000 -0.097 0.000 1.045 337 F HN 0.280 nan 8.300 nan 0.000 0.516 338 G N -0.434 108.519 108.800 0.255 0.000 2.408 338 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.217 338 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.217 338 G C 1.929 177.086 174.900 0.428 0.000 1.150 338 G CA 0.730 46.018 45.100 0.313 0.000 0.776 338 G HN 0.418 nan 8.290 nan 0.000 0.542 339 A N 0.779 123.833 122.820 0.389 0.000 1.908 339 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 339 A C 2.391 180.197 177.584 0.370 0.000 1.181 339 A CA 1.377 53.519 52.037 0.176 0.000 0.627 339 A CB -0.332 18.634 19.000 -0.058 0.000 0.818 339 A HN 0.396 nan 8.150 nan 0.000 0.445 340 I N -0.974 119.759 120.570 0.270 0.000 2.233 340 I HA -0.184 3.985 4.170 -0.001 0.000 0.243 340 I C 2.445 178.652 176.117 0.150 0.000 1.093 340 I CA 1.242 62.667 61.300 0.208 0.000 1.380 340 I CB -0.341 37.671 38.000 0.021 0.000 1.067 340 I HN 0.432 nan 8.210 nan 0.000 0.413 341 L N 0.493 121.805 121.223 0.147 0.000 2.042 341 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 341 L C 2.399 179.309 176.870 0.067 0.000 1.076 341 L CA 1.694 56.603 54.840 0.114 0.000 0.749 341 L CB -0.522 41.607 42.059 0.117 0.000 0.893 341 L HN -0.024 nan 8.230 nan 0.000 0.432 342 V N -0.143 119.804 119.914 0.055 0.000 2.287 342 V HA -0.376 3.744 4.120 -0.001 0.000 0.248 342 V C 2.655 178.512 176.094 -0.396 0.000 1.053 342 V CA 2.402 64.661 62.300 -0.068 0.000 1.027 342 V CB -0.315 31.518 31.823 0.018 0.000 0.646 342 V HN 0.700 nan 8.190 nan 0.000 0.447 343 M N -0.356 118.916 119.600 -0.546 0.000 2.149 343 M HA -0.175 4.304 4.480 -0.001 0.000 0.261 343 M C 1.987 178.250 176.300 -0.063 0.000 1.064 343 M CA 2.288 57.169 55.300 -0.699 0.000 1.102 343 M CB -0.285 32.175 32.600 -0.234 0.000 1.369 343 M HN 0.344 nan 8.290 nan 0.000 0.408 344 A N 0.026 122.913 122.820 0.112 0.000 2.067 344 A HA -0.046 4.274 4.320 -0.001 0.000 0.219 344 A C 1.862 179.685 177.584 0.398 0.000 1.158 344 A CA 1.079 53.324 52.037 0.346 0.000 0.661 344 A CB -0.746 18.375 19.000 0.200 0.000 0.801 344 A HN 0.604 nan 8.150 nan 0.000 0.452 345 L N -0.936 120.413 121.223 0.211 0.000 2.558 345 L HA 0.013 4.353 4.340 -0.001 0.000 0.225 345 L C 2.206 179.192 176.870 0.194 0.000 1.128 345 L CA 0.127 55.155 54.840 0.314 0.000 0.868 345 L CB -0.109 42.061 42.059 0.185 0.000 1.006 345 L HN 0.267 nan 8.230 nan 0.000 0.454 346 V N 1.918 121.774 119.914 -0.096 0.000 2.428 346 V HA -0.221 3.899 4.120 -0.001 0.000 0.255 346 V C -0.364 175.426 176.094 -0.506 0.000 1.080 346 V CA 2.099 64.205 62.300 -0.323 0.000 1.083 346 V CB -0.622 30.831 31.823 -0.617 0.000 0.665 346 V HN 0.310 nan 8.190 nan 0.000 0.461 347 P HA -0.127 nan 4.420 nan 0.000 0.219 347 P C 1.241 178.133 177.300 -0.681 0.000 1.146 347 P CA 1.735 64.394 63.100 -0.735 0.000 0.808 347 P CB -0.127 30.839 31.700 -1.224 0.000 0.779 348 W N -1.743 119.518 121.300 -0.064 0.000 2.762 348 W HA 0.257 4.917 4.660 -0.001 0.000 0.265 348 W C 1.695 178.192 176.519 -0.036 0.000 1.263 348 W CA 0.257 57.583 57.345 -0.031 0.000 1.411 348 W CB -0.587 28.864 29.460 -0.015 0.000 1.065 348 W HN -0.066 nan 8.180 nan 0.000 0.609 349 L N -0.031 121.263 121.223 0.118 0.000 2.240 349 L HA -0.007 4.333 4.340 -0.001 0.000 0.211 349 L C 0.885 177.746 176.870 -0.016 0.000 1.106 349 L CA 0.855 55.728 54.840 0.056 0.000 0.793 349 L CB -0.551 41.547 42.059 0.064 0.000 0.927 349 L HN -0.272 nan 8.230 nan 0.000 0.446 350 D N 0.742 121.111 120.400 -0.052 0.000 2.352 350 D HA 0.009 4.648 4.640 -0.001 0.000 0.245 350 D C 1.007 177.278 176.300 -0.048 0.000 1.224 350 D CA 0.110 54.079 54.000 -0.053 0.000 0.879 350 D CB 1.416 42.219 40.800 0.005 0.000 1.057 350 D HN 0.100 nan 8.370 nan 0.000 0.491 351 T N 0.076 114.602 114.554 -0.047 0.000 3.060 351 T HA 0.056 4.405 4.350 -0.001 0.000 0.249 351 T C 1.085 175.754 174.700 -0.052 0.000 1.079 351 T CA -0.421 61.656 62.100 -0.039 0.000 1.013 351 T CB 0.136 68.990 68.868 -0.024 0.000 0.975 351 T HN 0.198 nan 8.240 nan 0.000 0.518 352 S N 3.184 118.840 115.700 -0.072 0.000 2.562 352 S HA 0.243 4.712 4.470 -0.001 0.000 0.281 352 S C -1.176 173.365 174.600 -0.098 0.000 1.333 352 S CA -1.223 56.925 58.200 -0.086 0.000 1.052 352 S CB 0.994 64.118 63.200 -0.126 0.000 0.884 352 S HN 0.225 nan 8.310 nan 0.000 0.506 353 P HA 0.125 nan 4.420 nan 0.000 0.251 353 P C -0.198 177.047 177.300 -0.091 0.000 1.223 353 P CA 0.084 63.137 63.100 -0.077 0.000 0.796 353 P CB 0.052 31.721 31.700 -0.052 0.000 1.068 354 V N 2.171 122.022 119.914 -0.105 0.000 2.508 354 V HA 0.137 4.256 4.120 -0.001 0.000 0.281 354 V C 2.208 178.200 176.094 -0.170 0.000 1.041 354 V CA -0.000 62.238 62.300 -0.103 0.000 1.016 354 V CB 0.855 32.626 31.823 -0.085 0.000 0.984 354 V HN 0.002 nan 8.190 nan 0.000 0.478 355 R N 3.732 124.154 120.500 -0.130 0.000 2.060 355 R HA -0.038 4.302 4.340 -0.001 0.000 0.225 355 R C 1.418 177.566 176.300 -0.253 0.000 1.155 355 R CA 1.415 57.403 56.100 -0.187 0.000 0.930 355 R CB -0.197 30.042 30.300 -0.100 0.000 0.829 355 R HN 0.682 nan 8.270 nan 0.000 0.433 356 S N -0.517 115.109 115.700 -0.123 0.000 2.510 356 S HA 0.164 4.634 4.470 -0.001 0.000 0.279 356 S C 1.009 175.331 174.600 -0.463 0.000 1.284 356 S CA -0.197 57.882 58.200 -0.203 0.000 1.059 356 S CB 1.368 64.553 63.200 -0.026 0.000 0.901 356 S HN 0.512 nan 8.310 nan 0.000 0.491 357 G N 4.242 112.563 108.800 -0.799 0.000 2.708 357 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.210 357 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.210 357 G C 1.328 175.802 174.900 -0.711 0.000 1.141 357 G CA 0.271 44.802 45.100 -0.947 0.000 0.788 357 G HN 0.805 nan 8.290 nan 0.000 0.531 358 R N -0.497 119.595 120.500 -0.679 0.000 2.120 358 R HA -0.080 4.260 4.340 -0.001 0.000 0.234 358 R C 0.746 176.749 176.300 -0.496 0.000 1.123 358 R CA 0.969 56.768 56.100 -0.502 0.000 0.975 358 R CB -0.185 29.700 30.300 -0.691 0.000 0.866 358 R HN 0.430 nan 8.270 nan 0.000 0.446 359 Y N 0.153 120.427 120.300 -0.043 0.000 2.683 359 Y HA 0.362 4.911 4.550 -0.000 0.000 0.297 359 Y C -0.323 175.556 175.900 -0.036 0.000 1.147 359 Y CA -0.332 57.756 58.100 -0.020 0.000 1.274 359 Y CB 0.332 38.777 38.460 -0.025 0.000 1.143 359 Y HN -0.189 nan 8.280 nan 0.000 0.527 360 R N 0.388 120.899 120.500 0.018 0.000 2.407 360 R HA 0.260 4.599 4.340 -0.001 0.000 0.298 360 R C -2.365 174.020 176.300 0.142 0.000 1.166 360 R CA -1.576 54.557 56.100 0.056 0.000 1.006 360 R CB 1.192 31.465 30.300 -0.045 0.000 1.145 360 R HN 0.036 nan 8.270 nan 0.000 0.538 361 P HA -0.159 nan 4.420 nan 0.000 0.214 361 P C 1.067 178.448 177.300 0.136 0.000 1.163 361 P CA 1.529 64.705 63.100 0.127 0.000 0.883 361 P CB 0.255 32.016 31.700 0.101 0.000 0.788 362 M N -2.816 116.878 119.600 0.157 0.000 2.099 362 M HA -0.107 4.372 4.480 -0.001 0.000 0.262 362 M C 2.054 178.495 176.300 0.234 0.000 1.067 362 M CA 1.530 56.936 55.300 0.176 0.000 1.124 362 M CB -0.829 31.916 32.600 0.242 0.000 1.353 362 M HN -0.150 nan 8.290 nan 0.000 0.410 363 F N 1.660 121.697 119.950 0.144 0.000 2.063 363 F HA -0.348 4.179 4.527 -0.000 0.000 0.298 363 F C 2.193 178.097 175.800 0.172 0.000 1.105 363 F CA 1.954 60.048 58.000 0.156 0.000 1.215 363 F CB -0.349 38.650 39.000 -0.001 0.000 0.972 363 F HN -0.026 nan 8.300 nan 0.000 0.483 364 K N -0.021 120.460 120.400 0.135 0.000 2.059 364 K HA -0.247 4.073 4.320 -0.001 0.000 0.212 364 K C 2.040 178.740 176.600 0.165 0.000 1.050 364 K CA 1.933 58.312 56.287 0.153 0.000 0.927 364 K CB -0.529 32.151 32.500 0.300 0.000 0.714 364 K HN 0.313 nan 8.250 nan 0.000 0.447 365 I N 0.331 120.912 120.570 0.018 0.000 2.163 365 I HA -0.272 3.898 4.170 -0.001 0.000 0.243 365 I C 2.282 178.287 176.117 -0.187 0.000 1.085 365 I CA 1.713 62.944 61.300 -0.116 0.000 1.347 365 I CB -1.171 36.602 38.000 -0.380 0.000 1.044 365 I HN 0.136 nan 8.210 nan 0.000 0.408 366 Y N -0.093 120.256 120.300 0.082 0.000 2.242 366 Y HA -0.248 4.301 4.550 -0.001 0.000 0.291 366 Y C 2.495 178.418 175.900 0.038 0.000 1.137 366 Y CA 1.146 59.340 58.100 0.157 0.000 1.181 366 Y CB -1.165 37.396 38.460 0.168 0.000 0.989 366 Y HN 0.071 nan 8.280 nan 0.000 0.527 367 F N -0.934 118.872 119.950 -0.241 0.000 2.069 367 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 367 F C 1.768 177.316 175.800 -0.421 0.000 1.113 367 F CA 1.576 59.273 58.000 -0.505 0.000 1.214 367 F CB -0.721 37.807 39.000 -0.786 0.000 0.978 367 F HN 0.019 nan 8.300 nan 0.000 0.474 368 W N 0.482 121.793 121.300 0.019 0.000 2.392 368 W HA -0.123 4.536 4.660 -0.000 0.000 0.279 368 W C 2.262 178.661 176.519 -0.201 0.000 1.225 368 W CA 0.824 58.118 57.345 -0.084 0.000 1.233 368 W CB -0.500 28.982 29.460 0.037 0.000 1.122 368 W HN 0.066 nan 8.180 nan 0.000 0.561 369 L N -0.667 120.541 121.223 -0.025 0.000 2.093 369 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 369 L C 2.383 179.146 176.870 -0.179 0.000 1.085 369 L CA 0.658 55.394 54.840 -0.173 0.000 0.755 369 L CB -0.837 41.032 42.059 -0.317 0.000 0.904 369 L HN 0.035 nan 8.230 nan 0.000 0.435 370 L N 0.032 121.156 121.223 -0.165 0.000 1.994 370 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 370 L C 2.653 179.458 176.870 -0.108 0.000 1.071 370 L CA 2.118 56.848 54.840 -0.183 0.000 0.745 370 L CB -0.780 40.780 42.059 -0.832 0.000 0.892 370 L HN 0.163 nan 8.230 nan 0.000 0.431 371 A N -0.514 122.065 122.820 -0.402 0.000 1.883 371 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 371 A C 2.450 179.944 177.584 -0.150 0.000 1.186 371 A CA 2.185 53.926 52.037 -0.492 0.000 0.624 371 A CB -1.312 17.343 19.000 -0.575 0.000 0.822 371 A HN 0.592 nan 8.150 nan 0.000 0.444 372 A N -0.374 122.409 122.820 -0.061 0.000 1.933 372 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 372 A C 1.861 179.444 177.584 -0.001 0.000 1.175 372 A CA 2.213 54.234 52.037 -0.027 0.000 0.628 372 A CB -0.695 18.279 19.000 -0.043 0.000 0.814 372 A HN 0.528 nan 8.150 nan 0.000 0.444 373 D N -1.413 119.007 120.400 0.033 0.000 2.117 373 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 373 D C 1.599 177.992 176.300 0.156 0.000 0.987 373 D CA 1.262 55.335 54.000 0.121 0.000 0.829 373 D CB -0.286 40.678 40.800 0.274 0.000 0.961 373 D HN 0.363 nan 8.370 nan 0.000 0.460 374 F N 0.347 120.332 119.950 0.059 0.000 2.102 374 F HA -0.171 4.355 4.527 -0.000 0.000 0.298 374 F C 2.183 177.940 175.800 -0.073 0.000 1.105 374 F CA 1.096 59.090 58.000 -0.011 0.000 1.239 374 F CB -0.411 38.609 39.000 0.033 0.000 0.991 374 F HN -0.123 nan 8.300 nan 0.000 0.474 375 V N 0.779 120.710 119.914 0.028 0.000 2.261 375 V HA -0.326 3.794 4.120 -0.001 0.000 0.246 375 V C 2.447 178.534 176.094 -0.012 0.000 1.047 375 V CA 2.205 64.492 62.300 -0.021 0.000 1.015 375 V CB -0.708 31.117 31.823 0.003 0.000 0.642 375 V HN 0.349 nan 8.190 nan 0.000 0.446 376 I N -0.467 120.114 120.570 0.017 0.000 2.163 376 I HA -0.301 3.869 4.170 -0.001 0.000 0.243 376 I C 2.392 178.583 176.117 0.122 0.000 1.085 376 I CA 1.702 63.070 61.300 0.113 0.000 1.347 376 I CB -0.369 37.678 38.000 0.078 0.000 1.044 376 I HN 0.258 nan 8.210 nan 0.000 0.408 377 L N -0.075 121.116 121.223 -0.054 0.000 2.046 377 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 377 L C 2.623 179.366 176.870 -0.213 0.000 1.077 377 L CA 1.632 56.369 54.840 -0.171 0.000 0.747 377 L CB -0.743 41.111 42.059 -0.341 0.000 0.896 377 L HN 0.268 nan 8.230 nan 0.000 0.432 378 T N -1.612 112.779 114.554 -0.272 0.000 2.746 378 T HA -0.254 4.096 4.350 -0.001 0.000 0.267 378 T C 1.303 175.974 174.700 -0.049 0.000 1.039 378 T CA 1.524 63.503 62.100 -0.202 0.000 1.142 378 T CB -0.377 68.376 68.868 -0.192 0.000 0.866 378 T HN 0.530 nan 8.240 nan 0.000 0.444 379 W N 2.285 123.502 121.300 -0.139 0.000 2.381 379 W HA -0.154 4.505 4.660 -0.001 0.000 0.301 379 W C 1.976 178.427 176.519 -0.114 0.000 1.205 379 W CA 0.880 58.162 57.345 -0.105 0.000 1.285 379 W CB -0.490 28.919 29.460 -0.085 0.000 1.133 379 W HN 0.069 nan 8.180 nan 0.000 0.521 380 V N 0.988 120.699 119.914 -0.337 0.000 2.515 380 V HA -0.092 4.027 4.120 -0.001 0.000 0.250 380 V C 2.406 178.240 176.094 -0.433 0.000 1.058 380 V CA 1.771 63.724 62.300 -0.579 0.000 1.064 380 V CB -2.057 29.636 31.823 -0.217 0.000 0.675 380 V HN 0.366 nan 8.190 nan 0.000 0.461 381 G N 0.343 109.001 108.800 -0.236 0.000 2.475 381 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.220 381 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.220 381 G C 1.513 176.390 174.900 -0.037 0.000 1.125 381 G CA 1.153 46.235 45.100 -0.031 0.000 0.755 381 G HN 0.746 nan 8.290 nan 0.000 0.565 382 A N -1.106 121.564 122.820 -0.250 0.000 2.238 382 A HA 0.328 4.647 4.320 -0.001 0.000 0.210 382 A C 1.377 178.726 177.584 -0.391 0.000 1.179 382 A CA 0.273 52.153 52.037 -0.262 0.000 0.827 382 A CB 0.092 18.937 19.000 -0.258 0.000 0.856 382 A HN 0.312 nan 8.150 nan 0.000 0.488 383 Q N 0.454 119.879 119.800 -0.625 0.000 2.249 383 Q HA 0.327 4.667 4.340 -0.001 0.000 0.226 383 Q C -0.107 175.576 176.000 -0.529 0.000 0.983 383 Q CA -0.129 55.159 55.803 -0.858 0.000 0.930 383 Q CB 0.313 28.041 28.738 -1.683 0.000 1.193 383 Q HN 0.592 nan 8.270 nan 0.000 0.508 384 Q N -0.159 119.369 119.800 -0.453 0.000 2.526 384 Q HA 0.122 4.462 4.340 -0.001 0.000 0.207 384 Q C 0.878 176.871 176.000 -0.012 0.000 1.078 384 Q CA 0.314 56.047 55.803 -0.118 0.000 1.041 384 Q CB 0.358 29.110 28.738 0.023 0.000 1.228 384 Q HN 0.710 nan 8.270 nan 0.000 0.603 385 T N -3.525 111.049 114.554 0.034 0.000 3.129 385 T HA -0.002 4.348 4.350 -0.001 0.000 0.251 385 T C 0.913 175.671 174.700 0.098 0.000 1.117 385 T CA 0.202 62.323 62.100 0.035 0.000 1.034 385 T CB -0.421 68.437 68.868 -0.016 0.000 0.968 385 T HN 0.715 nan 8.240 nan 0.000 0.526 386 T N 0.329 114.983 114.554 0.166 0.000 2.726 386 T HA 0.425 4.774 4.350 -0.001 0.000 0.294 386 T C -0.076 174.718 174.700 0.157 0.000 1.013 386 T CA -0.926 61.275 62.100 0.169 0.000 0.996 386 T CB 0.167 69.137 68.868 0.170 0.000 1.016 386 T HN 0.179 nan 8.240 nan 0.000 0.529 387 F N 3.076 123.032 119.950 0.010 0.000 2.518 387 F HA 0.361 4.887 4.527 -0.001 0.000 0.359 387 F C -1.243 174.410 175.800 -0.244 0.000 1.118 387 F CA -2.017 55.968 58.000 -0.025 0.000 1.287 387 F CB 0.859 39.878 39.000 0.031 0.000 1.132 387 F HN 0.420 nan 8.300 nan 0.000 0.587 388 P HA 0.023 nan 4.420 nan 0.000 0.266 388 P C 0.396 177.361 177.300 -0.558 0.000 1.381 388 P CA 0.433 62.762 63.100 -1.285 0.000 0.940 388 P CB -0.103 30.805 31.700 -1.320 0.000 1.435 389 Y N 2.212 122.418 120.300 -0.157 0.000 2.293 389 Y HA -0.181 4.369 4.550 -0.001 0.000 0.291 389 Y C 2.170 178.004 175.900 -0.111 0.000 1.137 389 Y CA 1.588 59.614 58.100 -0.124 0.000 1.202 389 Y CB -1.415 36.942 38.460 -0.172 0.000 0.990 389 Y HN 0.112 nan 8.280 nan 0.000 0.537 390 D N -1.657 118.752 120.400 0.015 0.000 2.144 390 D HA -0.238 4.401 4.640 -0.001 0.000 0.199 390 D C 1.632 177.822 176.300 -0.183 0.000 0.984 390 D CA 1.261 55.201 54.000 -0.101 0.000 0.834 390 D CB -1.075 39.660 40.800 -0.109 0.000 0.955 390 D HN 0.372 nan 8.370 nan 0.000 0.465 391 W N 0.574 121.799 121.300 -0.124 0.000 2.409 391 W HA 0.227 4.887 4.660 -0.000 0.000 0.299 391 W C 2.412 178.871 176.519 -0.100 0.000 1.203 391 W CA 0.234 57.511 57.345 -0.114 0.000 1.298 391 W CB -0.278 29.114 29.460 -0.113 0.000 1.127 391 W HN -0.098 nan 8.180 nan 0.000 0.528 392 I N 0.299 120.947 120.570 0.130 0.000 2.179 392 I HA -0.366 3.804 4.170 -0.001 0.000 0.242 392 I C 2.663 178.817 176.117 0.062 0.000 1.088 392 I CA 1.861 63.230 61.300 0.115 0.000 1.357 392 I CB -0.922 37.186 38.000 0.179 0.000 1.051 392 I HN -0.047 nan 8.210 nan 0.000 0.409 393 S N 1.099 116.794 115.700 -0.009 0.000 2.382 393 S HA -0.180 4.289 4.470 -0.001 0.000 0.228 393 S C 2.044 176.564 174.600 -0.133 0.000 1.027 393 S CA 1.024 59.170 58.200 -0.091 0.000 0.991 393 S CB -0.896 62.199 63.200 -0.176 0.000 0.823 393 S HN 0.398 nan 8.310 nan 0.000 0.469 394 L N 0.809 121.920 121.223 -0.186 0.000 2.005 394 L HA 0.000 4.340 4.340 -0.001 0.000 0.207 394 L C 2.653 179.503 176.870 -0.033 0.000 1.072 394 L CA 1.474 56.173 54.840 -0.234 0.000 0.744 394 L CB -0.457 41.383 42.059 -0.365 0.000 0.895 394 L HN 0.339 nan 8.230 nan 0.000 0.433 395 I N -0.469 120.132 120.570 0.052 0.000 2.208 395 I HA -0.316 3.854 4.170 -0.001 0.000 0.245 395 I C 2.773 179.003 176.117 0.187 0.000 1.097 395 I CA 1.187 62.571 61.300 0.139 0.000 1.363 395 I CB -0.625 37.468 38.000 0.154 0.000 1.051 395 I HN 0.241 nan 8.210 nan 0.000 0.413 396 A N 0.678 123.587 122.820 0.148 0.000 1.883 396 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 396 A C 2.525 180.268 177.584 0.264 0.000 1.186 396 A CA 2.397 54.549 52.037 0.190 0.000 0.624 396 A CB -0.842 18.221 19.000 0.104 0.000 0.822 396 A HN 0.426 nan 8.150 nan 0.000 0.444 397 S N 0.225 116.043 115.700 0.196 0.000 2.359 397 S HA -0.084 4.386 4.470 -0.001 0.000 0.224 397 S C 2.316 177.238 174.600 0.536 0.000 1.035 397 S CA 1.316 59.713 58.200 0.329 0.000 1.018 397 S CB -0.648 62.724 63.200 0.287 0.000 0.876 397 S HN 0.841 nan 8.310 nan 0.000 0.448 398 A N 0.892 123.961 122.820 0.416 0.000 1.883 398 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 398 A C 2.000 179.811 177.584 0.377 0.000 1.186 398 A CA 1.851 54.130 52.037 0.402 0.000 0.624 398 A CB -1.135 18.026 19.000 0.269 0.000 0.822 398 A HN 0.562 nan 8.150 nan 0.000 0.444 399 Y N -1.026 119.438 120.300 0.274 0.000 2.224 399 Y HA -0.243 4.307 4.550 -0.000 0.000 0.289 399 Y C 2.272 178.328 175.900 0.259 0.000 1.146 399 Y CA 1.610 59.848 58.100 0.229 0.000 1.182 399 Y CB -0.331 38.237 38.460 0.180 0.000 0.983 399 Y HN 0.576 nan 8.280 nan 0.000 0.524 400 W N 0.171 121.523 121.300 0.087 0.000 2.333 400 W HA -0.312 4.347 4.660 -0.001 0.000 0.316 400 W C 1.549 178.059 176.519 -0.015 0.000 1.215 400 W CA 2.235 59.571 57.345 -0.014 0.000 1.278 400 W CB -0.993 28.431 29.460 -0.061 0.000 1.154 400 W HN 0.165 nan 8.180 nan 0.000 0.486 401 F N 1.007 121.152 119.950 0.324 0.000 2.234 401 F HA -0.069 4.458 4.527 -0.001 0.000 0.299 401 F C 2.727 178.549 175.800 0.036 0.000 1.087 401 F CA 1.771 59.905 58.000 0.223 0.000 1.340 401 F CB -1.318 37.824 39.000 0.237 0.000 1.031 401 F HN -0.109 nan 8.300 nan 0.000 0.500 402 A N -0.682 122.202 122.820 0.107 0.000 1.933 402 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 402 A C 2.048 179.468 177.584 -0.273 0.000 1.175 402 A CA 1.578 53.568 52.037 -0.078 0.000 0.628 402 A CB -1.365 17.563 19.000 -0.120 0.000 0.814 402 A HN 0.502 nan 8.150 nan 0.000 0.444 403 Y N -0.757 119.173 120.300 -0.617 0.000 2.145 403 Y HA -0.188 4.361 4.550 -0.000 0.000 0.286 403 Y C 1.894 177.407 175.900 -0.645 0.000 1.145 403 Y CA 2.172 59.804 58.100 -0.781 0.000 1.148 403 Y CB -0.330 37.467 38.460 -1.106 0.000 0.981 403 Y HN 0.275 nan 8.280 nan 0.000 0.507 404 F N -0.689 119.107 119.950 -0.256 0.000 2.219 404 F HA -0.056 4.471 4.527 -0.001 0.000 0.294 404 F C 2.060 177.759 175.800 -0.168 0.000 1.086 404 F CA 1.042 58.898 58.000 -0.240 0.000 1.330 404 F CB -0.597 38.301 39.000 -0.170 0.000 1.047 404 F HN -0.027 nan 8.300 nan 0.000 0.495 405 L N -1.198 120.081 121.223 0.094 0.000 2.095 405 L HA -0.069 4.271 4.340 -0.001 0.000 0.204 405 L C 1.977 178.833 176.870 -0.023 0.000 1.080 405 L CA 0.645 55.524 54.840 0.065 0.000 0.759 405 L CB -0.564 41.573 42.059 0.131 0.000 0.914 405 L HN -0.029 nan 8.230 nan 0.000 0.439 406 V N -0.660 119.204 119.914 -0.082 0.000 2.602 406 V HA -0.021 4.098 4.120 -0.001 0.000 0.235 406 V C 2.165 178.139 176.094 -0.201 0.000 1.087 406 V CA 0.501 62.734 62.300 -0.111 0.000 1.117 406 V CB 0.086 31.859 31.823 -0.084 0.000 0.820 406 V HN 0.148 nan 8.190 nan 0.000 0.490 407 I N 0.376 120.751 120.570 -0.325 0.000 2.091 407 I HA -0.306 3.864 4.170 -0.001 0.000 0.239 407 I C 2.468 178.336 176.117 -0.416 0.000 1.061 407 I CA 1.926 62.947 61.300 -0.464 0.000 1.317 407 I CB -0.478 37.092 38.000 -0.717 0.000 1.031 407 I HN 0.243 nan 8.210 nan 0.000 0.401 408 L N 0.190 121.115 121.223 -0.497 0.000 2.042 408 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 408 L C -0.170 176.591 176.870 -0.181 0.000 1.076 408 L CA 1.718 56.347 54.840 -0.351 0.000 0.749 408 L CB -1.880 39.921 42.059 -0.430 0.000 0.893 408 L HN 0.195 nan 8.230 nan 0.000 0.432 409 P HA -0.160 nan 4.420 nan 0.000 0.216 409 P C 1.856 179.112 177.300 -0.073 0.000 1.153 409 P CA 1.444 64.495 63.100 -0.082 0.000 0.848 409 P CB 0.124 31.789 31.700 -0.058 0.000 0.787 410 I N -1.297 119.215 120.570 -0.095 0.000 2.202 410 I HA -0.201 3.969 4.170 -0.001 0.000 0.242 410 I C 2.207 178.291 176.117 -0.055 0.000 1.091 410 I CA 1.198 62.455 61.300 -0.072 0.000 1.368 410 I CB -0.562 37.386 38.000 -0.087 0.000 1.058 410 I HN -0.115 nan 8.210 nan 0.000 0.410 411 L N 0.542 121.722 121.223 -0.072 0.000 2.189 411 L HA -0.205 4.135 4.340 -0.001 0.000 0.214 411 L C 2.557 179.423 176.870 -0.005 0.000 1.097 411 L CA 1.321 56.154 54.840 -0.012 0.000 0.764 411 L CB -1.046 41.029 42.059 0.026 0.000 0.900 411 L HN 0.360 nan 8.230 nan 0.000 0.436 412 G N -0.628 108.154 108.800 -0.029 0.000 2.469 412 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.220 412 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.220 412 G C 1.596 176.486 174.900 -0.016 0.000 1.136 412 G CA 1.019 46.102 45.100 -0.028 0.000 0.759 412 G HN 0.525 nan 8.290 nan 0.000 0.562 413 A N 0.229 123.042 122.820 -0.011 0.000 1.919 413 A HA 0.379 4.699 4.320 -0.001 0.000 0.211 413 A C 2.288 179.876 177.584 0.007 0.000 1.310 413 A CA 0.527 52.562 52.037 -0.003 0.000 0.651 413 A CB -0.237 18.761 19.000 -0.003 0.000 0.996 413 A HN 0.217 nan 8.150 nan 0.000 0.479 414 I N 0.574 121.151 120.570 0.011 0.000 2.074 414 I HA -0.269 3.901 4.170 -0.001 0.000 0.238 414 I C 1.403 177.541 176.117 0.035 0.000 1.037 414 I CA 1.362 62.677 61.300 0.025 0.000 1.301 414 I CB -0.543 37.477 38.000 0.033 0.000 1.016 414 I HN 0.491 nan 8.210 nan 0.000 0.400 415 E N 2.039 122.266 120.200 0.045 0.000 2.568 415 E HA -0.115 4.234 4.350 -0.001 0.000 0.262 415 E C -0.432 176.192 176.600 0.040 0.000 0.961 415 E CA 0.559 56.993 56.400 0.057 0.000 0.945 415 E CB 0.389 30.133 29.700 0.074 0.000 0.924 415 E HN 0.166 nan 8.360 nan 0.000 0.467 416 K N 5.945 126.372 120.400 0.046 0.000 2.473 416 K HA 0.301 4.620 4.320 -0.001 0.000 0.246 416 K C -2.249 174.376 176.600 0.042 0.000 1.011 416 K CA -1.632 54.676 56.287 0.035 0.000 0.984 416 K CB 1.413 33.932 32.500 0.032 0.000 1.250 416 K HN 0.428 nan 8.250 nan 0.000 0.454 417 P HA 0.064 nan 4.420 nan 0.000 0.271 417 P C -0.046 177.281 177.300 0.046 0.000 1.218 417 P CA -0.427 62.700 63.100 0.046 0.000 0.780 417 P CB 1.070 32.785 31.700 0.025 0.000 0.901 418 V N 1.676 121.638 119.914 0.080 0.000 3.083 418 V HA 0.349 4.469 4.120 -0.001 0.000 0.306 418 V C 0.791 176.882 176.094 -0.005 0.000 1.077 418 V CA -0.310 62.029 62.300 0.065 0.000 1.073 418 V CB 1.080 32.984 31.823 0.135 0.000 1.081 418 V HN 0.842 nan 8.190 nan 0.000 0.474 419 A N 5.269 128.047 122.820 -0.070 0.000 2.328 419 A HA 0.690 5.010 4.320 -0.001 0.000 0.284 419 A C -2.163 175.181 177.584 -0.400 0.000 1.160 419 A CA -1.165 50.773 52.037 -0.166 0.000 0.818 419 A CB 0.182 19.116 19.000 -0.109 0.000 1.087 419 A HN 0.657 nan 8.150 nan 0.000 0.504 420 P HA 0.475 nan 4.420 nan 0.000 0.283 420 P C -2.781 174.247 177.300 -0.453 0.000 1.271 420 P CA -1.743 60.749 63.100 -1.014 0.000 0.841 420 P CB 0.052 31.254 31.700 -0.830 0.000 1.122 421 P HA -0.015 nan 4.420 nan 0.000 0.267 421 P C 0.765 178.010 177.300 -0.093 0.000 1.195 421 P CA 0.267 63.294 63.100 -0.121 0.000 0.773 421 P CB 0.145 31.832 31.700 -0.021 0.000 0.837 422 A N 1.692 124.478 122.820 -0.057 0.000 1.968 422 A HA 0.077 4.397 4.320 -0.001 0.000 0.217 422 A C 0.896 178.466 177.584 -0.022 0.000 1.169 422 A CA 1.909 53.921 52.037 -0.042 0.000 0.638 422 A CB -0.710 18.271 19.000 -0.031 0.000 0.812 422 A HN 0.661 nan 8.150 nan 0.000 0.446 423 T N -4.849 109.700 114.554 -0.008 0.000 2.868 423 T HA 0.560 4.909 4.350 -0.001 0.000 0.306 423 T C 0.671 175.385 174.700 0.023 0.000 1.224 423 T CA -0.281 61.823 62.100 0.006 0.000 1.012 423 T CB 0.707 69.581 68.868 0.010 0.000 1.221 423 T HN 0.034 nan 8.240 nan 0.000 0.499 424 I N 0.693 121.277 120.570 0.024 0.000 2.226 424 I HA -0.117 4.053 4.170 -0.001 0.000 0.245 424 I C 2.772 178.934 176.117 0.074 0.000 1.100 424 I CA 1.726 63.045 61.300 0.031 0.000 1.374 424 I CB -0.414 37.583 38.000 -0.004 0.000 1.057 424 I HN 0.944 nan 8.210 nan 0.000 0.413 425 E N 1.838 122.079 120.200 0.068 0.000 2.049 425 E HA -0.347 4.003 4.350 -0.001 0.000 0.198 425 E C 2.155 178.811 176.600 0.094 0.000 1.007 425 E CA 2.032 58.492 56.400 0.101 0.000 0.809 425 E CB -0.243 29.491 29.700 0.057 0.000 0.749 425 E HN 0.538 nan 8.360 nan 0.000 0.450 426 E N 0.115 120.346 120.200 0.052 0.000 2.085 426 E HA -0.269 4.081 4.350 -0.001 0.000 0.194 426 E C 1.772 178.402 176.600 0.050 0.000 0.994 426 E CA 1.737 58.156 56.400 0.032 0.000 0.801 426 E CB -0.147 29.562 29.700 0.014 0.000 0.743 426 E HN 0.326 nan 8.360 nan 0.000 0.453 427 D N -0.705 119.743 120.400 0.080 0.000 2.097 427 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 427 D C 1.728 178.123 176.300 0.159 0.000 0.984 427 D CA 0.841 54.905 54.000 0.108 0.000 0.826 427 D CB -0.257 40.612 40.800 0.115 0.000 0.973 427 D HN 0.175 nan 8.370 nan 0.000 0.460 428 F N 1.466 121.407 119.950 -0.016 0.000 2.095 428 F HA -0.179 4.347 4.527 -0.001 0.000 0.298 428 F C 1.924 177.710 175.800 -0.022 0.000 1.104 428 F CA 1.379 59.361 58.000 -0.030 0.000 1.232 428 F CB -0.787 38.181 39.000 -0.052 0.000 0.987 428 F HN -0.014 nan 8.300 nan 0.000 0.475 429 N N 0.891 119.503 118.700 -0.146 0.000 2.039 429 N HA -0.080 4.660 4.740 -0.001 0.000 0.193 429 N C 1.217 176.638 175.510 -0.148 0.000 1.044 429 N CA 1.131 54.026 53.050 -0.259 0.000 0.847 429 N CB -1.165 37.235 38.487 -0.144 0.000 1.030 429 N HN 0.309 nan 8.380 nan 0.000 0.422 430 A N 0.000 122.789 122.820 -0.052 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 430 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 430 A CB 0.000 19.009 19.000 0.015 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486