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 1aij_1_S DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE RELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.892 175.900 -0.014 0.000 1.272 3 Y CA 0.000 58.099 58.100 -0.003 0.000 1.940 3 Y CB 0.000 38.459 38.460 -0.002 0.000 1.050 4 Q N 3.112 122.522 119.800 -0.650 0.000 2.055 4 Q HA 0.225 4.565 4.340 0.001 0.000 0.226 4 Q C -0.246 175.361 176.000 -0.654 0.000 0.805 4 Q CA 0.389 55.881 55.803 -0.517 0.000 1.072 4 Q CB 0.148 28.738 28.738 -0.246 0.000 1.219 4 Q HN 0.908 nan 8.270 nan 0.000 0.451 5 N N 0.749 118.673 118.700 -1.293 0.000 2.721 5 N HA -0.199 4.542 4.740 0.001 0.000 0.249 5 N C 0.613 175.912 175.510 -0.352 0.000 1.072 5 N CA 0.023 52.622 53.050 -0.752 0.000 0.710 5 N CB -0.086 38.168 38.487 -0.388 0.000 0.993 5 N HN 0.176 nan 8.380 nan 0.000 0.547 6 I N -0.682 119.714 120.570 -0.290 0.000 2.585 6 I HA 0.064 4.235 4.170 0.001 0.000 0.254 6 I C 0.522 176.387 176.117 -0.420 0.000 1.129 6 I CA 1.350 62.450 61.300 -0.333 0.000 1.455 6 I CB -0.449 37.390 38.000 -0.269 0.000 1.111 6 I HN 0.054 nan 8.210 nan 0.000 0.433 7 F N 0.225 120.253 119.950 0.129 0.000 2.540 7 F HA 0.375 4.903 4.527 0.001 0.000 0.317 7 F C 0.855 176.859 175.800 0.340 0.000 1.104 7 F CA -0.767 57.385 58.000 0.255 0.000 0.913 7 F CB 1.379 40.518 39.000 0.232 0.000 1.170 7 F HN -0.338 nan 8.300 nan 0.000 0.450 8 S N 1.927 117.946 115.700 0.531 0.000 2.560 8 S HA 0.009 4.480 4.470 0.001 0.000 0.284 8 S C 1.013 175.903 174.600 0.484 0.000 1.327 8 S CA -0.296 58.167 58.200 0.438 0.000 1.055 8 S CB 0.979 64.359 63.200 0.301 0.000 0.868 8 S HN 0.736 nan 8.310 nan 0.000 0.506 9 Q N 0.656 120.594 119.800 0.230 0.000 2.089 9 Q HA 0.125 4.465 4.340 0.001 0.000 0.195 9 Q C 0.324 176.473 176.000 0.250 0.000 0.963 9 Q CA 0.749 56.637 55.803 0.141 0.000 0.834 9 Q CB 0.244 28.886 28.738 -0.161 0.000 0.906 9 Q HN 0.473 nan 8.270 nan 0.000 0.452 10 V N 0.681 120.676 119.914 0.136 0.000 2.638 10 V HA 0.261 4.382 4.120 0.001 0.000 0.306 10 V C -1.649 174.436 176.094 -0.016 0.000 1.052 10 V CA -0.655 61.688 62.300 0.072 0.000 0.885 10 V CB 1.998 33.832 31.823 0.018 0.000 0.999 10 V HN 0.136 nan 8.190 nan 0.000 0.424 11 Q N 3.717 123.437 119.800 -0.133 0.000 2.230 11 Q HA 0.687 5.028 4.340 0.001 0.000 0.253 11 Q C -1.207 174.719 176.000 -0.124 0.000 0.919 11 Q CA -0.575 55.113 55.803 -0.191 0.000 0.908 11 Q CB 2.479 30.980 28.738 -0.394 0.000 1.245 11 Q HN 0.631 nan 8.270 nan 0.000 0.437 12 V N 2.715 122.576 119.914 -0.089 0.000 2.680 12 V HA 0.568 4.688 4.120 0.001 0.000 0.309 12 V C -0.591 175.461 176.094 -0.070 0.000 1.052 12 V CA -0.604 61.654 62.300 -0.070 0.000 0.908 12 V CB 2.064 33.860 31.823 -0.045 0.000 1.001 12 V HN 0.668 nan 8.190 nan 0.000 0.431 13 R N 2.010 122.454 120.500 -0.093 0.000 2.673 13 R HA 0.753 5.093 4.340 0.001 0.000 0.281 13 R C -0.400 175.818 176.300 -0.137 0.000 0.991 13 R CA -0.147 55.877 56.100 -0.126 0.000 0.896 13 R CB 2.294 32.450 30.300 -0.240 0.000 1.201 13 R HN 0.899 nan 8.270 nan 0.000 0.457 14 G N 2.275 111.004 108.800 -0.119 0.000 3.135 14 G HA2 0.536 4.497 3.960 0.001 0.000 0.278 14 G HA3 0.536 4.497 3.960 0.001 0.000 0.278 14 G C -2.626 172.218 174.900 -0.093 0.000 1.302 14 G CA -1.012 44.032 45.100 -0.093 0.000 0.880 14 G HN 0.440 nan 8.290 nan 0.000 0.574 15 P HA 0.390 nan 4.420 nan 0.000 0.266 15 P C 0.078 177.450 177.300 0.119 0.000 1.193 15 P CA 0.066 63.174 63.100 0.013 0.000 0.770 15 P CB 0.590 32.296 31.700 0.011 0.000 0.836 16 A N 2.236 125.174 122.820 0.196 0.000 2.548 16 A HA 0.002 4.322 4.320 0.001 0.000 0.247 16 A C 0.493 178.154 177.584 0.128 0.000 1.067 16 A CA 0.152 52.355 52.037 0.277 0.000 0.757 16 A CB -0.353 18.785 19.000 0.231 0.000 0.996 16 A HN 0.520 nan 8.150 nan 0.000 0.504 17 D N 3.151 123.609 120.400 0.096 0.000 2.402 17 D HA 0.208 4.849 4.640 0.001 0.000 0.235 17 D C 1.033 177.341 176.300 0.013 0.000 1.226 17 D CA 0.017 54.041 54.000 0.040 0.000 0.918 17 D CB 0.435 41.250 40.800 0.026 0.000 1.043 17 D HN 0.542 nan 8.370 nan 0.000 0.506 18 L N 2.620 123.852 121.223 0.016 0.000 2.362 18 L HA 0.101 4.441 4.340 0.001 0.000 0.219 18 L C 1.502 178.372 176.870 -0.001 0.000 1.134 18 L CA 0.460 55.304 54.840 0.007 0.000 0.807 18 L CB -0.594 41.472 42.059 0.011 0.000 0.927 18 L HN 0.553 nan 8.230 nan 0.000 0.447 19 G N -0.523 108.275 108.800 -0.004 0.000 2.541 19 G HA2 -0.108 3.853 3.960 0.001 0.000 0.686 19 G HA3 -0.108 3.853 3.960 0.001 0.000 0.686 19 G C -0.718 174.174 174.900 -0.013 0.000 1.286 19 G CA -0.981 44.111 45.100 -0.012 0.000 0.894 19 G HN -0.166 nan 8.290 nan 0.000 0.575 20 M N 1.254 120.840 119.600 -0.023 0.000 2.180 20 M HA 0.337 4.818 4.480 0.001 0.000 0.358 20 M C 1.704 177.989 176.300 -0.025 0.000 1.233 20 M CA -0.052 55.232 55.300 -0.027 0.000 1.114 20 M CB 0.345 32.922 32.600 -0.039 0.000 1.594 20 M HN 0.701 nan 8.290 nan 0.000 0.467 21 T N 1.065 115.608 114.554 -0.019 0.000 2.643 21 T HA -0.082 4.268 4.350 0.001 0.000 0.256 21 T C 1.100 175.785 174.700 -0.026 0.000 1.061 21 T CA 1.090 63.181 62.100 -0.014 0.000 1.163 21 T CB -0.020 68.843 68.868 -0.009 0.000 0.865 21 T HN 0.753 nan 8.240 nan 0.000 0.407 22 E N 1.017 121.199 120.200 -0.031 0.000 3.360 22 E HA -0.244 4.106 4.350 0.001 0.000 0.397 22 E C 0.009 176.587 176.600 -0.037 0.000 1.549 22 E CA 2.206 58.583 56.400 -0.040 0.000 1.539 22 E CB -1.228 28.438 29.700 -0.057 0.000 1.621 22 E HN 0.591 nan 8.360 nan 0.000 0.465 23 D N -0.264 120.106 120.400 -0.050 0.000 2.462 23 D HA 0.218 4.859 4.640 0.001 0.000 0.221 23 D C -0.453 175.824 176.300 -0.039 0.000 1.173 23 D CA 0.538 54.514 54.000 -0.040 0.000 0.831 23 D CB 0.601 41.372 40.800 -0.048 0.000 1.001 23 D HN 0.325 nan 8.370 nan 0.000 0.499 24 V N -0.114 119.776 119.914 -0.040 0.000 2.686 24 V HA 0.243 4.363 4.120 0.001 0.000 0.295 24 V C 0.347 176.494 176.094 0.088 0.000 1.055 24 V CA -0.919 61.369 62.300 -0.020 0.000 1.050 24 V CB 1.327 33.108 31.823 -0.069 0.000 0.984 24 V HN 0.012 nan 8.190 nan 0.000 0.482 25 N N 4.086 122.897 118.700 0.185 0.000 2.400 25 N HA 0.060 4.800 4.740 0.001 0.000 0.267 25 N C 0.567 176.168 175.510 0.152 0.000 1.208 25 N CA -0.074 53.067 53.050 0.151 0.000 0.951 25 N CB 0.562 39.135 38.487 0.143 0.000 1.227 25 N HN 0.772 nan 8.380 nan 0.000 0.488 26 L N 3.563 124.831 121.223 0.075 0.000 2.349 26 L HA -0.086 4.255 4.340 0.001 0.000 0.220 26 L C 2.162 179.016 176.870 -0.027 0.000 1.130 26 L CA 1.196 56.057 54.840 0.035 0.000 0.791 26 L CB -0.782 41.288 42.059 0.019 0.000 0.918 26 L HN 0.695 nan 8.230 nan 0.000 0.444 27 A N -1.016 121.775 122.820 -0.049 0.000 2.066 27 A HA -0.082 4.239 4.320 0.001 0.000 0.218 27 A C 1.705 179.196 177.584 -0.155 0.000 1.157 27 A CA 1.016 53.005 52.037 -0.081 0.000 0.670 27 A CB -0.363 18.598 19.000 -0.064 0.000 0.804 27 A HN 0.450 nan 8.150 nan 0.000 0.453 28 N N -0.426 118.110 118.700 -0.273 0.000 2.276 28 N HA 0.107 4.847 4.740 0.001 0.000 0.212 28 N C 0.188 175.367 175.510 -0.551 0.000 1.127 28 N CA 0.146 52.892 53.050 -0.508 0.000 0.834 28 N CB 0.116 38.064 38.487 -0.899 0.000 1.014 28 N HN 0.407 nan 8.380 nan 0.000 0.491 29 R N 0.478 120.818 120.500 -0.268 0.000 2.474 29 R HA 0.302 4.642 4.340 0.001 0.000 0.295 29 R C 0.597 176.842 176.300 -0.093 0.000 0.980 29 R CA -0.348 55.676 56.100 -0.127 0.000 0.934 29 R CB 0.870 31.165 30.300 -0.009 0.000 1.101 29 R HN 0.096 nan 8.270 nan 0.000 0.469 30 S N 1.335 116.999 115.700 -0.060 0.000 2.652 30 S HA 0.515 4.985 4.470 0.001 0.000 0.267 30 S C 0.563 175.145 174.600 -0.029 0.000 1.201 30 S CA -0.495 57.677 58.200 -0.046 0.000 0.996 30 S CB 0.963 64.144 63.200 -0.033 0.000 1.054 30 S HN 0.659 nan 8.310 nan 0.000 0.561 31 G N -0.738 108.048 108.800 -0.023 0.000 2.580 31 G HA2 0.494 4.454 3.960 0.001 0.000 0.278 31 G HA3 0.494 4.454 3.960 0.001 0.000 0.278 31 G C -0.542 174.350 174.900 -0.013 0.000 1.212 31 G CA -0.839 44.254 45.100 -0.012 0.000 0.939 31 G HN 0.735 nan 8.290 nan 0.000 0.513 32 V N 0.307 120.218 119.914 -0.005 0.000 2.775 32 V HA 0.482 4.602 4.120 0.001 0.000 0.299 32 V C 1.352 177.436 176.094 -0.018 0.000 1.062 32 V CA 0.499 62.786 62.300 -0.021 0.000 1.063 32 V CB 1.005 32.832 31.823 0.007 0.000 0.994 32 V HN 0.957 nan 8.190 nan 0.000 0.483 33 G N 4.516 113.283 108.800 -0.054 0.000 2.574 33 G HA2 0.565 4.525 3.960 0.001 0.000 0.248 33 G HA3 0.565 4.525 3.960 0.001 0.000 0.248 33 G C -2.644 172.241 174.900 -0.025 0.000 1.422 33 G CA -0.958 44.121 45.100 -0.036 0.000 1.051 33 G HN 0.619 nan 8.290 nan 0.000 0.560 34 P HA 0.359 nan 4.420 nan 0.000 0.274 34 P C -1.190 176.113 177.300 0.006 0.000 1.246 34 P CA -0.296 62.837 63.100 0.055 0.000 0.795 34 P CB 0.571 32.300 31.700 0.049 0.000 1.006 35 F N 0.283 120.228 119.950 -0.009 0.000 2.411 35 F HA 0.343 4.870 4.527 0.001 0.000 0.352 35 F C 0.651 176.441 175.800 -0.016 0.000 1.123 35 F CA -0.084 57.905 58.000 -0.017 0.000 1.044 35 F CB 1.004 39.987 39.000 -0.028 0.000 1.135 35 F HN 0.140 nan 8.300 nan 0.000 0.461 36 S N 1.237 117.004 115.700 0.111 0.000 2.433 36 S HA 0.250 4.720 4.470 0.001 0.000 0.310 36 S C 0.682 175.314 174.600 0.052 0.000 1.097 36 S CA -0.603 57.646 58.200 0.082 0.000 1.103 36 S CB 1.368 64.605 63.200 0.063 0.000 0.992 36 S HN 0.626 nan 8.310 nan 0.000 0.469 37 T N 3.484 118.049 114.554 0.018 0.000 2.778 37 T HA -0.138 4.213 4.350 0.001 0.000 0.269 37 T C 1.621 176.270 174.700 -0.085 0.000 1.050 37 T CA 1.666 63.703 62.100 -0.106 0.000 1.137 37 T CB -0.499 68.327 68.868 -0.070 0.000 0.860 37 T HN 0.580 nan 8.240 nan 0.000 0.468 38 L N 1.099 122.389 121.223 0.113 0.000 1.955 38 L HA -0.034 4.306 4.340 0.001 0.000 0.213 38 L C 2.198 179.218 176.870 0.250 0.000 1.072 38 L CA 1.754 56.747 54.840 0.255 0.000 0.755 38 L CB -0.674 41.491 42.059 0.177 0.000 0.888 38 L HN 0.238 nan 8.230 nan 0.000 0.432 39 L N -0.664 120.653 121.223 0.156 0.000 2.131 39 L HA -0.115 4.226 4.340 0.001 0.000 0.210 39 L C 2.519 179.496 176.870 0.180 0.000 1.092 39 L CA 1.019 55.964 54.840 0.175 0.000 0.759 39 L CB -1.473 40.652 42.059 0.110 0.000 0.903 39 L HN 0.524 nan 8.230 nan 0.000 0.435 40 G N -0.527 108.307 108.800 0.057 0.000 2.462 40 G HA2 -0.260 3.700 3.960 0.001 0.000 0.220 40 G HA3 -0.260 3.700 3.960 0.001 0.000 0.220 40 G C 1.148 176.034 174.900 -0.022 0.000 1.121 40 G CA 0.242 45.317 45.100 -0.041 0.000 0.758 40 G HN 0.430 nan 8.290 nan 0.000 0.559 41 W N -1.265 120.161 121.300 0.210 0.000 2.465 41 W HA 0.222 4.882 4.660 0.001 0.000 0.268 41 W C 1.902 178.671 176.519 0.417 0.000 1.242 41 W CA -0.078 57.437 57.345 0.283 0.000 1.248 41 W CB -0.093 29.538 29.460 0.284 0.000 1.118 41 W HN 0.187 nan 8.180 nan 0.000 0.587 42 F N -1.344 118.838 119.950 0.387 0.000 2.711 42 F HA 0.435 4.962 4.527 0.001 0.000 0.296 42 F C 1.348 177.195 175.800 0.080 0.000 1.096 42 F CA 1.056 59.180 58.000 0.208 0.000 1.280 42 F CB -0.055 39.073 39.000 0.212 0.000 1.060 42 F HN -0.226 nan 8.300 nan 0.000 0.608 43 G N -0.402 108.494 108.800 0.160 0.000 3.100 43 G HA2 0.189 4.149 3.960 0.001 0.000 0.174 43 G HA3 0.189 4.149 3.960 0.001 0.000 0.174 43 G C -1.315 173.614 174.900 0.049 0.000 1.136 43 G CA -0.680 44.442 45.100 0.038 0.000 0.881 43 G HN -0.080 nan 8.290 nan 0.000 0.616 44 N N 0.504 119.225 118.700 0.035 0.000 2.524 44 N HA 0.514 5.255 4.740 0.001 0.000 0.283 44 N C 1.011 176.532 175.510 0.019 0.000 1.142 44 N CA 0.303 53.363 53.050 0.017 0.000 0.984 44 N CB 1.795 40.277 38.487 -0.009 0.000 1.155 44 N HN 0.538 nan 8.380 nan 0.000 0.467 45 A N 1.653 124.491 122.820 0.030 0.000 1.984 45 A HA -0.040 4.280 4.320 0.001 0.000 0.214 45 A C 0.935 178.456 177.584 -0.104 0.000 1.173 45 A CA 0.451 52.518 52.037 0.049 0.000 0.673 45 A CB -0.283 18.828 19.000 0.184 0.000 0.830 45 A HN 0.737 nan 8.150 nan 0.000 0.453 46 Q N 0.379 119.977 119.800 -0.336 0.000 2.289 46 Q HA 0.314 4.654 4.340 0.001 0.000 0.273 46 Q C -1.504 174.244 176.000 -0.420 0.000 1.029 46 Q CA -0.097 55.209 55.803 -0.829 0.000 0.896 46 Q CB 0.275 28.524 28.738 -0.816 0.000 1.182 46 Q HN 0.305 nan 8.270 nan 0.000 0.385 47 L N 3.904 124.901 121.223 -0.377 0.000 2.317 47 L HA 0.677 5.017 4.340 0.001 0.000 0.281 47 L C 0.410 177.171 176.870 -0.181 0.000 1.024 47 L CA 0.945 55.670 54.840 -0.191 0.000 0.810 47 L CB 1.519 43.511 42.059 -0.112 0.000 1.240 47 L HN 0.905 nan 8.230 nan 0.000 0.427 48 G N 3.380 112.112 108.800 -0.113 0.000 2.756 48 G HA2 -0.091 3.869 3.960 0.001 0.000 0.678 48 G HA3 -0.091 3.869 3.960 0.001 0.000 0.678 48 G C -2.987 171.861 174.900 -0.086 0.000 1.349 48 G CA -1.053 43.999 45.100 -0.079 0.000 0.847 48 G HN 0.469 nan 8.290 nan 0.000 0.548 49 P HA 0.672 nan 4.420 nan 0.000 0.277 49 P C 0.001 177.300 177.300 -0.002 0.000 1.271 49 P CA -0.697 62.389 63.100 -0.023 0.000 0.795 49 P CB 0.822 32.515 31.700 -0.011 0.000 1.101 50 I N -0.360 120.217 120.570 0.012 0.000 2.785 50 I HA 0.408 4.578 4.170 0.001 0.000 0.302 50 I C -1.389 174.767 176.117 0.065 0.000 1.069 50 I CA -1.332 59.994 61.300 0.043 0.000 1.045 50 I CB 1.721 39.747 38.000 0.043 0.000 1.236 50 I HN 0.216 nan 8.210 nan 0.000 0.429 51 Y N 7.037 127.305 120.300 -0.054 0.000 2.341 51 Y HA 0.531 5.082 4.550 0.001 0.000 0.340 51 Y C -1.203 174.660 175.900 -0.061 0.000 0.997 51 Y CA -0.376 57.685 58.100 -0.065 0.000 1.149 51 Y CB 0.922 39.327 38.460 -0.092 0.000 1.171 51 Y HN 0.370 nan 8.280 nan 0.000 0.494 52 L N 7.533 128.615 121.223 -0.235 0.000 2.384 52 L HA 0.469 4.809 4.340 0.001 0.000 0.261 52 L C 0.514 177.253 176.870 -0.218 0.000 1.024 52 L CA -0.501 54.267 54.840 -0.119 0.000 0.899 52 L CB 0.718 42.738 42.059 -0.064 0.000 1.243 52 L HN 0.876 nan 8.230 nan 0.000 0.449 53 G N 0.352 109.081 108.800 -0.118 0.000 2.531 53 G HA2 0.253 4.213 3.960 0.001 0.000 0.281 53 G HA3 0.253 4.213 3.960 0.001 0.000 0.281 53 G C 0.820 175.719 174.900 -0.002 0.000 1.382 53 G CA -0.192 44.868 45.100 -0.065 0.000 1.045 53 G HN 0.460 nan 8.290 nan 0.000 0.533 54 S N -0.746 114.963 115.700 0.015 0.000 2.370 54 S HA -0.154 4.316 4.470 0.001 0.000 0.226 54 S C 2.302 176.930 174.600 0.047 0.000 1.033 54 S CA 1.016 59.229 58.200 0.022 0.000 1.011 54 S CB -0.321 62.893 63.200 0.024 0.000 0.852 54 S HN 0.286 nan 8.310 nan 0.000 0.457 55 L N 1.777 123.030 121.223 0.050 0.000 2.056 55 L HA 0.097 4.437 4.340 0.001 0.000 0.207 55 L C 2.452 179.360 176.870 0.064 0.000 1.078 55 L CA 1.712 56.584 54.840 0.054 0.000 0.749 55 L CB -1.468 40.601 42.059 0.016 0.000 0.901 55 L HN 0.352 nan 8.230 nan 0.000 0.433 56 G N -1.436 107.385 108.800 0.035 0.000 2.418 56 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 56 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 56 G C 1.580 176.567 174.900 0.145 0.000 1.158 56 G CA 1.080 46.222 45.100 0.070 0.000 0.771 56 G HN 0.298 nan 8.290 nan 0.000 0.545 57 V N 0.610 120.580 119.914 0.094 0.000 2.307 57 V HA -0.100 4.020 4.120 0.001 0.000 0.245 57 V C 2.654 178.837 176.094 0.148 0.000 1.045 57 V CA 1.583 63.939 62.300 0.093 0.000 1.024 57 V CB -0.396 31.444 31.823 0.027 0.000 0.651 57 V HN 0.360 nan 8.190 nan 0.000 0.449 58 L N -0.021 121.292 121.223 0.149 0.000 2.046 58 L HA -0.125 4.216 4.340 0.001 0.000 0.208 58 L C 2.599 179.612 176.870 0.239 0.000 1.077 58 L CA 2.396 57.360 54.840 0.208 0.000 0.747 58 L CB -0.770 41.391 42.059 0.169 0.000 0.896 58 L HN 0.305 nan 8.230 nan 0.000 0.432 59 S N -0.866 114.973 115.700 0.232 0.000 2.356 59 S HA -0.197 4.273 4.470 0.001 0.000 0.223 59 S C 2.085 176.822 174.600 0.228 0.000 1.032 59 S CA 1.746 60.105 58.200 0.266 0.000 1.005 59 S CB -0.475 62.990 63.200 0.441 0.000 0.867 59 S HN 0.493 nan 8.310 nan 0.000 0.449 60 L N -0.111 121.257 121.223 0.242 0.000 2.042 60 L HA -0.088 4.253 4.340 0.001 0.000 0.210 60 L C 2.286 179.256 176.870 0.166 0.000 1.076 60 L CA 1.776 56.725 54.840 0.181 0.000 0.749 60 L CB -0.441 41.721 42.059 0.172 0.000 0.893 60 L HN 0.419 nan 8.230 nan 0.000 0.432 61 F N 0.007 119.977 119.950 0.033 0.000 2.113 61 F HA -0.222 4.306 4.527 0.001 0.000 0.297 61 F C 2.626 178.398 175.800 -0.046 0.000 1.103 61 F CA 1.797 59.784 58.000 -0.021 0.000 1.248 61 F CB -0.484 38.503 39.000 -0.022 0.000 0.999 61 F HN -0.015 nan 8.300 nan 0.000 0.475 62 S N 0.298 115.938 115.700 -0.100 0.000 2.368 62 S HA -0.132 4.338 4.470 0.001 0.000 0.225 62 S C 2.365 176.923 174.600 -0.070 0.000 1.030 62 S CA 1.181 59.282 58.200 -0.165 0.000 0.999 62 S CB -1.361 61.885 63.200 0.077 0.000 0.844 62 S HN 0.597 nan 8.310 nan 0.000 0.459 63 G N 1.729 110.561 108.800 0.053 0.000 2.421 63 G HA2 -0.119 3.841 3.960 0.001 0.000 0.216 63 G HA3 -0.119 3.841 3.960 0.001 0.000 0.216 63 G C 1.341 176.455 174.900 0.356 0.000 1.171 63 G CA 0.574 45.809 45.100 0.225 0.000 0.775 63 G HN 0.435 nan 8.290 nan 0.000 0.543 64 L N 0.025 121.315 121.223 0.112 0.000 2.141 64 L HA -0.033 4.307 4.340 0.001 0.000 0.209 64 L C 3.019 179.884 176.870 -0.008 0.000 1.094 64 L CA 0.539 55.414 54.840 0.059 0.000 0.763 64 L CB -0.252 41.778 42.059 -0.048 0.000 0.908 64 L HN 0.157 nan 8.230 nan 0.000 0.437 65 M N -1.559 117.845 119.600 -0.326 0.000 2.229 65 M HA -0.213 4.268 4.480 0.001 0.000 0.264 65 M C 2.051 178.322 176.300 -0.050 0.000 1.063 65 M CA 1.489 56.481 55.300 -0.513 0.000 1.114 65 M CB -1.127 30.521 32.600 -1.587 0.000 1.387 65 M HN 0.437 nan 8.290 nan 0.000 0.420 66 W N 0.885 122.139 121.300 -0.076 0.000 2.354 66 W HA -0.221 4.440 4.660 0.001 0.000 0.315 66 W C 1.931 178.394 176.519 -0.093 0.000 1.206 66 W CA 1.516 58.852 57.345 -0.016 0.000 1.290 66 W CB -1.000 28.399 29.460 -0.100 0.000 1.152 66 W HN 0.089 nan 8.180 nan 0.000 0.489 67 F N -0.375 119.444 119.950 -0.218 0.000 2.091 67 F HA -0.215 4.313 4.527 0.001 0.000 0.299 67 F C 2.395 178.085 175.800 -0.183 0.000 1.103 67 F CA 2.234 60.020 58.000 -0.357 0.000 1.228 67 F CB -1.460 37.453 39.000 -0.144 0.000 0.984 67 F HN -0.065 nan 8.300 nan 0.000 0.477 68 F N 0.726 120.685 119.950 0.015 0.000 2.134 68 F HA -0.213 4.315 4.527 0.001 0.000 0.299 68 F C 2.388 178.193 175.800 0.009 0.000 1.097 68 F CA 2.037 60.042 58.000 0.010 0.000 1.264 68 F CB -0.927 38.056 39.000 -0.029 0.000 1.001 68 F HN -0.162 nan 8.300 nan 0.000 0.479 69 T N 1.451 116.027 114.554 0.037 0.000 2.674 69 T HA -0.172 4.178 4.350 0.001 0.000 0.265 69 T C 2.150 176.766 174.700 -0.140 0.000 1.039 69 T CA 2.003 64.091 62.100 -0.020 0.000 1.150 69 T CB -0.509 68.443 68.868 0.140 0.000 0.864 69 T HN 0.260 nan 8.240 nan 0.000 0.427 70 I N 1.237 121.607 120.570 -0.334 0.000 2.163 70 I HA -0.143 4.028 4.170 0.001 0.000 0.243 70 I C 2.903 178.723 176.117 -0.494 0.000 1.085 70 I CA 1.415 62.417 61.300 -0.497 0.000 1.347 70 I CB -0.755 36.700 38.000 -0.907 0.000 1.044 70 I HN 0.333 nan 8.210 nan 0.000 0.408 71 G N 0.701 109.299 108.800 -0.336 0.000 2.418 71 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 71 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 71 G C 1.765 176.759 174.900 0.157 0.000 1.158 71 G CA 0.543 45.615 45.100 -0.047 0.000 0.771 71 G HN 0.400 nan 8.290 nan 0.000 0.545 72 I N -0.887 119.673 120.570 -0.017 0.000 2.394 72 I HA -0.038 4.133 4.170 0.001 0.000 0.251 72 I C 2.399 178.628 176.117 0.186 0.000 1.136 72 I CA 0.786 62.123 61.300 0.062 0.000 1.425 72 I CB -0.049 37.825 38.000 -0.211 0.000 1.079 72 I HN 0.489 nan 8.210 nan 0.000 0.425 73 W N 0.877 122.199 121.300 0.035 0.000 2.379 73 W HA -0.276 4.384 4.660 0.001 0.000 0.307 73 W C 2.079 178.703 176.519 0.175 0.000 1.200 73 W CA 1.031 58.458 57.345 0.135 0.000 1.297 73 W CB -0.308 29.267 29.460 0.192 0.000 1.140 73 W HN 0.095 nan 8.180 nan 0.000 0.507 74 F N -0.422 119.397 119.950 -0.218 0.000 2.134 74 F HA -0.143 4.385 4.527 0.001 0.000 0.299 74 F C 2.071 177.384 175.800 -0.811 0.000 1.097 74 F CA 0.979 58.566 58.000 -0.688 0.000 1.264 74 F CB -1.736 37.058 39.000 -0.344 0.000 1.001 74 F HN -0.053 nan 8.300 nan 0.000 0.479 75 W N -1.387 119.786 121.300 -0.212 0.000 2.363 75 W HA -0.236 4.425 4.660 0.001 0.000 0.296 75 W C 2.628 178.509 176.519 -1.063 0.000 1.212 75 W CA 1.472 58.558 57.345 -0.431 0.000 1.260 75 W CB -0.964 28.351 29.460 -0.242 0.000 1.131 75 W HN 0.046 nan 8.180 nan 0.000 0.530 76 Y N 1.274 120.913 120.300 -1.102 0.000 2.114 76 Y HA -0.319 4.231 4.550 0.001 0.000 0.284 76 Y C 2.333 177.675 175.900 -0.931 0.000 1.143 76 Y CA 2.215 59.547 58.100 -1.280 0.000 1.135 76 Y CB -0.916 37.119 38.460 -0.709 0.000 0.980 76 Y HN -0.001 nan 8.280 nan 0.000 0.499 77 Q N -0.414 118.740 119.800 -1.077 0.000 2.234 77 Q HA -0.148 4.192 4.340 0.001 0.000 0.206 77 Q C 2.089 177.698 176.000 -0.652 0.000 0.980 77 Q CA 1.108 56.340 55.803 -0.950 0.000 0.869 77 Q CB -0.308 27.891 28.738 -0.898 0.000 0.912 77 Q HN 0.606 nan 8.270 nan 0.000 0.436 78 A N 0.038 122.449 122.820 -0.682 0.000 2.238 78 A HA 0.259 4.579 4.320 0.001 0.000 0.208 78 A C 1.399 178.852 177.584 -0.220 0.000 1.177 78 A CA 0.653 52.525 52.037 -0.275 0.000 0.804 78 A CB -0.367 18.532 19.000 -0.168 0.000 0.823 78 A HN 0.429 nan 8.150 nan 0.000 0.482 79 G N -2.180 106.362 108.800 -0.431 0.000 2.249 79 G HA2 -0.316 3.645 3.960 0.001 0.000 0.273 79 G HA3 -0.316 3.645 3.960 0.001 0.000 0.273 79 G C 0.283 175.184 174.900 0.002 0.000 1.036 79 G CA 0.201 45.139 45.100 -0.269 0.000 0.824 79 G HN 1.070 nan 8.290 nan 0.000 0.504 80 W N -2.098 119.274 121.300 0.119 0.000 4.650 80 W HA -0.214 4.447 4.660 0.001 0.000 0.335 80 W C 0.754 177.445 176.519 0.287 0.000 1.222 80 W CA 0.443 57.938 57.345 0.250 0.000 0.807 80 W CB -1.774 27.742 29.460 0.092 0.000 2.290 80 W HN 0.632 nan 8.180 nan 0.000 1.514 81 N N 0.804 119.722 118.700 0.363 0.000 2.426 81 N HA 0.205 4.945 4.740 0.001 0.000 0.257 81 N C -1.215 174.496 175.510 0.335 0.000 1.002 81 N CA -1.923 51.304 53.050 0.294 0.000 0.942 81 N CB 1.595 40.177 38.487 0.159 0.000 1.112 81 N HN -0.240 nan 8.380 nan 0.000 0.499 82 P HA -0.078 nan 4.420 nan 0.000 0.216 82 P C 0.759 178.187 177.300 0.212 0.000 1.150 82 P CA 1.321 64.648 63.100 0.378 0.000 0.837 82 P CB 0.283 32.212 31.700 0.381 0.000 0.786 83 A N -0.896 122.017 122.820 0.154 0.000 1.968 83 A HA -0.103 4.218 4.320 0.001 0.000 0.217 83 A C 2.280 179.898 177.584 0.056 0.000 1.169 83 A CA 1.401 53.492 52.037 0.089 0.000 0.638 83 A CB -1.525 17.512 19.000 0.061 0.000 0.812 83 A HN 0.031 nan 8.150 nan 0.000 0.446 84 V N -1.326 118.633 119.914 0.075 0.000 2.379 84 V HA -0.185 3.935 4.120 0.001 0.000 0.245 84 V C 2.214 178.365 176.094 0.094 0.000 1.044 84 V CA 1.873 64.201 62.300 0.046 0.000 1.036 84 V CB -0.879 30.980 31.823 0.060 0.000 0.664 84 V HN 0.642 nan 8.190 nan 0.000 0.453 85 F N 0.547 120.455 119.950 -0.069 0.000 2.095 85 F HA -0.207 4.321 4.527 0.001 0.000 0.298 85 F C 2.018 177.782 175.800 -0.059 0.000 1.104 85 F CA 1.835 59.758 58.000 -0.127 0.000 1.232 85 F CB -0.169 38.343 39.000 -0.814 0.000 0.987 85 F HN 0.031 nan 8.300 nan 0.000 0.475 86 L N 0.309 121.549 121.223 0.028 0.000 2.109 86 L HA -0.151 4.189 4.340 0.001 0.000 0.207 86 L C 2.627 179.381 176.870 -0.193 0.000 1.086 86 L CA 1.578 56.369 54.840 -0.081 0.000 0.760 86 L CB -0.735 41.346 42.059 0.037 0.000 0.910 86 L HN 0.183 nan 8.230 nan 0.000 0.437 87 R N -0.544 119.858 120.500 -0.163 0.000 2.115 87 R HA -0.072 4.269 4.340 0.001 0.000 0.226 87 R C 0.679 176.801 176.300 -0.297 0.000 1.100 87 R CA 1.361 57.336 56.100 -0.208 0.000 0.980 87 R CB -0.306 29.889 30.300 -0.175 0.000 0.875 87 R HN 0.187 nan 8.270 nan 0.000 0.445 88 D N 0.552 120.692 120.400 -0.434 0.000 2.388 88 D HA 0.083 4.723 4.640 0.001 0.000 0.221 88 D C 1.408 177.140 176.300 -0.947 0.000 1.133 88 D CA -0.116 53.472 54.000 -0.687 0.000 0.831 88 D CB 0.393 40.545 40.800 -1.080 0.000 0.962 88 D HN 0.158 nan 8.370 nan 0.000 0.502 89 L N -0.023 120.844 121.223 -0.593 0.000 2.013 89 L HA -0.221 4.120 4.340 0.001 0.000 0.212 89 L C 1.511 178.284 176.870 -0.163 0.000 1.073 89 L CA 1.319 55.919 54.840 -0.399 0.000 0.753 89 L CB -0.109 41.725 42.059 -0.375 0.000 0.890 89 L HN 0.042 nan 8.230 nan 0.000 0.432 90 F N -1.529 118.095 119.950 -0.542 0.000 2.780 90 F HA -0.024 4.503 4.527 0.001 0.000 0.299 90 F C 1.912 177.084 175.800 -1.048 0.000 1.146 90 F CA 0.184 57.650 58.000 -0.890 0.000 1.428 90 F CB -0.892 37.253 39.000 -1.426 0.000 1.115 90 F HN 0.027 nan 8.300 nan 0.000 0.583 91 F N -1.664 117.960 119.950 -0.543 0.000 2.619 91 F HA 0.105 4.633 4.527 0.001 0.000 0.293 91 F C 0.946 176.503 175.800 -0.405 0.000 1.119 91 F CA -0.314 57.461 58.000 -0.376 0.000 1.445 91 F CB -0.638 38.117 39.000 -0.409 0.000 1.119 91 F HN -0.338 nan 8.300 nan 0.000 0.573 92 F N 0.304 120.042 119.950 -0.354 0.000 2.485 92 F HA 0.354 4.882 4.527 0.001 0.000 0.327 92 F C 0.745 176.194 175.800 -0.584 0.000 1.203 92 F CA -0.603 56.973 58.000 -0.706 0.000 1.295 92 F CB 0.260 38.316 39.000 -1.572 0.000 1.191 92 F HN -0.358 nan 8.300 nan 0.000 0.588 93 S N 1.810 117.514 115.700 0.006 0.000 2.592 93 S HA 0.394 4.864 4.470 0.001 0.000 0.275 93 S C -1.475 173.518 174.600 0.654 0.000 1.169 93 S CA -0.776 57.636 58.200 0.354 0.000 0.958 93 S CB 0.605 63.966 63.200 0.268 0.000 1.095 93 S HN 0.624 nan 8.310 nan 0.000 0.471 94 L N 4.560 126.207 121.223 0.708 0.000 2.259 94 L HA 0.491 4.832 4.340 0.001 0.000 0.288 94 L C -0.250 176.840 176.870 0.367 0.000 1.051 94 L CA -0.344 54.755 54.840 0.433 0.000 0.824 94 L CB 0.575 42.925 42.059 0.485 0.000 1.206 94 L HN 0.678 nan 8.230 nan 0.000 0.429 95 E N 6.282 126.557 120.200 0.125 0.000 2.266 95 E HA 0.369 4.719 4.350 0.001 0.000 0.277 95 E C -2.236 174.181 176.600 -0.305 0.000 1.018 95 E CA -1.805 54.576 56.400 -0.032 0.000 0.840 95 E CB 1.200 30.904 29.700 0.006 0.000 1.082 95 E HN 0.382 nan 8.360 nan 0.000 0.395 96 P HA 0.153 nan 4.420 nan 0.000 0.273 96 P C -2.518 174.506 177.300 -0.461 0.000 1.250 96 P CA -1.287 61.065 63.100 -1.247 0.000 0.793 96 P CB -0.564 30.121 31.700 -1.691 0.000 1.011 97 P HA -0.012 nan 4.420 nan 0.000 0.266 97 P C -0.079 177.252 177.300 0.052 0.000 1.193 97 P CA 0.582 63.659 63.100 -0.038 0.000 0.770 97 P CB 0.009 31.756 31.700 0.079 0.000 0.836 98 A N 5.252 128.187 122.820 0.191 0.000 2.406 98 A HA 0.210 4.531 4.320 0.001 0.000 0.243 98 A C -1.215 176.442 177.584 0.121 0.000 1.082 98 A CA -0.711 51.414 52.037 0.147 0.000 0.786 98 A CB -1.099 18.005 19.000 0.174 0.000 1.029 98 A HN 0.438 nan 8.150 nan 0.000 0.495 99 P HA -0.174 nan 4.420 nan 0.000 0.216 99 P C 0.804 178.088 177.300 -0.026 0.000 1.150 99 P CA 1.612 64.714 63.100 0.002 0.000 0.843 99 P CB 0.106 31.794 31.700 -0.020 0.000 0.787 100 E N -1.842 118.310 120.200 -0.079 0.000 2.219 100 E HA -0.199 4.152 4.350 0.001 0.000 0.198 100 E C 1.427 177.867 176.600 -0.266 0.000 0.998 100 E CA 1.213 57.492 56.400 -0.202 0.000 0.818 100 E CB -1.030 28.482 29.700 -0.314 0.000 0.741 100 E HN 0.472 nan 8.360 nan 0.000 0.477 101 Y N -0.367 119.932 120.300 -0.002 0.000 2.511 101 Y HA 0.170 4.721 4.550 0.001 0.000 0.279 101 Y C 1.796 177.687 175.900 -0.014 0.000 1.157 101 Y CA 0.479 58.587 58.100 0.012 0.000 1.300 101 Y CB -0.149 38.345 38.460 0.057 0.000 1.052 101 Y HN 0.108 nan 8.280 nan 0.000 0.529 102 G N 0.873 109.701 108.800 0.048 0.000 2.622 102 G HA2 -0.356 3.604 3.960 0.001 0.000 0.307 102 G HA3 -0.356 3.604 3.960 0.001 0.000 0.307 102 G C 0.556 175.362 174.900 -0.157 0.000 1.226 102 G CA 0.648 45.706 45.100 -0.069 0.000 0.997 102 G HN 0.268 nan 8.290 nan 0.000 0.551 103 L N 1.930 122.982 121.223 -0.286 0.000 2.818 103 L HA 0.372 4.713 4.340 0.001 0.000 0.243 103 L C 1.514 178.260 176.870 -0.208 0.000 1.185 103 L CA 0.453 54.961 54.840 -0.554 0.000 0.988 103 L CB 0.148 41.800 42.059 -0.678 0.000 1.292 103 L HN 0.649 nan 8.230 nan 0.000 0.519 104 S N -1.220 114.448 115.700 -0.052 0.000 2.617 104 S HA 0.282 4.752 4.470 0.001 0.000 0.269 104 S C 0.287 174.893 174.600 0.010 0.000 1.292 104 S CA -0.405 57.736 58.200 -0.099 0.000 1.010 104 S CB 0.741 63.971 63.200 0.051 0.000 0.944 104 S HN 0.121 nan 8.310 nan 0.000 0.536 105 F N 0.396 120.451 119.950 0.174 0.000 2.660 105 F HA 0.416 4.944 4.527 0.001 0.000 0.302 105 F C 1.869 177.671 175.800 0.003 0.000 1.103 105 F CA -0.599 57.446 58.000 0.075 0.000 1.340 105 F CB -0.817 38.205 39.000 0.036 0.000 1.048 105 F HN 0.785 nan 8.300 nan 0.000 0.551 106 A N 0.135 123.046 122.820 0.151 0.000 2.327 106 A HA 0.554 4.875 4.320 0.001 0.000 0.228 106 A C 1.289 178.817 177.584 -0.093 0.000 1.275 106 A CA 0.165 52.251 52.037 0.082 0.000 0.875 106 A CB -1.027 18.062 19.000 0.148 0.000 0.925 106 A HN 0.119 nan 8.150 nan 0.000 0.493 107 A N 1.220 123.861 122.820 -0.298 0.000 2.450 107 A HA 0.547 4.868 4.320 0.001 0.000 0.255 107 A C -2.345 175.045 177.584 -0.322 0.000 1.096 107 A CA -1.198 50.413 52.037 -0.710 0.000 0.778 107 A CB -0.259 18.347 19.000 -0.656 0.000 1.031 107 A HN 0.265 nan 8.150 nan 0.000 0.494 108 P HA 0.020 nan 4.420 nan 0.000 0.266 108 P C 1.009 178.246 177.300 -0.106 0.000 1.193 108 P CA -0.169 62.872 63.100 -0.098 0.000 0.770 108 P CB 0.405 32.089 31.700 -0.027 0.000 0.836 109 L N 1.784 122.966 121.223 -0.068 0.000 2.043 109 L HA -0.226 4.114 4.340 0.001 0.000 0.212 109 L C 1.885 178.676 176.870 -0.131 0.000 1.075 109 L CA 1.849 56.642 54.840 -0.079 0.000 0.752 109 L CB -0.640 41.397 42.059 -0.036 0.000 0.891 109 L HN 0.483 nan 8.230 nan 0.000 0.432 110 K N -0.017 120.335 120.400 -0.080 0.000 2.486 110 K HA -0.050 4.270 4.320 0.001 0.000 0.194 110 K C 0.468 176.981 176.600 -0.146 0.000 1.033 110 K CA 0.570 56.800 56.287 -0.094 0.000 1.004 110 K CB 0.144 32.724 32.500 0.134 0.000 0.798 110 K HN 0.378 nan 8.250 nan 0.000 0.495 111 E N -0.462 119.665 120.200 -0.121 0.000 2.989 111 E HA 0.140 4.490 4.350 0.001 0.000 0.207 111 E C 0.310 176.819 176.600 -0.153 0.000 0.989 111 E CA -0.191 56.156 56.400 -0.088 0.000 1.186 111 E CB 1.207 30.902 29.700 -0.008 0.000 1.141 111 E HN 0.359 nan 8.360 nan 0.000 0.454 112 G N -0.053 108.642 108.800 -0.174 0.000 2.284 112 G HA2 -0.253 3.707 3.960 0.001 0.000 0.201 112 G HA3 -0.253 3.707 3.960 0.001 0.000 0.201 112 G C 1.092 175.970 174.900 -0.038 0.000 0.998 112 G CA -0.180 44.856 45.100 -0.107 0.000 0.651 112 G HN 0.458 nan 8.290 nan 0.000 0.489 113 G N 0.674 109.410 108.800 -0.105 0.000 2.418 113 G HA2 0.085 4.046 3.960 0.001 0.000 0.217 113 G HA3 0.085 4.046 3.960 0.001 0.000 0.217 113 G C 1.712 176.579 174.900 -0.055 0.000 1.158 113 G CA 1.595 46.649 45.100 -0.077 0.000 0.771 113 G HN 0.521 nan 8.290 nan 0.000 0.545 114 L N -0.614 120.562 121.223 -0.078 0.000 2.046 114 L HA 0.063 4.403 4.340 0.001 0.000 0.208 114 L C 2.364 179.233 176.870 -0.002 0.000 1.077 114 L CA 1.129 55.931 54.840 -0.064 0.000 0.747 114 L CB -1.056 40.916 42.059 -0.144 0.000 0.896 114 L HN 0.528 nan 8.230 nan 0.000 0.432 115 W N -0.140 121.079 121.300 -0.136 0.000 2.338 115 W HA -0.245 4.415 4.660 0.000 0.000 0.304 115 W C 2.342 178.847 176.519 -0.023 0.000 1.212 115 W CA 1.673 59.013 57.345 -0.007 0.000 1.264 115 W CB -0.170 29.264 29.460 -0.044 0.000 1.142 115 W HN 0.075 nan 8.180 nan 0.000 0.512 116 L N 0.063 121.366 121.223 0.134 0.000 2.083 116 L HA -0.251 4.089 4.340 0.001 0.000 0.209 116 L C 2.385 179.104 176.870 -0.251 0.000 1.083 116 L CA 1.464 56.234 54.840 -0.117 0.000 0.752 116 L CB -0.798 41.223 42.059 -0.063 0.000 0.899 116 L HN 0.055 nan 8.230 nan 0.000 0.433 117 I N -0.345 120.097 120.570 -0.214 0.000 2.252 117 I HA -0.260 3.911 4.170 0.001 0.000 0.245 117 I C 2.800 178.748 176.117 -0.281 0.000 1.102 117 I CA 1.120 62.233 61.300 -0.312 0.000 1.385 117 I CB -0.447 37.434 38.000 -0.199 0.000 1.064 117 I HN 0.185 nan 8.210 nan 0.000 0.414 118 A N 0.183 122.934 122.820 -0.115 0.000 1.902 118 A HA -0.197 4.123 4.320 0.001 0.000 0.217 118 A C 2.473 180.064 177.584 0.011 0.000 1.181 118 A CA 2.195 54.253 52.037 0.034 0.000 0.623 118 A CB -0.769 18.089 19.000 -0.236 0.000 0.818 118 A HN 0.386 nan 8.150 nan 0.000 0.443 119 S N -1.144 114.414 115.700 -0.237 0.000 2.399 119 S HA -0.131 4.339 4.470 0.001 0.000 0.231 119 S C 1.607 176.277 174.600 0.116 0.000 1.022 119 S CA 1.404 59.514 58.200 -0.151 0.000 0.983 119 S CB -0.496 62.293 63.200 -0.685 0.000 0.803 119 S HN 0.627 nan 8.310 nan 0.000 0.480 120 F N 1.687 121.535 119.950 -0.170 0.000 2.113 120 F HA -0.071 4.456 4.527 0.001 0.000 0.297 120 F C 1.640 177.457 175.800 0.028 0.000 1.103 120 F CA 1.252 59.157 58.000 -0.158 0.000 1.248 120 F CB -0.349 38.381 39.000 -0.450 0.000 0.999 120 F HN 0.105 nan 8.300 nan 0.000 0.475 121 F N -0.030 119.984 119.950 0.107 0.000 2.186 121 F HA -0.162 4.365 4.527 0.001 0.000 0.299 121 F C 2.586 178.333 175.800 -0.088 0.000 1.090 121 F CA 1.403 59.412 58.000 0.014 0.000 1.307 121 F CB -1.215 37.859 39.000 0.124 0.000 1.019 121 F HN 0.065 nan 8.300 nan 0.000 0.489 122 M N -1.258 118.330 119.600 -0.020 0.000 2.132 122 M HA -0.222 4.259 4.480 0.001 0.000 0.263 122 M C 2.300 178.588 176.300 -0.020 0.000 1.065 122 M CA 1.646 56.709 55.300 -0.395 0.000 1.122 122 M CB -0.421 31.727 32.600 -0.753 0.000 1.365 122 M HN 0.156 nan 8.290 nan 0.000 0.411 123 F N 0.390 120.403 119.950 0.107 0.000 2.069 123 F HA -0.235 4.293 4.527 0.001 0.000 0.298 123 F C 1.900 177.774 175.800 0.123 0.000 1.113 123 F CA 2.046 60.170 58.000 0.207 0.000 1.214 123 F CB -0.515 38.450 39.000 -0.058 0.000 0.978 123 F HN -0.087 nan 8.300 nan 0.000 0.474 124 V N 0.421 120.399 119.914 0.106 0.000 2.343 124 V HA -0.290 3.830 4.120 0.001 0.000 0.247 124 V C 2.690 178.822 176.094 0.062 0.000 1.051 124 V CA 1.662 63.993 62.300 0.052 0.000 1.036 124 V CB -1.615 30.185 31.823 -0.039 0.000 0.654 124 V HN 0.500 nan 8.190 nan 0.000 0.451 125 A N -0.045 122.787 122.820 0.020 0.000 1.883 125 A HA -0.176 4.144 4.320 0.001 0.000 0.217 125 A C 2.402 179.975 177.584 -0.018 0.000 1.186 125 A CA 2.285 54.331 52.037 0.014 0.000 0.624 125 A CB -0.756 18.203 19.000 -0.068 0.000 0.822 125 A HN 0.334 nan 8.150 nan 0.000 0.444 126 V N -2.541 117.232 119.914 -0.235 0.000 2.358 126 V HA -0.261 3.860 4.120 0.001 0.000 0.246 126 V C 2.235 178.162 176.094 -0.278 0.000 1.047 126 V CA 1.729 63.792 62.300 -0.395 0.000 1.035 126 V CB -0.937 30.251 31.823 -1.058 0.000 0.658 126 V HN 0.783 nan 8.190 nan 0.000 0.452 127 W N 0.685 121.877 121.300 -0.180 0.000 2.436 127 W HA -0.137 4.523 4.660 0.000 0.000 0.284 127 W C 2.906 179.484 176.519 0.099 0.000 1.225 127 W CA 1.310 58.590 57.345 -0.109 0.000 1.271 127 W CB -0.250 28.992 29.460 -0.363 0.000 1.114 127 W HN 0.348 nan 8.180 nan 0.000 0.559 128 S N -1.071 114.806 115.700 0.296 0.000 2.387 128 S HA -0.229 4.241 4.470 0.001 0.000 0.226 128 S C 1.680 176.428 174.600 0.246 0.000 1.026 128 S CA 0.770 59.121 58.200 0.251 0.000 0.972 128 S CB -1.267 62.052 63.200 0.199 0.000 0.814 128 S HN 0.456 nan 8.310 nan 0.000 0.477 129 W N 1.022 122.395 121.300 0.122 0.000 2.363 129 W HA -0.122 4.538 4.660 0.000 0.000 0.296 129 W C 1.946 178.608 176.519 0.239 0.000 1.212 129 W CA 1.156 58.584 57.345 0.138 0.000 1.260 129 W CB -0.469 29.069 29.460 0.130 0.000 1.131 129 W HN 0.506 nan 8.180 nan 0.000 0.530 130 W N 1.451 122.935 121.300 0.307 0.000 2.355 130 W HA -0.122 4.539 4.660 0.000 0.000 0.309 130 W C 2.508 179.115 176.519 0.146 0.000 1.206 130 W CA 3.364 60.835 57.345 0.211 0.000 1.284 130 W CB -0.940 28.393 29.460 -0.213 0.000 1.145 130 W HN -0.115 nan 8.180 nan 0.000 0.502 131 G N 0.485 109.345 108.800 0.101 0.000 2.469 131 G HA2 -0.380 3.580 3.960 0.001 0.000 0.219 131 G HA3 -0.380 3.580 3.960 0.001 0.000 0.219 131 G C 1.624 176.372 174.900 -0.253 0.000 1.150 131 G CA 1.278 46.307 45.100 -0.118 0.000 0.763 131 G HN 0.362 nan 8.290 nan 0.000 0.561 132 R N 0.372 120.723 120.500 -0.248 0.000 2.081 132 R HA -0.123 4.217 4.340 0.001 0.000 0.235 132 R C 2.883 178.919 176.300 -0.440 0.000 1.131 132 R CA 2.193 58.067 56.100 -0.376 0.000 0.960 132 R CB -0.691 29.261 30.300 -0.579 0.000 0.856 132 R HN 0.482 nan 8.270 nan 0.000 0.436 133 T N -2.058 112.224 114.554 -0.454 0.000 2.881 133 T HA -0.200 4.150 4.350 0.001 0.000 0.270 133 T C 1.750 176.206 174.700 -0.406 0.000 1.068 133 T CA 1.165 63.030 62.100 -0.391 0.000 1.131 133 T CB -0.475 68.245 68.868 -0.245 0.000 0.871 133 T HN 0.435 nan 8.240 nan 0.000 0.479 134 Y N 1.696 121.619 120.300 -0.628 0.000 2.130 134 Y HA 0.216 4.766 4.550 0.000 0.000 0.287 134 Y C 2.197 177.843 175.900 -0.423 0.000 1.124 134 Y CA 0.990 58.732 58.100 -0.597 0.000 1.118 134 Y CB -0.340 37.670 38.460 -0.750 0.000 0.994 134 Y HN 0.102 nan 8.280 nan 0.000 0.497 135 L N -0.085 121.050 121.223 -0.148 0.000 2.083 135 L HA -0.231 4.109 4.340 0.001 0.000 0.209 135 L C 2.507 179.198 176.870 -0.299 0.000 1.083 135 L CA 1.131 55.871 54.840 -0.166 0.000 0.752 135 L CB -0.506 41.475 42.059 -0.129 0.000 0.899 135 L HN 0.189 nan 8.230 nan 0.000 0.433 136 R N 0.054 120.336 120.500 -0.363 0.000 2.115 136 R HA -0.057 4.283 4.340 0.001 0.000 0.230 136 R C 2.245 178.338 176.300 -0.346 0.000 1.111 136 R CA 1.301 57.157 56.100 -0.406 0.000 0.976 136 R CB -0.651 29.404 30.300 -0.410 0.000 0.870 136 R HN 0.355 nan 8.270 nan 0.000 0.445 137 A N 0.942 123.547 122.820 -0.358 0.000 1.897 137 A HA -0.172 4.149 4.320 0.001 0.000 0.215 137 A C 2.196 179.581 177.584 -0.330 0.000 1.181 137 A CA 1.104 52.937 52.037 -0.340 0.000 0.620 137 A CB -0.439 18.315 19.000 -0.410 0.000 0.821 137 A HN 0.318 nan 8.150 nan 0.000 0.443 138 Q N -0.418 119.150 119.800 -0.387 0.000 2.061 138 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 138 Q C 2.163 178.036 176.000 -0.211 0.000 0.984 138 Q CA 1.823 57.440 55.803 -0.310 0.000 0.846 138 Q CB -0.350 28.218 28.738 -0.285 0.000 0.902 138 Q HN 0.609 nan 8.270 nan 0.000 0.421 139 A N 0.234 122.924 122.820 -0.216 0.000 2.019 139 A HA -0.102 4.219 4.320 0.001 0.000 0.219 139 A C 1.768 179.258 177.584 -0.157 0.000 1.164 139 A CA 0.972 52.902 52.037 -0.178 0.000 0.644 139 A CB -0.313 18.549 19.000 -0.230 0.000 0.805 139 A HN 0.447 nan 8.150 nan 0.000 0.449 140 L N -1.434 119.683 121.223 -0.176 0.000 2.607 140 L HA 0.236 4.576 4.340 0.001 0.000 0.228 140 L C 1.615 178.410 176.870 -0.125 0.000 1.123 140 L CA 0.452 55.208 54.840 -0.141 0.000 0.890 140 L CB -0.020 41.949 42.059 -0.150 0.000 1.103 140 L HN 0.546 nan 8.230 nan 0.000 0.468 141 G N 0.219 108.937 108.800 -0.136 0.000 2.162 141 G HA2 -0.316 3.644 3.960 0.001 0.000 0.260 141 G HA3 -0.316 3.644 3.960 0.001 0.000 0.260 141 G C 0.313 175.139 174.900 -0.124 0.000 0.976 141 G CA 0.123 45.153 45.100 -0.117 0.000 0.655 141 G HN 0.273 nan 8.290 nan 0.000 0.533 142 M N 0.815 120.322 119.600 -0.155 0.000 2.255 142 M HA 0.492 4.973 4.480 0.001 0.000 0.336 142 M C 1.386 177.584 176.300 -0.170 0.000 1.135 142 M CA 0.246 55.460 55.300 -0.144 0.000 1.145 142 M CB 0.794 33.300 32.600 -0.156 0.000 1.473 142 M HN 0.228 nan 8.290 nan 0.000 0.462 143 G N 1.322 110.068 108.800 -0.090 0.000 2.554 143 G HA2 0.088 4.048 3.960 0.001 0.000 0.238 143 G HA3 0.088 4.048 3.960 0.001 0.000 0.238 143 G C 0.226 174.979 174.900 -0.244 0.000 1.259 143 G CA -0.615 44.431 45.100 -0.089 0.000 0.843 143 G HN 0.637 nan 8.290 nan 0.000 0.582 144 K N 0.956 121.045 120.400 -0.518 0.000 2.911 144 K HA 0.071 4.392 4.320 0.001 0.000 0.239 144 K C 1.063 177.140 176.600 -0.872 0.000 1.090 144 K CA -0.081 55.694 56.287 -0.853 0.000 1.225 144 K CB -0.258 31.455 32.500 -1.311 0.000 1.087 144 K HN 0.626 nan 8.250 nan 0.000 0.464 145 H N -0.114 118.700 119.070 -0.426 0.000 2.423 145 H HA -0.058 4.498 4.556 0.000 0.000 0.297 145 H C 1.647 176.879 175.328 -0.159 0.000 1.075 145 H CA 1.835 57.753 56.048 -0.216 0.000 1.342 145 H CB 0.147 29.846 29.762 -0.105 0.000 1.395 145 H HN 0.134 nan 8.280 nan 0.000 0.530 146 T N 0.061 114.564 114.554 -0.084 0.000 2.777 146 T HA -0.130 4.221 4.350 0.001 0.000 0.266 146 T C 2.387 177.105 174.700 0.030 0.000 1.040 146 T CA 1.128 63.199 62.100 -0.048 0.000 1.141 146 T CB -0.456 68.344 68.868 -0.114 0.000 0.868 146 T HN 0.498 nan 8.240 nan 0.000 0.444 147 A N 0.652 123.417 122.820 -0.091 0.000 1.902 147 A HA -0.092 4.229 4.320 0.001 0.000 0.217 147 A C 2.176 180.100 177.584 0.566 0.000 1.181 147 A CA 1.245 53.334 52.037 0.087 0.000 0.623 147 A CB -1.180 17.656 19.000 -0.273 0.000 0.818 147 A HN 0.743 nan 8.150 nan 0.000 0.443 148 W N -0.496 120.960 121.300 0.259 0.000 2.358 148 W HA -0.088 4.572 4.660 0.001 0.000 0.303 148 W C 2.789 179.374 176.519 0.110 0.000 1.208 148 W CA 0.469 57.919 57.345 0.174 0.000 1.274 148 W CB -0.113 29.360 29.460 0.023 0.000 1.138 148 W HN 0.428 nan 8.180 nan 0.000 0.515 149 A N 0.291 123.292 122.820 0.302 0.000 1.902 149 A HA -0.246 4.074 4.320 0.001 0.000 0.217 149 A C 1.762 179.514 177.584 0.280 0.000 1.181 149 A CA 1.384 53.522 52.037 0.169 0.000 0.623 149 A CB -1.221 17.833 19.000 0.090 0.000 0.818 149 A HN 0.328 nan 8.150 nan 0.000 0.443 150 F N 0.761 120.819 119.950 0.180 0.000 2.161 150 F HA -0.114 4.414 4.527 0.001 0.000 0.300 150 F C 1.910 177.828 175.800 0.196 0.000 1.089 150 F CA 0.979 59.097 58.000 0.198 0.000 1.282 150 F CB -0.731 38.437 39.000 0.280 0.000 1.010 150 F HN 0.145 nan 8.300 nan 0.000 0.485 151 L N -0.896 120.509 121.223 0.303 0.000 2.079 151 L HA -0.264 4.076 4.340 0.001 0.000 0.210 151 L C 2.726 179.651 176.870 0.092 0.000 1.081 151 L CA 1.626 56.493 54.840 0.045 0.000 0.752 151 L CB -0.927 41.199 42.059 0.112 0.000 0.896 151 L HN 0.171 nan 8.230 nan 0.000 0.433 152 S N -0.537 115.248 115.700 0.143 0.000 2.383 152 S HA -0.150 4.320 4.470 0.001 0.000 0.227 152 S C 2.080 176.824 174.600 0.241 0.000 1.026 152 S CA 1.176 59.474 58.200 0.165 0.000 0.981 152 S CB 0.008 63.269 63.200 0.102 0.000 0.818 152 S HN 0.460 nan 8.310 nan 0.000 0.472 153 A N 1.433 124.383 122.820 0.217 0.000 1.873 153 A HA 0.076 4.396 4.320 0.001 0.000 0.215 153 A C 2.089 179.783 177.584 0.182 0.000 1.186 153 A CA 1.304 53.469 52.037 0.213 0.000 0.616 153 A CB -0.768 18.395 19.000 0.272 0.000 0.823 153 A HN 0.598 nan 8.150 nan 0.000 0.442 154 I N -1.361 119.247 120.570 0.062 0.000 2.264 154 I HA -0.311 3.859 4.170 0.001 0.000 0.248 154 I C 2.489 178.751 176.117 0.242 0.000 1.111 154 I CA 1.487 62.804 61.300 0.027 0.000 1.382 154 I CB -0.355 37.348 38.000 -0.495 0.000 1.060 154 I HN 0.748 nan 8.210 nan 0.000 0.418 155 W N 1.698 123.016 121.300 0.029 0.000 2.317 155 W HA -0.294 4.367 4.660 0.001 0.000 0.318 155 W C 2.334 178.898 176.519 0.075 0.000 1.227 155 W CA 1.469 58.840 57.345 0.045 0.000 1.269 155 W CB -0.331 29.145 29.460 0.026 0.000 1.155 155 W HN 0.128 nan 8.180 nan 0.000 0.484 156 L N 0.213 121.407 121.223 -0.048 0.000 2.017 156 L HA -0.238 4.102 4.340 0.001 0.000 0.208 156 L C 2.463 179.295 176.870 -0.065 0.000 1.073 156 L CA 2.578 57.315 54.840 -0.172 0.000 0.745 156 L CB -1.208 40.859 42.059 0.014 0.000 0.894 156 L HN 0.256 nan 8.230 nan 0.000 0.432 157 W N 0.375 121.624 121.300 -0.086 0.000 2.358 157 W HA -0.258 4.402 4.660 0.000 0.000 0.303 157 W C 2.356 178.906 176.519 0.053 0.000 1.208 157 W CA 1.251 58.576 57.345 -0.034 0.000 1.274 157 W CB -0.196 29.238 29.460 -0.042 0.000 1.138 157 W HN 0.058 nan 8.180 nan 0.000 0.515 158 M N 0.144 119.594 119.600 -0.250 0.000 2.132 158 M HA -0.159 4.321 4.480 0.001 0.000 0.263 158 M C 1.979 178.163 176.300 -0.194 0.000 1.065 158 M CA 1.388 56.508 55.300 -0.301 0.000 1.122 158 M CB -1.628 30.937 32.600 -0.059 0.000 1.365 158 M HN -0.030 nan 8.290 nan 0.000 0.411 159 V N 0.712 120.414 119.914 -0.352 0.000 2.255 159 V HA -0.280 3.840 4.120 0.001 0.000 0.247 159 V C 2.537 178.519 176.094 -0.187 0.000 1.051 159 V CA 1.584 63.663 62.300 -0.368 0.000 1.018 159 V CB -0.708 30.729 31.823 -0.642 0.000 0.641 159 V HN 0.389 nan 8.190 nan 0.000 0.445 160 L N 0.192 121.305 121.223 -0.184 0.000 2.017 160 L HA -0.092 4.248 4.340 0.001 0.000 0.208 160 L C 2.403 179.189 176.870 -0.140 0.000 1.073 160 L CA 1.958 56.716 54.840 -0.138 0.000 0.745 160 L CB -0.864 41.099 42.059 -0.160 0.000 0.894 160 L HN 0.484 nan 8.230 nan 0.000 0.432 161 G N -2.517 106.152 108.800 -0.219 0.000 2.887 161 G HA2 0.062 4.022 3.960 0.001 0.000 0.211 161 G HA3 0.062 4.022 3.960 0.001 0.000 0.211 161 G C 0.897 175.517 174.900 -0.468 0.000 1.152 161 G CA 0.041 44.932 45.100 -0.348 0.000 0.769 161 G HN 0.234 nan 8.290 nan 0.000 0.541 162 F N -0.765 119.192 119.950 0.012 0.000 2.102 162 F HA 0.364 4.891 4.527 0.001 0.000 0.254 162 F C 2.207 178.063 175.800 0.095 0.000 0.975 162 F CA -0.344 57.763 58.000 0.178 0.000 1.176 162 F CB -0.137 38.905 39.000 0.070 0.000 1.358 162 F HN -0.096 nan 8.300 nan 0.000 0.728 163 I N 0.703 121.391 120.570 0.197 0.000 2.142 163 I HA -0.281 3.890 4.170 0.001 0.000 0.240 163 I C 2.622 178.757 176.117 0.030 0.000 1.078 163 I CA 1.694 63.045 61.300 0.086 0.000 1.343 163 I CB -0.435 37.578 38.000 0.022 0.000 1.046 163 I HN 0.126 nan 8.210 nan 0.000 0.405 164 R N 0.907 121.411 120.500 0.006 0.000 2.066 164 R HA -0.132 4.208 4.340 0.001 0.000 0.232 164 R C -0.330 175.984 176.300 0.024 0.000 1.131 164 R CA 1.645 57.758 56.100 0.021 0.000 0.955 164 R CB -1.177 29.151 30.300 0.047 0.000 0.851 164 R HN 0.180 nan 8.270 nan 0.000 0.432 165 P HA -0.199 nan 4.420 nan 0.000 0.216 165 P C 1.189 178.356 177.300 -0.222 0.000 1.157 165 P CA 1.595 64.669 63.100 -0.042 0.000 0.880 165 P CB -0.057 31.685 31.700 0.071 0.000 0.791 166 I N -1.583 118.845 120.570 -0.235 0.000 2.179 166 I HA -0.230 3.941 4.170 0.001 0.000 0.242 166 I C 2.280 178.300 176.117 -0.163 0.000 1.088 166 I CA 1.368 62.500 61.300 -0.279 0.000 1.357 166 I CB -0.645 37.270 38.000 -0.142 0.000 1.051 166 I HN -0.095 nan 8.210 nan 0.000 0.409 167 L N -0.339 120.835 121.223 -0.081 0.000 2.191 167 L HA -0.198 4.142 4.340 0.001 0.000 0.212 167 L C 2.328 179.162 176.870 -0.061 0.000 1.103 167 L CA 1.290 56.098 54.840 -0.053 0.000 0.769 167 L CB -0.325 41.724 42.059 -0.017 0.000 0.908 167 L HN 0.345 nan 8.230 nan 0.000 0.438 168 M N -0.950 118.610 119.600 -0.067 0.000 2.495 168 M HA 0.127 4.607 4.480 0.001 0.000 0.237 168 M C 1.167 177.405 176.300 -0.103 0.000 1.131 168 M CA 0.558 55.821 55.300 -0.061 0.000 1.032 168 M CB 0.319 32.907 32.600 -0.021 0.000 1.513 168 M HN 0.388 nan 8.290 nan 0.000 0.488 169 G N 1.270 109.973 108.800 -0.162 0.000 2.176 169 G HA2 -0.223 3.738 3.960 0.001 0.000 0.252 169 G HA3 -0.223 3.738 3.960 0.001 0.000 0.252 169 G C -0.002 174.748 174.900 -0.250 0.000 1.024 169 G CA 0.453 45.430 45.100 -0.206 0.000 0.755 169 G HN 0.469 nan 8.290 nan 0.000 0.507 170 S N -2.128 113.395 115.700 -0.295 0.000 2.562 170 S HA 0.461 4.931 4.470 0.001 0.000 0.274 170 S C 0.515 174.971 174.600 -0.240 0.000 1.160 170 S CA -0.095 57.960 58.200 -0.240 0.000 0.933 170 S CB 0.550 63.687 63.200 -0.105 0.000 1.100 170 S HN 0.338 nan 8.310 nan 0.000 0.468 171 W N 2.408 123.675 121.300 -0.055 0.000 2.519 171 W HA -0.050 4.610 4.660 0.001 0.000 0.266 171 W C 2.489 178.850 176.519 -0.263 0.000 1.253 171 W CA 0.748 58.017 57.345 -0.126 0.000 1.274 171 W CB 0.041 29.438 29.460 -0.104 0.000 1.114 171 W HN 0.853 nan 8.180 nan 0.000 0.596 172 S N -0.114 115.595 115.700 0.015 0.000 2.469 172 S HA -0.186 4.284 4.470 0.001 0.000 0.238 172 S C 1.402 176.021 174.600 0.032 0.000 0.998 172 S CA 1.121 59.295 58.200 -0.044 0.000 0.957 172 S CB -0.296 62.904 63.200 -0.001 0.000 0.764 172 S HN 0.224 nan 8.310 nan 0.000 0.514 173 E N 1.677 121.926 120.200 0.082 0.000 2.347 173 E HA 0.271 4.622 4.350 0.001 0.000 0.196 173 E C 1.136 177.936 176.600 0.333 0.000 1.008 173 E CA 0.578 57.103 56.400 0.209 0.000 0.852 173 E CB -0.376 29.417 29.700 0.156 0.000 0.783 173 E HN 0.737 nan 8.360 nan 0.000 0.505 174 A N 0.779 123.680 122.820 0.134 0.000 2.267 174 A HA 0.334 4.654 4.320 0.001 0.000 0.271 174 A C 0.348 177.788 177.584 -0.239 0.000 1.131 174 A CA -0.479 51.575 52.037 0.028 0.000 0.818 174 A CB 0.559 19.624 19.000 0.107 0.000 1.118 174 A HN -0.046 nan 8.150 nan 0.000 0.501 175 V N 1.892 121.500 119.914 -0.509 0.000 2.607 175 V HA 0.352 4.473 4.120 0.001 0.000 0.289 175 V C -1.910 173.949 176.094 -0.392 0.000 1.053 175 V CA -1.242 60.508 62.300 -0.916 0.000 0.996 175 V CB 0.971 32.239 31.823 -0.925 0.000 0.995 175 V HN 0.861 nan 8.190 nan 0.000 0.476 176 P HA 0.219 nan 4.420 nan 0.000 0.276 176 P C -1.501 175.730 177.300 -0.115 0.000 1.244 176 P CA -0.378 62.687 63.100 -0.058 0.000 0.801 176 P CB 0.568 32.304 31.700 0.059 0.000 1.006 177 Y N 0.273 120.760 120.300 0.311 0.000 2.518 177 Y HA 0.597 5.148 4.550 0.001 0.000 0.344 177 Y C 1.223 177.302 175.900 0.298 0.000 0.982 177 Y CA 0.367 58.586 58.100 0.198 0.000 1.234 177 Y CB 0.698 39.210 38.460 0.087 0.000 1.114 177 Y HN 0.568 nan 8.280 nan 0.000 0.515 178 G N 2.157 111.150 108.800 0.323 0.000 2.655 178 G HA2 0.301 4.262 3.960 0.001 0.000 0.296 178 G HA3 0.301 4.262 3.960 0.001 0.000 0.296 178 G C -0.112 174.885 174.900 0.161 0.000 1.485 178 G CA -0.747 44.542 45.100 0.315 0.000 0.869 178 G HN 0.280 nan 8.290 nan 0.000 0.540 179 I N 0.855 121.439 120.570 0.024 0.000 2.110 179 I HA -0.012 4.159 4.170 0.001 0.000 0.236 179 I C 2.468 178.704 176.117 0.198 0.000 1.068 179 I CA 1.369 62.625 61.300 -0.073 0.000 1.333 179 I CB -0.874 36.748 38.000 -0.631 0.000 1.054 179 I HN 0.446 nan 8.210 nan 0.000 0.402 180 F N 1.802 121.721 119.950 -0.052 0.000 2.206 180 F HA -0.123 4.404 4.527 0.001 0.000 0.298 180 F C 3.020 178.836 175.800 0.027 0.000 1.090 180 F CA 1.157 59.118 58.000 -0.065 0.000 1.323 180 F CB -1.592 37.293 39.000 -0.193 0.000 1.028 180 F HN 0.182 nan 8.300 nan 0.000 0.492 181 S N 0.110 115.976 115.700 0.276 0.000 2.382 181 S HA -0.254 4.217 4.470 0.001 0.000 0.228 181 S C 2.098 176.862 174.600 0.275 0.000 1.027 181 S CA 1.543 59.889 58.200 0.243 0.000 0.991 181 S CB -1.273 62.062 63.200 0.224 0.000 0.823 181 S HN 0.643 nan 8.310 nan 0.000 0.469 182 H N 2.076 121.230 119.070 0.140 0.000 2.491 182 H HA 0.148 4.704 4.556 0.001 0.000 0.290 182 H C 1.882 177.325 175.328 0.191 0.000 1.050 182 H CA 1.221 57.338 56.048 0.115 0.000 1.309 182 H CB -0.584 29.199 29.762 0.035 0.000 1.392 182 H HN 0.453 nan 8.280 nan 0.000 0.554 183 L N 0.582 121.760 121.223 -0.074 0.000 2.109 183 L HA -0.096 4.244 4.340 0.001 0.000 0.207 183 L C 2.220 179.110 176.870 0.033 0.000 1.086 183 L CA 1.084 55.856 54.840 -0.114 0.000 0.760 183 L CB -0.271 41.736 42.059 -0.086 0.000 0.910 183 L HN 0.120 nan 8.230 nan 0.000 0.437 184 D N -0.490 119.967 120.400 0.094 0.000 2.117 184 D HA -0.232 4.408 4.640 0.001 0.000 0.197 184 D C 1.753 178.144 176.300 0.151 0.000 0.987 184 D CA 1.123 55.179 54.000 0.094 0.000 0.829 184 D CB -0.250 40.614 40.800 0.108 0.000 0.961 184 D HN 0.391 nan 8.370 nan 0.000 0.460 185 W N 1.756 123.079 121.300 0.039 0.000 2.338 185 W HA -0.228 4.432 4.660 0.000 0.000 0.304 185 W C 2.254 178.817 176.519 0.074 0.000 1.212 185 W CA 2.206 59.591 57.345 0.067 0.000 1.264 185 W CB -0.389 29.117 29.460 0.076 0.000 1.142 185 W HN -0.147 nan 8.180 nan 0.000 0.512 186 T N 0.429 115.211 114.554 0.379 0.000 2.708 186 T HA -0.297 4.053 4.350 0.001 0.000 0.266 186 T C 1.438 176.158 174.700 0.034 0.000 1.037 186 T CA 1.797 64.020 62.100 0.207 0.000 1.146 186 T CB -0.710 68.234 68.868 0.128 0.000 0.865 186 T HN 0.233 nan 8.240 nan 0.000 0.435 187 N N 1.545 120.251 118.700 0.010 0.000 2.084 187 N HA -0.118 4.623 4.740 0.001 0.000 0.190 187 N C 1.692 177.168 175.510 -0.057 0.000 1.030 187 N CA 1.684 54.714 53.050 -0.035 0.000 0.849 187 N CB -0.585 37.882 38.487 -0.033 0.000 1.012 187 N HN 0.318 nan 8.380 nan 0.000 0.423 188 N N -1.003 117.655 118.700 -0.071 0.000 2.223 188 N HA -0.136 4.604 4.740 0.001 0.000 0.185 188 N C 1.498 176.904 175.510 -0.173 0.000 1.016 188 N CA 0.897 53.873 53.050 -0.123 0.000 0.863 188 N CB -0.412 37.997 38.487 -0.130 0.000 0.983 188 N HN 0.309 nan 8.380 nan 0.000 0.429 189 F N 0.129 119.836 119.950 -0.404 0.000 2.186 189 F HA -0.046 4.482 4.527 0.000 0.000 0.299 189 F C 2.621 178.368 175.800 -0.088 0.000 1.090 189 F CA 1.154 58.938 58.000 -0.361 0.000 1.307 189 F CB -0.601 38.011 39.000 -0.647 0.000 1.019 189 F HN 0.027 nan 8.300 nan 0.000 0.489 190 S N 0.023 115.765 115.700 0.070 0.000 2.345 190 S HA -0.136 4.334 4.470 0.001 0.000 0.220 190 S C 2.021 176.599 174.600 -0.037 0.000 1.031 190 S CA 1.255 59.456 58.200 0.002 0.000 0.996 190 S CB -0.538 62.590 63.200 -0.120 0.000 0.882 190 S HN 0.234 nan 8.310 nan 0.000 0.445 191 L N 1.781 122.957 121.223 -0.078 0.000 1.997 191 L HA -0.089 4.251 4.340 0.001 0.000 0.216 191 L C 2.542 179.328 176.870 -0.140 0.000 1.074 191 L CA 1.586 56.373 54.840 -0.089 0.000 0.763 191 L CB -1.457 40.546 42.059 -0.093 0.000 0.890 191 L HN 0.209 nan 8.230 nan 0.000 0.434 192 V N -1.296 118.470 119.914 -0.246 0.000 2.594 192 V HA -0.257 3.864 4.120 0.001 0.000 0.253 192 V C 1.385 177.130 176.094 -0.581 0.000 1.069 192 V CA 1.528 63.573 62.300 -0.424 0.000 1.082 192 V CB -0.890 30.601 31.823 -0.553 0.000 0.680 192 V HN 0.569 nan 8.190 nan 0.000 0.469 193 H N -0.688 118.242 119.070 -0.232 0.000 2.487 193 H HA 0.464 5.020 4.556 0.001 0.000 0.290 193 H C 1.396 176.767 175.328 0.073 0.000 1.081 193 H CA 0.444 56.409 56.048 -0.138 0.000 1.116 193 H CB 0.226 29.883 29.762 -0.176 0.000 1.560 193 H HN 0.378 nan 8.280 nan 0.000 0.548 194 G N 1.959 110.826 108.800 0.111 0.000 2.256 194 G HA2 -0.347 3.613 3.960 0.001 0.000 0.272 194 G HA3 -0.347 3.613 3.960 0.001 0.000 0.272 194 G C -0.461 174.658 174.900 0.365 0.000 1.076 194 G CA 0.126 45.349 45.100 0.204 0.000 0.882 194 G HN 0.659 nan 8.290 nan 0.000 0.497 195 N N -1.675 117.166 118.700 0.235 0.000 2.695 195 N HA -0.160 4.581 4.740 0.001 0.000 0.281 195 N C 1.002 176.593 175.510 0.135 0.000 1.648 195 N CA 0.879 54.022 53.050 0.155 0.000 1.250 195 N CB -0.978 37.659 38.487 0.249 0.000 0.876 195 N HN 0.568 nan 8.380 nan 0.000 0.473 196 L N 2.877 124.024 121.223 -0.126 0.000 2.450 196 L HA -0.113 4.227 4.340 0.001 0.000 0.224 196 L C 1.567 178.267 176.870 -0.283 0.000 1.149 196 L CA 0.631 55.290 54.840 -0.302 0.000 0.816 196 L CB -0.359 41.339 42.059 -0.602 0.000 0.932 196 L HN 0.452 nan 8.230 nan 0.000 0.449 197 F N -0.941 118.890 119.950 -0.199 0.000 2.269 197 F HA -0.193 4.334 4.527 0.001 0.000 0.301 197 F C 1.838 177.537 175.800 -0.169 0.000 1.082 197 F CA 0.783 58.679 58.000 -0.172 0.000 1.360 197 F CB -0.803 38.026 39.000 -0.285 0.000 1.041 197 F HN 0.095 nan 8.300 nan 0.000 0.512 198 Y N -1.161 119.324 120.300 0.309 0.000 2.490 198 Y HA 0.059 4.609 4.550 0.000 0.000 0.281 198 Y C 1.025 177.058 175.900 0.222 0.000 1.174 198 Y CA -0.441 57.853 58.100 0.325 0.000 1.295 198 Y CB -0.788 37.938 38.460 0.444 0.000 1.062 198 Y HN -0.136 nan 8.280 nan 0.000 0.522 199 N N 2.633 121.324 118.700 -0.015 0.000 2.408 199 N HA 0.047 4.788 4.740 0.001 0.000 0.257 199 N C -1.730 173.627 175.510 -0.256 0.000 1.064 199 N CA -2.002 50.673 53.050 -0.625 0.000 0.952 199 N CB 1.358 39.166 38.487 -1.131 0.000 1.093 199 N HN 0.011 nan 8.380 nan 0.000 0.490 200 P HA -0.141 nan 4.420 nan 0.000 0.216 200 P C 1.119 178.291 177.300 -0.213 0.000 1.150 200 P CA 1.323 64.352 63.100 -0.118 0.000 0.837 200 P CB 0.028 31.670 31.700 -0.097 0.000 0.786 201 F N -0.898 118.964 119.950 -0.147 0.000 2.259 201 F HA -0.092 4.436 4.527 0.001 0.000 0.298 201 F C 2.902 178.691 175.800 -0.019 0.000 1.088 201 F CA 1.069 59.038 58.000 -0.051 0.000 1.358 201 F CB -1.212 37.747 39.000 -0.068 0.000 1.040 201 F HN 0.083 nan 8.300 nan 0.000 0.505 202 H N -0.053 119.009 119.070 -0.013 0.000 2.389 202 H HA -0.077 4.480 4.556 0.001 0.000 0.299 202 H C 2.367 177.693 175.328 -0.003 0.000 1.081 202 H CA 1.412 57.451 56.048 -0.015 0.000 1.345 202 H CB -0.370 29.349 29.762 -0.072 0.000 1.393 202 H HN 0.333 nan 8.280 nan 0.000 0.520 203 G N 1.138 109.961 108.800 0.038 0.000 2.418 203 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 203 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 203 G C 2.018 176.842 174.900 -0.127 0.000 1.158 203 G CA 0.659 45.733 45.100 -0.044 0.000 0.771 203 G HN 0.333 nan 8.290 nan 0.000 0.545 204 L N 0.438 121.608 121.223 -0.089 0.000 2.017 204 L HA -0.095 4.245 4.340 0.001 0.000 0.208 204 L C 3.121 179.985 176.870 -0.011 0.000 1.073 204 L CA 1.357 56.137 54.840 -0.099 0.000 0.745 204 L CB -0.518 41.580 42.059 0.064 0.000 0.894 204 L HN 0.335 nan 8.230 nan 0.000 0.432 205 S N 0.160 115.929 115.700 0.115 0.000 2.365 205 S HA -0.209 4.262 4.470 0.001 0.000 0.225 205 S C 1.965 176.538 174.600 -0.045 0.000 1.039 205 S CA 1.480 59.766 58.200 0.143 0.000 1.033 205 S CB -0.288 62.952 63.200 0.065 0.000 0.887 205 S HN 0.294 nan 8.310 nan 0.000 0.447 206 I N 1.437 121.847 120.570 -0.266 0.000 2.226 206 I HA -0.178 3.992 4.170 0.001 0.000 0.245 206 I C 2.782 178.614 176.117 -0.475 0.000 1.100 206 I CA 1.102 62.109 61.300 -0.488 0.000 1.374 206 I CB -0.619 37.032 38.000 -0.582 0.000 1.057 206 I HN 0.374 nan 8.210 nan 0.000 0.413 207 A N 0.835 123.441 122.820 -0.356 0.000 1.940 207 A HA -0.211 4.109 4.320 0.001 0.000 0.219 207 A C 1.986 179.402 177.584 -0.280 0.000 1.176 207 A CA 1.734 53.568 52.037 -0.338 0.000 0.631 207 A CB -0.842 17.843 19.000 -0.525 0.000 0.814 207 A HN 0.366 nan 8.150 nan 0.000 0.446 208 F N -0.899 119.060 119.950 0.015 0.000 2.416 208 F HA 0.060 4.587 4.527 0.000 0.000 0.296 208 F C 2.021 177.866 175.800 0.075 0.000 1.099 208 F CA 0.304 58.346 58.000 0.070 0.000 1.427 208 F CB -0.310 38.743 39.000 0.089 0.000 1.079 208 F HN 0.156 nan 8.300 nan 0.000 0.536 209 L N -0.923 120.397 121.223 0.161 0.000 2.044 209 L HA -0.222 4.118 4.340 0.001 0.000 0.205 209 L C 2.279 179.291 176.870 0.238 0.000 1.075 209 L CA 1.978 56.905 54.840 0.144 0.000 0.747 209 L CB -0.756 41.317 42.059 0.023 0.000 0.903 209 L HN 0.084 nan 8.230 nan 0.000 0.435 210 Y N 0.530 120.875 120.300 0.074 0.000 2.145 210 Y HA -0.083 4.468 4.550 0.000 0.000 0.286 210 Y C 2.712 178.655 175.900 0.071 0.000 1.145 210 Y CA 0.857 58.991 58.100 0.056 0.000 1.148 210 Y CB -1.517 36.954 38.460 0.019 0.000 0.981 210 Y HN 0.196 nan 8.280 nan 0.000 0.507 211 G N -1.338 107.609 108.800 0.245 0.000 2.448 211 G HA2 -0.209 3.751 3.960 0.001 0.000 0.219 211 G HA3 -0.209 3.751 3.960 0.001 0.000 0.219 211 G C 1.948 176.963 174.900 0.192 0.000 1.127 211 G CA 1.197 46.409 45.100 0.187 0.000 0.766 211 G HN 0.376 nan 8.290 nan 0.000 0.552 212 S N 0.647 116.478 115.700 0.217 0.000 2.383 212 S HA 0.075 4.546 4.470 0.001 0.000 0.227 212 S C 2.727 177.452 174.600 0.208 0.000 1.026 212 S CA 1.019 59.336 58.200 0.194 0.000 0.981 212 S CB -0.191 63.125 63.200 0.193 0.000 0.818 212 S HN 0.560 nan 8.310 nan 0.000 0.472 213 A N 1.112 124.055 122.820 0.206 0.000 1.970 213 A HA 0.085 4.406 4.320 0.001 0.000 0.216 213 A C 2.060 179.737 177.584 0.156 0.000 1.170 213 A CA 0.931 53.082 52.037 0.189 0.000 0.645 213 A CB -0.522 18.573 19.000 0.158 0.000 0.816 213 A HN 0.439 nan 8.150 nan 0.000 0.447 214 L N -0.715 120.586 121.223 0.130 0.000 1.976 214 L HA -0.088 4.253 4.340 0.001 0.000 0.209 214 L C 2.198 179.117 176.870 0.081 0.000 1.071 214 L CA 2.160 57.054 54.840 0.090 0.000 0.746 214 L CB -0.594 41.506 42.059 0.068 0.000 0.890 214 L HN 0.275 nan 8.230 nan 0.000 0.432 215 L N -1.424 119.844 121.223 0.075 0.000 2.056 215 L HA -0.142 4.198 4.340 0.001 0.000 0.207 215 L C 2.258 179.221 176.870 0.155 0.000 1.078 215 L CA 1.655 56.511 54.840 0.027 0.000 0.749 215 L CB -0.871 41.187 42.059 -0.001 0.000 0.901 215 L HN 0.321 nan 8.230 nan 0.000 0.433 216 F N 0.085 120.072 119.950 0.062 0.000 2.259 216 F HA 0.015 4.542 4.527 0.001 0.000 0.298 216 F C 2.392 178.234 175.800 0.071 0.000 1.088 216 F CA 0.604 58.657 58.000 0.089 0.000 1.358 216 F CB -0.966 38.090 39.000 0.093 0.000 1.040 216 F HN 0.190 nan 8.300 nan 0.000 0.505 217 A N -0.136 122.824 122.820 0.235 0.000 1.902 217 A HA -0.215 4.105 4.320 0.001 0.000 0.217 217 A C 2.335 180.002 177.584 0.137 0.000 1.181 217 A CA 1.745 53.853 52.037 0.119 0.000 0.623 217 A CB -0.645 18.412 19.000 0.094 0.000 0.818 217 A HN 0.374 nan 8.150 nan 0.000 0.443 218 M N -2.057 117.635 119.600 0.154 0.000 2.059 218 M HA -0.146 4.335 4.480 0.001 0.000 0.259 218 M C 2.342 178.764 176.300 0.203 0.000 1.072 218 M CA 2.110 57.512 55.300 0.169 0.000 1.117 218 M CB -0.532 32.016 32.600 -0.087 0.000 1.320 218 M HN 0.670 nan 8.290 nan 0.000 0.408 219 H N -0.048 119.068 119.070 0.076 0.000 2.321 219 H HA -0.069 4.487 4.556 0.001 0.000 0.300 219 H C 1.926 177.345 175.328 0.151 0.000 1.087 219 H CA 2.154 58.257 56.048 0.091 0.000 1.319 219 H CB -0.722 29.079 29.762 0.066 0.000 1.379 219 H HN 0.356 nan 8.280 nan 0.000 0.501 220 G N -0.095 108.769 108.800 0.106 0.000 2.446 220 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 220 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 220 G C 1.943 176.776 174.900 -0.112 0.000 1.168 220 G CA 1.288 46.340 45.100 -0.080 0.000 0.771 220 G HN 0.627 nan 8.290 nan 0.000 0.551 221 A N 0.055 122.847 122.820 -0.046 0.000 1.933 221 A HA 0.002 4.322 4.320 0.001 0.000 0.218 221 A C 2.533 180.065 177.584 -0.086 0.000 1.175 221 A CA 2.442 54.439 52.037 -0.066 0.000 0.628 221 A CB -0.889 18.098 19.000 -0.022 0.000 0.814 221 A HN 0.310 nan 8.150 nan 0.000 0.444 222 T N 0.417 114.959 114.554 -0.019 0.000 2.708 222 T HA -0.088 4.262 4.350 0.001 0.000 0.266 222 T C 1.770 176.433 174.700 -0.062 0.000 1.037 222 T CA 1.396 63.486 62.100 -0.016 0.000 1.146 222 T CB -0.247 68.747 68.868 0.211 0.000 0.865 222 T HN 0.295 nan 8.240 nan 0.000 0.435 223 I N 1.151 121.652 120.570 -0.115 0.000 2.315 223 I HA -0.025 4.145 4.170 0.001 0.000 0.248 223 I C 2.239 178.294 176.117 -0.104 0.000 1.117 223 I CA 1.144 62.378 61.300 -0.110 0.000 1.404 223 I CB -1.168 36.715 38.000 -0.196 0.000 1.071 223 I HN 0.284 nan 8.210 nan 0.000 0.419 224 L N 0.350 121.492 121.223 -0.136 0.000 2.217 224 L HA -0.093 4.247 4.340 0.001 0.000 0.211 224 L C 2.717 179.498 176.870 -0.148 0.000 1.107 224 L CA 0.912 55.661 54.840 -0.151 0.000 0.783 224 L CB -0.666 41.286 42.059 -0.179 0.000 0.919 224 L HN 0.151 nan 8.230 nan 0.000 0.442 225 A N 0.356 123.092 122.820 -0.141 0.000 1.930 225 A HA -0.115 4.206 4.320 0.001 0.000 0.217 225 A C 1.861 179.394 177.584 -0.084 0.000 1.175 225 A CA 1.704 53.652 52.037 -0.148 0.000 0.627 225 A CB -0.527 18.342 19.000 -0.217 0.000 0.815 225 A HN 0.317 nan 8.150 nan 0.000 0.443 226 V N -1.449 118.455 119.914 -0.017 0.000 3.249 226 V HA 0.163 4.283 4.120 0.001 0.000 0.338 226 V C 1.378 177.485 176.094 0.022 0.000 1.363 226 V CA 0.766 63.141 62.300 0.125 0.000 1.205 226 V CB -0.833 31.140 31.823 0.251 0.000 1.164 226 V HN 0.515 nan 8.190 nan 0.000 0.458 227 S N 2.013 117.658 115.700 -0.091 0.000 2.453 227 S HA -0.188 4.283 4.470 0.001 0.000 0.231 227 S C 1.935 176.440 174.600 -0.158 0.000 1.005 227 S CA 0.972 59.119 58.200 -0.089 0.000 0.949 227 S CB -0.637 62.504 63.200 -0.099 0.000 0.774 227 S HN 0.843 nan 8.310 nan 0.000 0.510 228 R N 0.637 120.934 120.500 -0.338 0.000 2.303 228 R HA -0.023 4.318 4.340 0.001 0.000 0.225 228 R C 0.100 176.024 176.300 -0.627 0.000 1.114 228 R CA 1.119 56.910 56.100 -0.516 0.000 1.007 228 R CB -0.774 29.098 30.300 -0.713 0.000 0.861 228 R HN 0.559 nan 8.270 nan 0.000 0.471 229 F N 0.255 120.201 119.950 -0.006 0.000 2.805 229 F HA 0.458 4.986 4.527 0.001 0.000 0.317 229 F C 0.979 176.778 175.800 -0.001 0.000 1.146 229 F CA -0.636 57.363 58.000 -0.002 0.000 1.265 229 F CB 0.912 39.909 39.000 -0.005 0.000 0.992 229 F HN 0.138 nan 8.300 nan 0.000 0.511 230 G N 0.825 109.673 108.800 0.080 0.000 2.295 230 G HA2 -0.269 3.691 3.960 0.001 0.000 0.287 230 G HA3 -0.269 3.691 3.960 0.001 0.000 0.287 230 G C 1.347 176.291 174.900 0.073 0.000 1.055 230 G CA 0.283 45.418 45.100 0.059 0.000 0.922 230 G HN 0.740 nan 8.290 nan 0.000 0.503 231 G N 0.890 109.740 108.800 0.082 0.000 2.442 231 G HA2 -0.157 3.803 3.960 0.001 0.000 0.219 231 G HA3 -0.157 3.803 3.960 0.001 0.000 0.219 231 G C 1.534 176.467 174.900 0.055 0.000 1.141 231 G CA 1.424 46.574 45.100 0.083 0.000 0.763 231 G HN 0.882 nan 8.290 nan 0.000 0.554 232 E N 1.059 121.272 120.200 0.022 0.000 2.331 232 E HA -0.156 4.194 4.350 0.001 0.000 0.199 232 E C 1.030 177.647 176.600 0.029 0.000 1.008 232 E CA 0.380 56.790 56.400 0.016 0.000 0.843 232 E CB -0.303 29.388 29.700 -0.016 0.000 0.761 232 E HN 0.339 nan 8.360 nan 0.000 0.507 233 R N 1.545 122.063 120.500 0.030 0.000 4.164 233 R HA 0.122 4.462 4.340 0.001 0.000 0.195 233 R C 0.897 177.217 176.300 0.033 0.000 1.712 233 R CA -0.031 56.082 56.100 0.023 0.000 1.457 233 R CB 0.084 30.397 30.300 0.021 0.000 1.387 233 R HN 0.280 nan 8.270 nan 0.000 0.785 234 E N 0.772 120.995 120.200 0.038 0.000 2.106 234 E HA -0.187 4.163 4.350 0.001 0.000 0.192 234 E C 1.392 178.004 176.600 0.020 0.000 0.984 234 E CA 0.997 57.433 56.400 0.060 0.000 0.806 234 E CB 0.073 29.828 29.700 0.091 0.000 0.750 234 E HN 0.473 nan 8.360 nan 0.000 0.458 235 L N 0.773 121.985 121.223 -0.019 0.000 2.046 235 L HA -0.201 4.139 4.340 0.001 0.000 0.208 235 L C 2.546 179.412 176.870 -0.006 0.000 1.077 235 L CA 1.107 55.930 54.840 -0.029 0.000 0.747 235 L CB -0.201 41.831 42.059 -0.045 0.000 0.896 235 L HN 0.081 nan 8.230 nan 0.000 0.432 236 E N -0.401 119.801 120.200 0.003 0.000 2.208 236 E HA -0.175 4.176 4.350 0.001 0.000 0.193 236 E C 2.215 178.827 176.600 0.020 0.000 0.988 236 E CA 0.824 57.230 56.400 0.010 0.000 0.828 236 E CB 0.081 29.787 29.700 0.011 0.000 0.763 236 E HN 0.303 nan 8.360 nan 0.000 0.478 237 Q N -0.227 119.592 119.800 0.032 0.000 2.224 237 Q HA -0.074 4.266 4.340 0.001 0.000 0.203 237 Q C 2.241 178.266 176.000 0.042 0.000 0.970 237 Q CA 0.868 56.696 55.803 0.042 0.000 0.865 237 Q CB 0.014 28.789 28.738 0.061 0.000 0.922 237 Q HN 0.441 nan 8.270 nan 0.000 0.445 238 I N 0.382 120.975 120.570 0.039 0.000 2.202 238 I HA -0.226 3.944 4.170 0.001 0.000 0.242 238 I C 2.338 178.470 176.117 0.025 0.000 1.091 238 I CA 1.043 62.365 61.300 0.036 0.000 1.368 238 I CB -0.366 37.649 38.000 0.024 0.000 1.058 238 I HN 0.045 nan 8.210 nan 0.000 0.410 239 A N -0.654 122.176 122.820 0.016 0.000 1.969 239 A HA -0.190 4.131 4.320 0.001 0.000 0.218 239 A C 0.799 178.392 177.584 0.015 0.000 1.169 239 A CA 1.704 53.748 52.037 0.012 0.000 0.635 239 A CB -0.187 18.816 19.000 0.006 0.000 0.810 239 A HN 0.454 nan 8.150 nan 0.000 0.445 240 D N -1.587 118.823 120.400 0.017 0.000 2.337 240 D HA 0.158 4.799 4.640 0.001 0.000 0.238 240 D C -0.444 175.867 176.300 0.018 0.000 1.331 240 D CA -0.421 53.588 54.000 0.016 0.000 0.967 240 D CB 0.214 41.022 40.800 0.013 0.000 1.382 240 D HN 0.221 nan 8.370 nan 0.000 0.549 241 R N 1.975 122.487 120.500 0.019 0.000 2.504 241 R HA 0.387 4.728 4.340 0.001 0.000 0.291 241 R C 0.304 176.608 176.300 0.007 0.000 0.974 241 R CA 0.496 56.607 56.100 0.017 0.000 1.077 241 R CB 0.259 30.569 30.300 0.017 0.000 0.926 241 R HN 0.443 nan 8.270 nan 0.000 0.407 242 G N 0.846 109.649 108.800 0.005 0.000 2.705 242 G HA2 0.065 4.026 3.960 0.001 0.000 0.299 242 G HA3 0.065 4.026 3.960 0.001 0.000 0.299 242 G C 0.493 175.359 174.900 -0.057 0.000 1.315 242 G CA -0.387 44.706 45.100 -0.011 0.000 1.045 242 G HN 0.577 nan 8.290 nan 0.000 0.517 243 T N -0.471 114.013 114.554 -0.117 0.000 2.962 243 T HA -0.009 4.342 4.350 0.001 0.000 0.270 243 T C 2.528 177.030 174.700 -0.330 0.000 1.088 243 T CA 2.138 64.084 62.100 -0.256 0.000 1.127 243 T CB -0.491 68.159 68.868 -0.362 0.000 0.883 243 T HN 0.621 nan 8.240 nan 0.000 0.493 244 A N 1.115 123.838 122.820 -0.162 0.000 1.858 244 A HA 0.176 4.496 4.320 0.001 0.000 0.216 244 A C 2.713 180.298 177.584 0.001 0.000 1.190 244 A CA 1.979 54.023 52.037 0.011 0.000 0.617 244 A CB -1.343 17.760 19.000 0.171 0.000 0.827 244 A HN 0.614 nan 8.150 nan 0.000 0.443 245 A N -0.444 122.381 122.820 0.009 0.000 1.933 245 A HA -0.152 4.169 4.320 0.001 0.000 0.218 245 A C 1.925 179.503 177.584 -0.010 0.000 1.175 245 A CA 1.616 53.669 52.037 0.026 0.000 0.628 245 A CB -0.490 18.533 19.000 0.038 0.000 0.814 245 A HN 0.658 nan 8.150 nan 0.000 0.444 246 E N -0.509 119.654 120.200 -0.061 0.000 2.072 246 E HA -0.152 4.198 4.350 0.001 0.000 0.191 246 E C 2.323 178.842 176.600 -0.135 0.000 0.985 246 E CA 0.959 57.307 56.400 -0.088 0.000 0.801 246 E CB -0.152 29.485 29.700 -0.106 0.000 0.750 246 E HN 0.545 nan 8.360 nan 0.000 0.452 247 R N 0.471 120.869 120.500 -0.170 0.000 2.090 247 R HA -0.016 4.325 4.340 0.001 0.000 0.228 247 R C 2.372 178.612 176.300 -0.100 0.000 1.110 247 R CA 0.888 56.877 56.100 -0.185 0.000 0.973 247 R CB -0.218 29.959 30.300 -0.205 0.000 0.869 247 R HN 0.077 nan 8.270 nan 0.000 0.440 248 A N 1.552 124.360 122.820 -0.020 0.000 1.877 248 A HA -0.141 4.180 4.320 0.001 0.000 0.216 248 A C 2.396 180.065 177.584 0.143 0.000 1.186 248 A CA 1.781 53.862 52.037 0.073 0.000 0.620 248 A CB -0.689 18.380 19.000 0.114 0.000 0.822 248 A HN 0.382 nan 8.150 nan 0.000 0.443 249 A N -0.243 122.618 122.820 0.067 0.000 1.858 249 A HA -0.053 4.267 4.320 0.001 0.000 0.216 249 A C 2.143 179.704 177.584 -0.038 0.000 1.190 249 A CA 1.548 53.620 52.037 0.060 0.000 0.617 249 A CB -0.687 18.325 19.000 0.020 0.000 0.827 249 A HN 0.471 nan 8.150 nan 0.000 0.443 250 L N -1.941 119.147 121.223 -0.224 0.000 2.275 250 L HA -0.123 4.217 4.340 0.001 0.000 0.215 250 L C 2.422 178.859 176.870 -0.721 0.000 1.119 250 L CA 1.093 55.579 54.840 -0.589 0.000 0.790 250 L CB -0.507 41.020 42.059 -0.887 0.000 0.919 250 L HN 0.527 nan 8.230 nan 0.000 0.443 251 F N -0.008 119.617 119.950 -0.542 0.000 2.102 251 F HA -0.229 4.298 4.527 0.001 0.000 0.298 251 F C 2.040 177.557 175.800 -0.472 0.000 1.105 251 F CA 1.633 59.313 58.000 -0.534 0.000 1.239 251 F CB -0.297 38.349 39.000 -0.589 0.000 0.991 251 F HN -0.037 nan 8.300 nan 0.000 0.474 252 W N 0.464 121.772 121.300 0.014 0.000 2.409 252 W HA -0.041 4.619 4.660 0.000 0.000 0.299 252 W C 2.772 179.210 176.519 -0.135 0.000 1.203 252 W CA 1.152 58.454 57.345 -0.071 0.000 1.298 252 W CB -0.483 28.918 29.460 -0.099 0.000 1.127 252 W HN -0.111 nan 8.180 nan 0.000 0.528 253 R N -0.204 120.341 120.500 0.075 0.000 2.083 253 R HA -0.208 4.132 4.340 0.001 0.000 0.237 253 R C 1.883 178.319 176.300 0.227 0.000 1.137 253 R CA 2.211 58.386 56.100 0.126 0.000 0.951 253 R CB -0.766 29.600 30.300 0.110 0.000 0.851 253 R HN 0.116 nan 8.270 nan 0.000 0.434 254 W N 0.362 121.608 121.300 -0.091 0.000 2.436 254 W HA 0.042 4.702 4.660 0.000 0.000 0.284 254 W C 2.182 178.587 176.519 -0.190 0.000 1.225 254 W CA 1.012 58.273 57.345 -0.140 0.000 1.271 254 W CB -1.035 28.308 29.460 -0.194 0.000 1.114 254 W HN 0.123 nan 8.180 nan 0.000 0.559 255 T N 0.658 115.158 114.554 -0.090 0.000 2.770 255 T HA -0.103 4.247 4.350 0.001 0.000 0.263 255 T C 1.581 176.307 174.700 0.044 0.000 1.039 255 T CA 1.818 63.832 62.100 -0.143 0.000 1.142 255 T CB -0.219 68.411 68.868 -0.396 0.000 0.868 255 T HN 0.219 nan 8.240 nan 0.000 0.435 256 M N -1.231 118.452 119.600 0.138 0.000 2.511 256 M HA 0.615 5.095 4.480 0.001 0.000 0.387 256 M C 1.249 177.728 176.300 0.298 0.000 1.112 256 M CA 0.080 55.508 55.300 0.214 0.000 0.921 256 M CB 0.973 33.730 32.600 0.261 0.000 1.501 256 M HN 0.240 nan 8.290 nan 0.000 0.538 257 G N 2.172 111.120 108.800 0.247 0.000 2.320 257 G HA2 -0.303 3.658 3.960 0.001 0.000 0.242 257 G HA3 -0.303 3.658 3.960 0.001 0.000 0.242 257 G C -0.142 174.977 174.900 0.365 0.000 1.033 257 G CA 0.651 45.913 45.100 0.271 0.000 0.620 257 G HN 0.801 nan 8.290 nan 0.000 0.517 258 F N 1.225 121.235 119.950 0.100 0.000 2.650 258 F HA 0.834 5.362 4.527 0.002 0.000 0.320 258 F C -0.585 175.276 175.800 0.102 0.000 1.091 258 F CA -1.745 56.310 58.000 0.092 0.000 0.962 258 F CB 0.975 40.016 39.000 0.069 0.000 1.363 258 F HN 0.461 nan 8.300 nan 0.000 0.482 259 N N 0.706 119.380 118.700 -0.045 0.000 2.934 259 N HA 0.724 5.464 4.740 0.001 0.000 0.253 259 N C -1.802 173.701 175.510 -0.011 0.000 1.466 259 N CA -0.719 52.255 53.050 -0.126 0.000 0.858 259 N CB 1.888 40.393 38.487 0.031 0.000 1.459 259 N HN 1.062 nan 8.380 nan 0.000 0.532 260 A N -0.088 122.721 122.820 -0.019 0.000 2.468 260 A HA 0.832 5.153 4.320 0.001 0.000 0.277 260 A C -0.028 177.613 177.584 0.094 0.000 1.203 260 A CA -0.270 51.821 52.037 0.090 0.000 0.932 260 A CB 0.545 19.572 19.000 0.045 0.000 1.438 260 A HN 0.836 nan 8.150 nan 0.000 0.468 261 T N -3.127 111.494 114.554 0.111 0.000 2.940 261 T HA 0.443 4.794 4.350 0.001 0.000 0.288 261 T C 0.814 175.573 174.700 0.098 0.000 1.045 261 T CA -0.255 61.901 62.100 0.095 0.000 1.018 261 T CB 1.018 69.941 68.868 0.092 0.000 1.151 261 T HN 0.443 nan 8.240 nan 0.000 0.529 262 M N 0.386 120.052 119.600 0.109 0.000 2.159 262 M HA 0.003 4.484 4.480 0.001 0.000 0.263 262 M C 2.065 178.500 176.300 0.224 0.000 1.063 262 M CA 1.668 57.062 55.300 0.157 0.000 1.110 262 M CB -0.892 31.789 32.600 0.135 0.000 1.374 262 M HN 0.888 nan 8.290 nan 0.000 0.411 263 E N -1.371 118.928 120.200 0.164 0.000 2.051 263 E HA -0.067 4.284 4.350 0.001 0.000 0.189 263 E C 1.959 178.657 176.600 0.164 0.000 0.979 263 E CA 0.974 57.478 56.400 0.172 0.000 0.803 263 E CB -0.482 29.269 29.700 0.085 0.000 0.761 263 E HN 0.589 nan 8.360 nan 0.000 0.451 264 G N 1.557 110.426 108.800 0.115 0.000 2.450 264 G HA2 -0.274 3.686 3.960 0.001 0.000 0.220 264 G HA3 -0.274 3.686 3.960 0.001 0.000 0.220 264 G C 1.522 176.507 174.900 0.141 0.000 1.130 264 G CA 0.799 45.962 45.100 0.105 0.000 0.760 264 G HN 0.329 nan 8.290 nan 0.000 0.557 265 I N 0.460 121.067 120.570 0.062 0.000 2.454 265 I HA -0.078 4.093 4.170 0.001 0.000 0.254 265 I C 2.243 178.178 176.117 -0.302 0.000 1.156 265 I CA 1.013 62.258 61.300 -0.091 0.000 1.433 265 I CB -0.307 37.475 38.000 -0.364 0.000 1.082 265 I HN 0.299 nan 8.210 nan 0.000 0.432 266 H N -0.592 118.432 119.070 -0.077 0.000 2.502 266 H HA 0.114 4.671 4.556 0.001 0.000 0.283 266 H C 2.222 177.527 175.328 -0.039 0.000 1.015 266 H CA 0.831 56.813 56.048 -0.110 0.000 1.298 266 H CB -0.016 29.683 29.762 -0.104 0.000 1.411 266 H HN 0.249 nan 8.280 nan 0.000 0.556 267 R N -0.376 120.178 120.500 0.090 0.000 2.073 267 R HA -0.121 4.219 4.340 0.001 0.000 0.229 267 R C 1.518 177.909 176.300 0.152 0.000 1.120 267 R CA 1.276 57.441 56.100 0.110 0.000 0.967 267 R CB -0.302 30.026 30.300 0.046 0.000 0.862 267 R HN 0.381 nan 8.270 nan 0.000 0.436 268 W N 1.141 122.481 121.300 0.066 0.000 2.335 268 W HA -0.186 4.474 4.660 0.000 0.000 0.311 268 W C 2.602 179.137 176.519 0.028 0.000 1.213 268 W CA 1.333 58.709 57.345 0.053 0.000 1.274 268 W CB -0.356 29.077 29.460 -0.045 0.000 1.148 268 W HN 0.186 nan 8.180 nan 0.000 0.498 269 A N 0.246 123.149 122.820 0.137 0.000 1.851 269 A HA -0.242 4.079 4.320 0.001 0.000 0.216 269 A C 1.927 179.508 177.584 -0.005 0.000 1.195 269 A CA 1.882 53.905 52.037 -0.024 0.000 0.622 269 A CB -1.169 17.709 19.000 -0.204 0.000 0.831 269 A HN 0.348 nan 8.150 nan 0.000 0.444 270 I N -2.062 118.493 120.570 -0.025 0.000 2.208 270 I HA -0.283 3.887 4.170 0.001 0.000 0.245 270 I C 2.334 178.361 176.117 -0.149 0.000 1.097 270 I CA 1.632 62.864 61.300 -0.113 0.000 1.363 270 I CB -0.128 37.772 38.000 -0.166 0.000 1.051 270 I HN 0.620 nan 8.210 nan 0.000 0.413 271 W N -0.038 121.258 121.300 -0.006 0.000 2.388 271 W HA -0.191 4.470 4.660 0.002 0.000 0.294 271 W C 2.460 178.943 176.519 -0.060 0.000 1.212 271 W CA 0.927 58.245 57.345 -0.045 0.000 1.271 271 W CB -0.256 29.161 29.460 -0.072 0.000 1.126 271 W HN 0.161 nan 8.180 nan 0.000 0.535 272 M N 0.650 120.399 119.600 0.249 0.000 2.117 272 M HA -0.121 4.360 4.480 0.001 0.000 0.262 272 M C 2.112 178.497 176.300 0.143 0.000 1.065 272 M CA 2.393 57.832 55.300 0.231 0.000 1.114 272 M CB -0.509 32.246 32.600 0.260 0.000 1.361 272 M HN -0.044 nan 8.290 nan 0.000 0.408 273 A N -1.128 121.743 122.820 0.085 0.000 1.854 273 A HA -0.045 4.276 4.320 0.001 0.000 0.214 273 A C 2.136 179.743 177.584 0.039 0.000 1.192 273 A CA 1.579 53.657 52.037 0.069 0.000 0.611 273 A CB -1.232 17.787 19.000 0.033 0.000 0.832 273 A HN 0.330 nan 8.150 nan 0.000 0.442 274 V N 0.363 120.267 119.914 -0.016 0.000 2.380 274 V HA -0.272 3.849 4.120 0.001 0.000 0.251 274 V C 2.482 178.566 176.094 -0.016 0.000 1.063 274 V CA 2.052 64.330 62.300 -0.036 0.000 1.055 274 V CB -0.652 31.056 31.823 -0.192 0.000 0.657 274 V HN 0.569 nan 8.190 nan 0.000 0.455 275 L N -0.768 120.392 121.223 -0.104 0.000 2.456 275 L HA -0.110 4.231 4.340 0.001 0.000 0.224 275 L C 2.235 179.035 176.870 -0.117 0.000 1.148 275 L CA 0.431 55.100 54.840 -0.285 0.000 0.825 275 L CB -0.454 41.005 42.059 -1.000 0.000 0.937 275 L HN 0.227 nan 8.230 nan 0.000 0.450 276 V N -0.178 119.769 119.914 0.055 0.000 2.237 276 V HA -0.298 3.823 4.120 0.001 0.000 0.245 276 V C 2.630 178.829 176.094 0.175 0.000 1.046 276 V CA 2.567 64.978 62.300 0.185 0.000 1.007 276 V CB -0.997 30.926 31.823 0.167 0.000 0.638 276 V HN 0.661 nan 8.190 nan 0.000 0.445 277 T N -1.961 112.691 114.554 0.165 0.000 3.014 277 T HA -0.004 4.347 4.350 0.001 0.000 0.263 277 T C 1.895 176.782 174.700 0.312 0.000 1.078 277 T CA 1.017 63.237 62.100 0.200 0.000 1.135 277 T CB -0.233 68.751 68.868 0.194 0.000 0.895 277 T HN 0.305 nan 8.240 nan 0.000 0.480 278 L N 2.016 123.408 121.223 0.283 0.000 1.994 278 L HA -0.114 4.226 4.340 0.001 0.000 0.208 278 L C 3.008 180.084 176.870 0.345 0.000 1.071 278 L CA 2.144 57.170 54.840 0.311 0.000 0.745 278 L CB -0.735 41.398 42.059 0.123 0.000 0.892 278 L HN 0.513 nan 8.230 nan 0.000 0.431 279 T N -3.593 111.142 114.554 0.301 0.000 2.777 279 T HA -0.070 4.280 4.350 0.001 0.000 0.266 279 T C 1.907 176.811 174.700 0.341 0.000 1.040 279 T CA 0.751 63.106 62.100 0.425 0.000 1.141 279 T CB -1.285 67.890 68.868 0.512 0.000 0.868 279 T HN 0.437 nan 8.240 nan 0.000 0.444 280 G N 1.549 110.503 108.800 0.257 0.000 2.476 280 G HA2 -0.027 3.933 3.960 0.001 0.000 0.218 280 G HA3 -0.027 3.933 3.960 0.001 0.000 0.218 280 G C 1.728 176.664 174.900 0.060 0.000 1.164 280 G CA 0.807 45.999 45.100 0.155 0.000 0.768 280 G HN 0.670 nan 8.290 nan 0.000 0.560 281 G N 0.870 109.702 108.800 0.053 0.000 2.418 281 G HA2 -0.135 3.826 3.960 0.001 0.000 0.217 281 G HA3 -0.135 3.826 3.960 0.001 0.000 0.217 281 G C 1.787 176.608 174.900 -0.131 0.000 1.158 281 G CA 0.826 45.761 45.100 -0.275 0.000 0.771 281 G HN 0.462 nan 8.290 nan 0.000 0.545 282 I N 1.258 121.893 120.570 0.108 0.000 2.226 282 I HA -0.069 4.102 4.170 0.001 0.000 0.245 282 I C 3.097 179.021 176.117 -0.322 0.000 1.100 282 I CA 0.954 62.176 61.300 -0.130 0.000 1.374 282 I CB -0.539 37.170 38.000 -0.485 0.000 1.057 282 I HN 0.231 nan 8.210 nan 0.000 0.413 283 G N 1.588 110.225 108.800 -0.272 0.000 2.440 283 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 283 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 283 G C 1.581 176.466 174.900 -0.025 0.000 1.154 283 G CA 0.609 45.629 45.100 -0.134 0.000 0.767 283 G HN 0.186 nan 8.290 nan 0.000 0.552 284 I N 0.303 120.853 120.570 -0.034 0.000 2.286 284 I HA -0.008 4.162 4.170 0.001 0.000 0.245 284 I C 2.607 178.750 176.117 0.043 0.000 1.104 284 I CA 0.507 61.812 61.300 0.008 0.000 1.397 284 I CB -1.094 36.824 38.000 -0.137 0.000 1.072 284 I HN 0.120 nan 8.210 nan 0.000 0.417 285 L N 0.829 122.023 121.223 -0.049 0.000 2.083 285 L HA -0.135 4.205 4.340 0.001 0.000 0.209 285 L C 2.301 179.190 176.870 0.031 0.000 1.083 285 L CA 1.744 56.566 54.840 -0.029 0.000 0.752 285 L CB -0.586 41.438 42.059 -0.059 0.000 0.899 285 L HN 0.127 nan 8.230 nan 0.000 0.433 286 L N -1.274 119.981 121.223 0.054 0.000 2.291 286 L HA -0.035 4.305 4.340 0.001 0.000 0.214 286 L C 0.888 177.835 176.870 0.129 0.000 1.120 286 L CA 0.022 54.920 54.840 0.097 0.000 0.799 286 L CB -0.459 41.699 42.059 0.165 0.000 0.925 286 L HN 0.062 nan 8.230 nan 0.000 0.446 287 S N 0.191 116.013 115.700 0.203 0.000 2.455 287 S HA 0.391 4.861 4.470 0.001 0.000 0.278 287 S C 1.071 175.606 174.600 -0.108 0.000 1.216 287 S CA 0.412 58.645 58.200 0.054 0.000 1.055 287 S CB 0.974 64.182 63.200 0.013 0.000 0.939 287 S HN 0.560 nan 8.310 nan 0.000 0.494 288 G N 3.261 112.048 108.800 -0.022 0.000 2.358 288 G HA2 -0.368 3.592 3.960 0.001 0.000 0.224 288 G HA3 -0.368 3.592 3.960 0.001 0.000 0.224 288 G C 1.168 176.071 174.900 0.005 0.000 1.073 288 G CA 0.775 45.928 45.100 0.089 0.000 0.635 288 G HN 0.811 nan 8.290 nan 0.000 0.509 289 T N -1.417 113.134 114.554 -0.004 0.000 2.852 289 T HA 0.299 4.650 4.350 0.001 0.000 0.256 289 T C 2.186 176.865 174.700 -0.036 0.000 1.038 289 T CA 2.438 64.530 62.100 -0.014 0.000 1.141 289 T CB -0.133 68.736 68.868 0.001 0.000 0.869 289 T HN 0.682 nan 8.240 nan 0.000 0.439 290 V N 0.284 120.163 119.914 -0.058 0.000 2.908 290 V HA 0.342 4.462 4.120 0.001 0.000 0.240 290 V C 0.591 176.581 176.094 -0.172 0.000 1.117 290 V CA 0.048 62.299 62.300 -0.082 0.000 1.133 290 V CB 0.730 32.520 31.823 -0.055 0.000 0.857 290 V HN 0.344 nan 8.190 nan 0.000 0.478 291 V N 1.519 121.240 119.914 -0.321 0.000 2.407 291 V HA 0.383 4.504 4.120 0.001 0.000 0.291 291 V C 0.149 175.977 176.094 -0.443 0.000 1.018 291 V CA -0.462 61.500 62.300 -0.562 0.000 0.842 291 V CB 1.536 32.520 31.823 -1.398 0.000 0.996 291 V HN 0.352 nan 8.190 nan 0.000 0.426 292 D N 2.372 122.608 120.400 -0.274 0.000 2.289 292 D HA 0.026 4.667 4.640 0.001 0.000 0.207 292 D C 0.595 176.790 176.300 -0.176 0.000 0.966 292 D CA 0.856 54.759 54.000 -0.162 0.000 0.868 292 D CB 0.431 41.148 40.800 -0.140 0.000 0.943 292 D HN 0.493 nan 8.370 nan 0.000 0.514 293 N N -0.650 117.905 118.700 -0.241 0.000 2.519 293 N HA 0.012 4.752 4.740 0.001 0.000 0.291 293 N C -0.444 175.017 175.510 -0.081 0.000 1.107 293 N CA -0.457 52.539 53.050 -0.090 0.000 0.904 293 N CB 0.659 39.144 38.487 -0.004 0.000 1.500 293 N HN -0.130 nan 8.380 nan 0.000 0.510 294 W N 1.961 123.377 121.300 0.193 0.000 2.476 294 W HA -0.019 4.642 4.660 0.000 0.000 0.281 294 W C 1.764 178.471 176.519 0.313 0.000 1.230 294 W CA 0.250 57.753 57.345 0.263 0.000 1.287 294 W CB -0.182 29.421 29.460 0.239 0.000 1.108 294 W HN 0.682 nan 8.180 nan 0.000 0.567 295 Y N 0.775 121.218 120.300 0.238 0.000 2.128 295 Y HA -0.298 4.252 4.550 0.001 0.000 0.284 295 Y C 2.216 178.078 175.900 -0.064 0.000 1.154 295 Y CA 2.100 60.065 58.100 -0.225 0.000 1.149 295 Y CB -0.918 37.341 38.460 -0.335 0.000 0.976 295 Y HN -0.223 nan 8.280 nan 0.000 0.505 296 V N -0.372 119.524 119.914 -0.030 0.000 2.255 296 V HA -0.338 3.783 4.120 0.001 0.000 0.247 296 V C 2.140 178.193 176.094 -0.069 0.000 1.051 296 V CA 2.182 64.418 62.300 -0.107 0.000 1.018 296 V CB -1.205 30.628 31.823 0.018 0.000 0.641 296 V HN 0.747 nan 8.190 nan 0.000 0.445 297 W N 1.286 122.515 121.300 -0.119 0.000 2.305 297 W HA -0.209 4.451 4.660 0.001 0.000 0.308 297 W C 2.307 178.829 176.519 0.006 0.000 1.226 297 W CA 2.208 59.512 57.345 -0.069 0.000 1.253 297 W CB -0.795 28.608 29.460 -0.094 0.000 1.146 297 W HN 0.273 nan 8.180 nan 0.000 0.507 298 G N -0.303 108.633 108.800 0.226 0.000 2.442 298 G HA2 -0.314 3.647 3.960 0.001 0.000 0.219 298 G HA3 -0.314 3.647 3.960 0.001 0.000 0.219 298 G C 1.388 176.188 174.900 -0.167 0.000 1.141 298 G CA 1.113 46.269 45.100 0.094 0.000 0.763 298 G HN 0.328 nan 8.290 nan 0.000 0.554 299 Q N 0.641 120.268 119.800 -0.289 0.000 2.291 299 Q HA -0.055 4.285 4.340 0.001 0.000 0.205 299 Q C 0.404 176.271 176.000 -0.221 0.000 0.970 299 Q CA 1.031 56.667 55.803 -0.277 0.000 0.876 299 Q CB -0.144 28.394 28.738 -0.334 0.000 0.935 299 Q HN 0.847 nan 8.270 nan 0.000 0.455 300 N N -0.003 118.541 118.700 -0.260 0.000 2.696 300 N HA 0.154 4.894 4.740 0.001 0.000 0.308 300 N C -0.645 174.673 175.510 -0.320 0.000 1.915 300 N CA -0.309 52.598 53.050 -0.239 0.000 0.906 300 N CB 0.420 38.789 38.487 -0.197 0.000 1.284 300 N HN -0.006 nan 8.380 nan 0.000 0.488 301 H N 0.000 118.807 119.070 -0.438 0.000 2.539 301 H HA 0.000 4.556 4.556 0.001 0.000 0.296 301 H CA 0.000 55.746 56.048 -0.503 0.000 1.023 301 H CB 0.000 29.282 29.762 -0.800 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496