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 2eaa_1_C DATA FIRST_RESID 13 DATA SEQUENCE SDSRGENNPF YFSSDRRFHT LFTNQYGHLR ILHRFDQRSK QIQNLENYRV DATA SEQUENCE VEFKSKPNTL LLPHHADADF LLVVLNGRAI LTLVNPDSRD SYILEQGHAQ DATA SEQUENCE KIPAGTTFFL VNPDDNENLR IIKLAIPVNN PHRFQDFFLS STEAQQSYLR DATA SEQUENCE GFSKNILEAS FDSDFKEINR VLFGEEXXXX XXXESREEGV IVELKREQIQ DATA SEQUENCE ELMKHAKSSS XXXXSSQDEP FNLRNSKPIY SNKFGRWYEM TPEKNPQLKD DATA SEQUENCE LDVFISSVDM KEGALLLPHY NSKAIVIMVI NEGEAKIELV GLSDXXXXXX DATA SEQUENCE XEXXLEVQRY RAELSEDDVF VIPAAYPVAI NATSNLNFFA FGINAENNQR DATA SEQUENCE NFLAGGKDNV MSEIPTEVLE VSFPASGKKV EKLIKKQSES HFVDAQP 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 13 S HA 0.000 nan 4.470 nan 0.000 0.327 13 S C 0.000 174.560 174.600 -0.067 0.000 1.055 13 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 13 S CB 0.000 63.177 63.200 -0.039 0.000 0.593 14 D N 2.776 123.137 120.400 -0.065 0.000 2.358 14 D HA 0.574 5.214 4.640 -0.001 0.000 0.244 14 D C -0.413 175.842 176.300 -0.074 0.000 1.163 14 D CA 0.171 54.114 54.000 -0.096 0.000 0.945 14 D CB 1.190 41.954 40.800 -0.059 0.000 1.152 14 D HN 0.188 nan 8.370 nan 0.000 0.451 15 S N 0.831 116.474 115.700 -0.095 0.000 2.520 15 S HA 0.451 4.920 4.470 -0.001 0.000 0.324 15 S C 0.044 174.706 174.600 0.103 0.000 1.069 15 S CA -0.728 57.487 58.200 0.026 0.000 1.121 15 S CB 0.741 64.010 63.200 0.115 0.000 0.971 15 S HN 0.190 nan 8.310 nan 0.000 0.463 16 R N 1.065 121.610 120.500 0.075 0.000 2.892 16 R HA 0.788 5.128 4.340 -0.001 0.000 0.265 16 R C 1.044 177.389 176.300 0.075 0.000 1.025 16 R CA -0.425 55.717 56.100 0.069 0.000 0.982 16 R CB 1.029 31.347 30.300 0.030 0.000 1.185 16 R HN 0.744 nan 8.270 nan 0.000 0.484 17 G N 1.202 110.024 108.800 0.036 0.000 2.614 17 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.303 17 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.303 17 G C 0.505 175.549 174.900 0.241 0.000 1.270 17 G CA 0.348 45.489 45.100 0.070 0.000 0.988 17 G HN 0.639 nan 8.290 nan 0.000 0.551 18 E N 1.513 121.852 120.200 0.231 0.000 2.472 18 E HA -0.042 4.308 4.350 -0.001 0.000 0.200 18 E C 1.945 178.601 176.600 0.093 0.000 1.046 18 E CA 0.680 57.193 56.400 0.188 0.000 0.871 18 E CB -0.208 29.561 29.700 0.114 0.000 0.806 18 E HN 0.465 nan 8.360 nan 0.000 0.533 19 N N 1.089 119.845 118.700 0.092 0.000 2.299 19 N HA -0.058 4.682 4.740 -0.001 0.000 0.187 19 N C 0.323 175.874 175.510 0.069 0.000 1.099 19 N CA 0.028 53.109 53.050 0.052 0.000 0.867 19 N CB 0.124 38.639 38.487 0.045 0.000 0.974 19 N HN 0.040 nan 8.380 nan 0.000 0.477 20 N N 2.916 121.694 118.700 0.130 0.000 2.401 20 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 20 N C -1.610 173.898 175.510 -0.004 0.000 1.110 20 N CA -1.721 51.444 53.050 0.190 0.000 0.949 20 N CB 1.384 40.065 38.487 0.323 0.000 1.110 20 N HN 0.030 nan 8.380 nan 0.000 0.490 21 P HA -0.083 nan 4.420 nan 0.000 0.225 21 P C 0.531 177.422 177.300 -0.682 0.000 1.148 21 P CA 0.977 63.764 63.100 -0.520 0.000 0.779 21 P CB 0.008 31.335 31.700 -0.621 0.000 0.780 22 F N -2.020 117.791 119.950 -0.231 0.000 2.765 22 F HA 0.164 4.691 4.527 -0.001 0.000 0.302 22 F C 1.283 176.860 175.800 -0.372 0.000 1.111 22 F CA -0.574 57.207 58.000 -0.365 0.000 1.359 22 F CB -0.854 37.736 39.000 -0.684 0.000 1.097 22 F HN -0.120 nan 8.300 nan 0.000 0.577 23 Y N 0.374 120.567 120.300 -0.179 0.000 2.341 23 Y HA 0.420 4.969 4.550 -0.001 0.000 0.340 23 Y C -1.062 174.742 175.900 -0.161 0.000 0.997 23 Y CA -0.977 57.181 58.100 0.097 0.000 1.149 23 Y CB 0.279 38.882 38.460 0.239 0.000 1.171 23 Y HN -0.110 nan 8.280 nan 0.000 0.494 24 F N 5.284 125.091 119.950 -0.239 0.000 2.451 24 F HA 0.225 4.751 4.527 -0.001 0.000 0.367 24 F C 0.284 175.830 175.800 -0.423 0.000 1.100 24 F CA -0.927 56.872 58.000 -0.335 0.000 1.171 24 F CB 0.815 39.692 39.000 -0.204 0.000 1.405 24 F HN 0.471 nan 8.300 nan 0.000 0.482 25 S N -0.062 115.248 115.700 -0.651 0.000 2.572 25 S HA 0.064 4.533 4.470 -0.001 0.000 0.279 25 S C 1.303 175.961 174.600 0.096 0.000 1.341 25 S CA -0.116 57.868 58.200 -0.359 0.000 1.043 25 S CB 1.438 64.429 63.200 -0.348 0.000 0.887 25 S HN 0.634 nan 8.310 nan 0.000 0.516 26 S N 0.793 116.618 115.700 0.208 0.000 2.453 26 S HA -0.082 4.387 4.470 -0.001 0.000 0.231 26 S C 0.880 175.549 174.600 0.116 0.000 1.005 26 S CA 0.702 59.038 58.200 0.227 0.000 0.949 26 S CB -0.508 62.694 63.200 0.004 0.000 0.774 26 S HN 0.749 nan 8.310 nan 0.000 0.510 27 D N 1.603 122.053 120.400 0.083 0.000 2.178 27 D HA 0.037 4.677 4.640 -0.001 0.000 0.202 27 D C 1.974 178.302 176.300 0.048 0.000 0.974 27 D CA 1.026 55.059 54.000 0.055 0.000 0.841 27 D CB -0.023 40.818 40.800 0.069 0.000 0.953 27 D HN 0.427 nan 8.370 nan 0.000 0.478 28 R N -0.969 119.554 120.500 0.040 0.000 2.526 28 R HA 0.221 4.560 4.340 -0.001 0.000 0.346 28 R C 0.478 176.781 176.300 0.005 0.000 0.926 28 R CA 0.029 56.150 56.100 0.035 0.000 1.147 28 R CB 0.370 30.689 30.300 0.032 0.000 1.629 28 R HN -0.248 nan 8.270 nan 0.000 0.516 29 R N -0.524 119.932 120.500 -0.073 0.000 2.586 29 R HA 0.444 4.783 4.340 -0.001 0.000 0.336 29 R C -1.267 174.589 176.300 -0.740 0.000 1.060 29 R CA -0.006 55.921 56.100 -0.289 0.000 1.079 29 R CB -0.044 30.134 30.300 -0.202 0.000 1.317 29 R HN -0.035 nan 8.270 nan 0.000 0.568 30 F N -1.099 118.533 119.950 -0.530 0.000 2.593 30 F HA 0.402 4.928 4.527 -0.001 0.000 0.320 30 F C 0.077 175.709 175.800 -0.280 0.000 1.060 30 F CA -0.893 56.868 58.000 -0.399 0.000 0.940 30 F CB 1.589 40.480 39.000 -0.182 0.000 1.268 30 F HN -0.053 nan 8.300 nan 0.000 0.475 31 H N 0.767 119.860 119.070 0.039 0.000 2.529 31 H HA 0.346 4.901 4.556 -0.001 0.000 0.348 31 H C -1.247 174.141 175.328 0.100 0.000 1.079 31 H CA -0.589 55.526 56.048 0.112 0.000 1.198 31 H CB 1.695 31.562 29.762 0.174 0.000 1.521 31 H HN 0.545 nan 8.280 nan 0.000 0.514 32 T N 6.878 121.096 114.554 -0.559 0.000 2.737 32 T HA 0.122 4.471 4.350 -0.001 0.000 0.296 32 T C 1.771 176.144 174.700 -0.545 0.000 0.922 32 T CA -0.335 61.509 62.100 -0.426 0.000 1.079 32 T CB 0.495 69.178 68.868 -0.307 0.000 0.892 32 T HN 0.551 nan 8.240 nan 0.000 0.514 33 L N 2.639 123.763 121.223 -0.165 0.000 2.249 33 L HA 0.409 4.748 4.340 -0.001 0.000 0.207 33 L C 0.226 177.177 176.870 0.136 0.000 1.090 33 L CA 0.540 55.392 54.840 0.019 0.000 0.802 33 L CB 0.208 42.360 42.059 0.156 0.000 0.947 33 L HN 0.549 nan 8.230 nan 0.000 0.453 34 F N -1.064 118.866 119.950 -0.034 0.000 2.672 34 F HA 0.462 4.989 4.527 -0.001 0.000 0.311 34 F C -0.889 174.919 175.800 0.013 0.000 1.113 34 F CA -0.581 57.406 58.000 -0.022 0.000 0.996 34 F CB 1.786 40.775 39.000 -0.018 0.000 1.286 34 F HN -0.360 nan 8.300 nan 0.000 0.441 35 T N 4.846 118.858 114.554 -0.904 0.000 3.193 35 T HA 0.585 4.934 4.350 -0.001 0.000 0.332 35 T C -1.811 172.461 174.700 -0.713 0.000 1.208 35 T CA -0.449 61.343 62.100 -0.514 0.000 1.080 35 T CB 0.841 69.570 68.868 -0.231 0.000 1.180 35 T HN 1.081 nan 8.240 nan 0.000 0.469 36 N N 2.268 120.745 118.700 -0.373 0.000 3.418 36 N HA 0.235 4.975 4.740 -0.001 0.000 0.316 36 N C 0.954 176.332 175.510 -0.220 0.000 1.601 36 N CA -0.422 52.454 53.050 -0.290 0.000 0.805 36 N CB 0.255 38.642 38.487 -0.168 0.000 1.873 36 N HN 0.654 nan 8.380 nan 0.000 0.615 37 Q N -1.107 118.484 119.800 -0.348 0.000 2.364 37 Q HA -0.054 4.285 4.340 -0.001 0.000 0.207 37 Q C 0.342 176.114 176.000 -0.381 0.000 0.970 37 Q CA 1.353 56.899 55.803 -0.429 0.000 0.888 37 Q CB -0.534 27.834 28.738 -0.617 0.000 0.951 37 Q HN 0.710 nan 8.270 nan 0.000 0.469 38 Y N 0.221 120.523 120.300 0.002 0.000 2.458 38 Y HA 0.414 4.963 4.550 -0.001 0.000 0.254 38 Y C 1.156 177.020 175.900 -0.060 0.000 1.120 38 Y CA -0.290 57.806 58.100 -0.007 0.000 1.282 38 Y CB 1.288 39.769 38.460 0.035 0.000 1.109 38 Y HN 0.290 nan 8.280 nan 0.000 0.526 39 G N -0.457 108.368 108.800 0.042 0.000 2.327 39 G HA2 0.355 4.314 3.960 -0.001 0.000 0.291 39 G HA3 0.355 4.314 3.960 -0.001 0.000 0.291 39 G C -2.110 172.756 174.900 -0.056 0.000 1.290 39 G CA -0.760 44.244 45.100 -0.161 0.000 0.857 39 G HN 0.265 nan 8.290 nan 0.000 0.520 40 H N -1.938 117.088 119.070 -0.074 0.000 3.017 40 H HA 0.817 5.372 4.556 -0.001 0.000 0.346 40 H C -1.722 173.669 175.328 0.105 0.000 1.286 40 H CA -1.227 54.848 56.048 0.044 0.000 1.120 40 H CB 1.286 31.011 29.762 -0.062 0.000 1.860 40 H HN 0.609 nan 8.280 nan 0.000 0.542 41 L N 1.993 123.502 121.223 0.476 0.000 2.349 41 L HA 0.622 4.962 4.340 -0.001 0.000 0.278 41 L C -0.555 176.473 176.870 0.264 0.000 0.996 41 L CA -0.594 54.508 54.840 0.437 0.000 0.825 41 L CB 1.434 43.748 42.059 0.424 0.000 1.243 41 L HN 0.622 nan 8.230 nan 0.000 0.412 42 R N 4.026 124.665 120.500 0.231 0.000 2.686 42 R HA 0.615 4.954 4.340 -0.001 0.000 0.286 42 R C -1.222 175.287 176.300 0.348 0.000 0.969 42 R CA -0.840 55.356 56.100 0.159 0.000 0.898 42 R CB 3.277 33.534 30.300 -0.070 0.000 1.183 42 R HN 0.493 nan 8.270 nan 0.000 0.456 43 I N 2.918 123.704 120.570 0.360 0.000 2.433 43 I HA 0.237 4.406 4.170 -0.001 0.000 0.292 43 I C -0.771 175.451 176.117 0.176 0.000 1.001 43 I CA -1.247 60.247 61.300 0.324 0.000 1.119 43 I CB 1.514 39.666 38.000 0.254 0.000 1.289 43 I HN 0.439 nan 8.210 nan 0.000 0.438 44 L N 7.786 128.939 121.223 -0.117 0.000 2.426 44 L HA 0.231 4.570 4.340 -0.001 0.000 0.271 44 L C 0.008 176.667 176.870 -0.352 0.000 1.169 44 L CA 0.259 54.685 54.840 -0.689 0.000 0.836 44 L CB 0.161 41.733 42.059 -0.812 0.000 1.112 44 L HN 0.484 nan 8.230 nan 0.000 0.465 45 H N 4.090 122.983 119.070 -0.295 0.000 2.871 45 H HA 0.131 4.687 4.556 -0.001 0.000 0.355 45 H C 0.094 175.273 175.328 -0.249 0.000 1.092 45 H CA 0.117 56.065 56.048 -0.167 0.000 1.420 45 H CB 0.245 29.958 29.762 -0.081 0.000 1.400 45 H HN 0.500 nan 8.280 nan 0.000 0.604 46 R N 2.165 122.625 120.500 -0.067 0.000 2.583 46 R HA -0.074 4.266 4.340 -0.001 0.000 0.274 46 R C 1.047 177.308 176.300 -0.066 0.000 0.998 46 R CA 0.165 56.172 56.100 -0.154 0.000 1.081 46 R CB 0.176 30.414 30.300 -0.102 0.000 0.940 46 R HN 0.582 nan 8.270 nan 0.000 0.413 47 F N 1.586 121.557 119.950 0.035 0.000 2.102 47 F HA -0.270 4.257 4.527 -0.001 0.000 0.298 47 F C 2.345 178.196 175.800 0.086 0.000 1.105 47 F CA 1.444 59.486 58.000 0.071 0.000 1.239 47 F CB -0.154 38.826 39.000 -0.033 0.000 0.991 47 F HN 0.653 nan 8.300 nan 0.000 0.474 48 D N -0.393 120.132 120.400 0.207 0.000 2.219 48 D HA -0.158 4.481 4.640 -0.001 0.000 0.205 48 D C 1.622 177.936 176.300 0.023 0.000 0.970 48 D CA 0.853 54.905 54.000 0.087 0.000 0.851 48 D CB -0.643 40.169 40.800 0.021 0.000 0.943 48 D HN 0.290 nan 8.370 nan 0.000 0.488 49 Q N 0.204 120.002 119.800 -0.002 0.000 2.311 49 Q HA 0.016 4.355 4.340 -0.001 0.000 0.203 49 Q C 2.118 178.100 176.000 -0.030 0.000 0.954 49 Q CA 0.473 56.252 55.803 -0.040 0.000 0.885 49 Q CB -0.077 28.615 28.738 -0.077 0.000 0.963 49 Q HN 0.439 nan 8.270 nan 0.000 0.471 50 R N -0.404 120.106 120.500 0.017 0.000 2.189 50 R HA 0.090 4.429 4.340 -0.001 0.000 0.203 50 R C -0.020 176.224 176.300 -0.092 0.000 1.012 50 R CA 0.423 56.490 56.100 -0.055 0.000 1.015 50 R CB 0.559 30.807 30.300 -0.087 0.000 0.938 50 R HN -0.016 nan 8.270 nan 0.000 0.472 51 S N -0.531 115.152 115.700 -0.028 0.000 2.563 51 S HA 0.220 4.689 4.470 -0.001 0.000 0.279 51 S C -0.560 174.041 174.600 0.003 0.000 1.155 51 S CA -0.846 57.309 58.200 -0.074 0.000 0.928 51 S CB 1.357 64.412 63.200 -0.242 0.000 1.107 51 S HN 0.064 nan 8.310 nan 0.000 0.462 52 K N 2.914 123.317 120.400 0.005 0.000 2.365 52 K HA 0.051 4.371 4.320 -0.001 0.000 0.199 52 K C 1.636 178.272 176.600 0.060 0.000 1.045 52 K CA 0.941 57.249 56.287 0.035 0.000 0.962 52 K CB -0.214 32.305 32.500 0.031 0.000 0.759 52 K HN 0.689 nan 8.250 nan 0.000 0.469 53 Q N 0.447 120.294 119.800 0.078 0.000 2.364 53 Q HA -0.028 4.311 4.340 -0.001 0.000 0.209 53 Q C 1.163 177.223 176.000 0.099 0.000 0.977 53 Q CA 0.874 56.763 55.803 0.143 0.000 0.885 53 Q CB -0.093 28.817 28.738 0.287 0.000 0.941 53 Q HN 0.470 nan 8.270 nan 0.000 0.464 54 I N -2.995 117.629 120.570 0.089 0.000 3.176 54 I HA 0.238 4.407 4.170 -0.001 0.000 0.339 54 I C 1.082 177.226 176.117 0.044 0.000 1.505 54 I CA -0.341 60.976 61.300 0.028 0.000 0.969 54 I CB 0.423 38.434 38.000 0.018 0.000 1.636 54 I HN -0.152 nan 8.210 nan 0.000 0.523 55 Q N 2.268 122.101 119.800 0.056 0.000 2.135 55 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 55 Q C 1.395 177.441 176.000 0.076 0.000 0.981 55 Q CA 2.038 57.881 55.803 0.066 0.000 0.856 55 Q CB -0.162 28.611 28.738 0.057 0.000 0.902 55 Q HN 0.565 nan 8.270 nan 0.000 0.425 56 N N -0.334 118.399 118.700 0.054 0.000 2.567 56 N HA -0.006 4.733 4.740 -0.001 0.000 0.195 56 N C 0.221 175.795 175.510 0.105 0.000 1.242 56 N CA 0.417 53.509 53.050 0.070 0.000 0.884 56 N CB 0.141 38.655 38.487 0.045 0.000 1.007 56 N HN 0.367 nan 8.380 nan 0.000 0.450 57 L N 0.186 121.465 121.223 0.093 0.000 2.693 57 L HA 0.082 4.422 4.340 -0.001 0.000 0.235 57 L C 1.876 178.959 176.870 0.356 0.000 1.127 57 L CA 0.066 54.994 54.840 0.147 0.000 0.914 57 L CB 0.085 41.968 42.059 -0.295 0.000 1.193 57 L HN 0.198 nan 8.230 nan 0.000 0.502 58 E N -0.177 120.174 120.200 0.251 0.000 2.273 58 E HA -0.234 4.116 4.350 -0.001 0.000 0.198 58 E C 0.815 177.581 176.600 0.277 0.000 1.002 58 E CA 1.207 57.749 56.400 0.236 0.000 0.828 58 E CB -0.128 29.682 29.700 0.182 0.000 0.747 58 E HN 0.411 nan 8.360 nan 0.000 0.491 59 N N -0.350 118.449 118.700 0.165 0.000 2.322 59 N HA 0.069 4.808 4.740 -0.001 0.000 0.194 59 N C -1.056 174.289 175.510 -0.275 0.000 1.126 59 N CA 0.299 53.310 53.050 -0.064 0.000 0.845 59 N CB 0.252 38.597 38.487 -0.237 0.000 0.976 59 N HN 0.226 nan 8.380 nan 0.000 0.475 60 Y N -0.042 120.366 120.300 0.180 0.000 2.446 60 Y HA 0.505 5.054 4.550 -0.001 0.000 0.345 60 Y C 0.441 176.492 175.900 0.250 0.000 0.984 60 Y CA -0.931 57.281 58.100 0.185 0.000 1.058 60 Y CB 1.518 40.073 38.460 0.159 0.000 1.220 60 Y HN -0.328 nan 8.280 nan 0.000 0.455 61 R N 1.158 121.858 120.500 0.334 0.000 2.854 61 R HA 0.778 5.117 4.340 -0.001 0.000 0.271 61 R C -1.633 174.802 176.300 0.225 0.000 0.994 61 R CA -1.260 54.979 56.100 0.232 0.000 0.945 61 R CB 2.226 32.746 30.300 0.367 0.000 1.194 61 R HN 0.477 nan 8.270 nan 0.000 0.476 62 V N 1.706 121.694 119.914 0.122 0.000 2.531 62 V HA 0.452 4.572 4.120 -0.001 0.000 0.301 62 V C -0.515 175.734 176.094 0.259 0.000 1.034 62 V CA -0.789 61.616 62.300 0.175 0.000 0.865 62 V CB 2.346 34.254 31.823 0.142 0.000 0.995 62 V HN 0.386 nan 8.190 nan 0.000 0.424 63 V N 4.403 124.498 119.914 0.301 0.000 2.555 63 V HA 0.519 4.638 4.120 -0.001 0.000 0.302 63 V C -0.246 176.043 176.094 0.325 0.000 1.038 63 V CA -0.663 61.840 62.300 0.338 0.000 0.887 63 V CB 2.068 34.068 31.823 0.295 0.000 0.991 63 V HN 0.890 nan 8.190 nan 0.000 0.434 64 E N 3.311 123.710 120.200 0.332 0.000 2.171 64 E HA 0.501 4.850 4.350 -0.001 0.000 0.271 64 E C -1.596 175.182 176.600 0.297 0.000 0.916 64 E CA -0.471 56.073 56.400 0.240 0.000 0.774 64 E CB 2.685 32.408 29.700 0.038 0.000 1.128 64 E HN 0.557 nan 8.360 nan 0.000 0.403 65 F N 3.153 123.163 119.950 0.100 0.000 2.529 65 F HA 0.445 4.971 4.527 -0.001 0.000 0.320 65 F C -0.941 174.849 175.800 -0.018 0.000 1.118 65 F CA -0.671 57.375 58.000 0.076 0.000 0.915 65 F CB 1.184 40.230 39.000 0.077 0.000 1.161 65 F HN 0.197 nan 8.300 nan 0.000 0.445 66 K N 4.297 124.141 120.400 -0.926 0.000 2.427 66 K HA 0.707 5.027 4.320 -0.001 0.000 0.252 66 K C -1.761 174.187 176.600 -1.087 0.000 0.931 66 K CA -0.576 55.190 56.287 -0.869 0.000 0.793 66 K CB 1.857 33.916 32.500 -0.735 0.000 1.211 66 K HN 0.768 nan 8.250 nan 0.000 0.426 67 S N 2.418 117.702 115.700 -0.693 0.000 2.536 67 S HA 0.447 4.917 4.470 -0.001 0.000 0.271 67 S C -0.907 173.594 174.600 -0.166 0.000 1.134 67 S CA -1.122 56.836 58.200 -0.403 0.000 0.897 67 S CB 1.559 64.596 63.200 -0.271 0.000 1.094 67 S HN 0.628 nan 8.310 nan 0.000 0.473 68 K N 1.438 121.799 120.400 -0.065 0.000 2.132 68 K HA 0.413 4.733 4.320 -0.001 0.000 0.240 68 K C -2.408 174.188 176.600 -0.006 0.000 1.036 68 K CA -1.971 54.306 56.287 -0.016 0.000 0.888 68 K CB -0.040 32.490 32.500 0.049 0.000 1.071 68 K HN 0.478 nan 8.250 nan 0.000 0.502 69 P HA -0.082 nan 4.420 nan 0.000 0.266 69 P C -1.042 176.242 177.300 -0.027 0.000 1.195 69 P CA 0.475 63.570 63.100 -0.009 0.000 0.768 69 P CB 0.109 31.805 31.700 -0.005 0.000 0.838 70 N N -1.606 117.079 118.700 -0.025 0.000 2.735 70 N HA -0.140 4.599 4.740 -0.001 0.000 0.248 70 N C -0.181 175.279 175.510 -0.084 0.000 1.083 70 N CA 1.014 54.036 53.050 -0.046 0.000 0.703 70 N CB -1.543 36.910 38.487 -0.056 0.000 1.005 70 N HN 0.659 nan 8.380 nan 0.000 0.550 71 T N -2.218 112.307 114.554 -0.050 0.000 2.950 71 T HA 0.757 5.107 4.350 -0.001 0.000 0.288 71 T C -0.414 174.302 174.700 0.027 0.000 1.035 71 T CA -0.992 61.070 62.100 -0.063 0.000 1.028 71 T CB 2.600 71.457 68.868 -0.018 0.000 1.109 71 T HN 0.184 nan 8.240 nan 0.000 0.514 72 L N 1.361 122.604 121.223 0.034 0.000 2.464 72 L HA 0.717 5.057 4.340 -0.001 0.000 0.266 72 L C -1.656 175.289 176.870 0.126 0.000 0.965 72 L CA -1.086 53.808 54.840 0.089 0.000 0.833 72 L CB 1.911 43.981 42.059 0.019 0.000 1.296 72 L HN 0.803 nan 8.230 nan 0.000 0.405 73 L N 5.546 126.876 121.223 0.180 0.000 2.257 73 L HA 0.519 4.858 4.340 -0.001 0.000 0.290 73 L C -0.687 176.279 176.870 0.159 0.000 1.044 73 L CA -0.025 54.907 54.840 0.153 0.000 0.810 73 L CB 0.681 42.772 42.059 0.053 0.000 1.193 73 L HN 0.662 nan 8.230 nan 0.000 0.425 74 L N 6.435 127.753 121.223 0.159 0.000 2.499 74 L HA 0.162 4.501 4.340 -0.001 0.000 0.281 74 L C -1.784 175.246 176.870 0.266 0.000 1.234 74 L CA -1.603 53.347 54.840 0.183 0.000 0.839 74 L CB -0.246 41.915 42.059 0.171 0.000 1.104 74 L HN 0.524 nan 8.230 nan 0.000 0.500 75 P HA -0.014 nan 4.420 nan 0.000 0.262 75 P C -1.008 176.358 177.300 0.111 0.000 1.182 75 P CA 0.745 63.954 63.100 0.181 0.000 0.761 75 P CB 0.253 32.053 31.700 0.166 0.000 0.795 76 H N 0.742 119.642 119.070 -0.284 0.000 2.987 76 H HA 0.416 4.971 4.556 -0.001 0.000 0.316 76 H C -1.399 173.838 175.328 -0.152 0.000 1.380 76 H CA -0.748 55.075 56.048 -0.374 0.000 1.160 76 H CB 1.130 30.071 29.762 -1.368 0.000 1.865 76 H HN 0.586 nan 8.280 nan 0.000 0.521 77 H N 0.838 119.859 119.070 -0.081 0.000 2.946 77 H HA 0.881 5.437 4.556 -0.001 0.000 0.365 77 H C -1.613 173.849 175.328 0.224 0.000 1.197 77 H CA -0.602 55.457 56.048 0.019 0.000 1.131 77 H CB 2.034 31.817 29.762 0.035 0.000 1.849 77 H HN 0.923 nan 8.280 nan 0.000 0.555 78 A N 1.193 124.150 122.820 0.228 0.000 2.498 78 A HA 0.310 4.630 4.320 -0.001 0.000 0.298 78 A C -0.948 176.694 177.584 0.097 0.000 1.075 78 A CA -0.491 51.685 52.037 0.231 0.000 0.714 78 A CB 1.354 20.571 19.000 0.362 0.000 1.299 78 A HN 0.803 nan 8.150 nan 0.000 0.407 79 D N 0.572 121.068 120.400 0.161 0.000 2.845 79 D HA 0.494 5.133 4.640 -0.001 0.000 0.235 79 D C -0.121 176.135 176.300 -0.072 0.000 1.158 79 D CA 0.474 54.510 54.000 0.060 0.000 0.990 79 D CB 0.037 40.918 40.800 0.134 0.000 1.094 79 D HN 0.967 nan 8.370 nan 0.000 0.486 80 A N 0.824 123.443 122.820 -0.334 0.000 2.555 80 A HA 0.396 4.715 4.320 -0.001 0.000 0.297 80 A C -1.374 175.712 177.584 -0.830 0.000 1.060 80 A CA -1.005 50.669 52.037 -0.604 0.000 0.710 80 A CB 1.158 19.572 19.000 -0.977 0.000 1.282 80 A HN 0.077 nan 8.150 nan 0.000 0.399 81 D N 0.676 120.754 120.400 -0.537 0.000 2.345 81 D HA 0.618 5.257 4.640 -0.001 0.000 0.247 81 D C -0.869 175.154 176.300 -0.461 0.000 1.108 81 D CA 1.124 54.885 54.000 -0.398 0.000 0.894 81 D CB 0.317 41.002 40.800 -0.193 0.000 1.203 81 D HN 0.230 nan 8.370 nan 0.000 0.430 82 F N 1.392 121.257 119.950 -0.142 0.000 2.532 82 F HA 0.418 4.944 4.527 -0.001 0.000 0.321 82 F C -0.307 175.436 175.800 -0.095 0.000 1.089 82 F CA -1.119 56.793 58.000 -0.146 0.000 0.926 82 F CB 1.272 40.157 39.000 -0.191 0.000 1.168 82 F HN 0.058 nan 8.300 nan 0.000 0.459 83 L N 4.978 126.300 121.223 0.165 0.000 2.384 83 L HA 0.513 4.852 4.340 -0.001 0.000 0.261 83 L C -1.231 175.731 176.870 0.153 0.000 1.024 83 L CA -0.350 54.578 54.840 0.146 0.000 0.899 83 L CB 0.555 42.724 42.059 0.183 0.000 1.243 83 L HN 0.614 nan 8.230 nan 0.000 0.449 84 L N 4.975 126.227 121.223 0.047 0.000 2.367 84 L HA 0.617 4.956 4.340 -0.001 0.000 0.275 84 L C -0.973 175.882 176.870 -0.024 0.000 1.129 84 L CA -0.158 54.674 54.840 -0.014 0.000 0.839 84 L CB 1.037 43.017 42.059 -0.132 0.000 1.133 84 L HN 0.408 nan 8.230 nan 0.000 0.453 85 V N 5.317 125.210 119.914 -0.034 0.000 2.638 85 V HA 0.292 4.412 4.120 -0.001 0.000 0.306 85 V C -0.386 175.586 176.094 -0.203 0.000 1.052 85 V CA -0.730 61.446 62.300 -0.208 0.000 0.885 85 V CB 2.062 33.574 31.823 -0.519 0.000 0.999 85 V HN 0.453 nan 8.190 nan 0.000 0.424 86 V N 6.128 125.929 119.914 -0.189 0.000 2.372 86 V HA 0.233 4.353 4.120 -0.001 0.000 0.261 86 V C 1.021 177.013 176.094 -0.170 0.000 1.055 86 V CA 0.122 62.354 62.300 -0.113 0.000 0.930 86 V CB 0.951 32.743 31.823 -0.051 0.000 1.031 86 V HN 0.757 nan 8.190 nan 0.000 0.479 87 L N 3.513 124.652 121.223 -0.141 0.000 2.162 87 L HA 0.172 4.512 4.340 -0.001 0.000 0.205 87 L C 0.827 177.664 176.870 -0.055 0.000 1.086 87 L CA 1.016 55.781 54.840 -0.126 0.000 0.778 87 L CB 0.093 42.111 42.059 -0.068 0.000 0.928 87 L HN 0.681 nan 8.230 nan 0.000 0.446 88 N N -1.513 117.168 118.700 -0.032 0.000 2.406 88 N HA 0.506 5.246 4.740 -0.001 0.000 0.283 88 N C -0.406 175.098 175.510 -0.011 0.000 1.074 88 N CA 0.538 53.578 53.050 -0.016 0.000 0.916 88 N CB 1.903 40.385 38.487 -0.007 0.000 1.639 88 N HN 0.210 nan 8.380 nan 0.000 0.485 89 G N 1.514 110.309 108.800 -0.008 0.000 2.472 89 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.205 89 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.205 89 G C -1.430 173.468 174.900 -0.003 0.000 1.270 89 G CA -0.311 44.787 45.100 -0.004 0.000 0.974 89 G HN 0.798 nan 8.290 nan 0.000 0.542 90 R N -0.675 119.827 120.500 0.002 0.000 2.836 90 R HA 0.924 5.264 4.340 -0.001 0.000 0.269 90 R C -0.410 175.896 176.300 0.010 0.000 1.010 90 R CA -0.319 55.777 56.100 -0.007 0.000 0.930 90 R CB 1.781 32.073 30.300 -0.013 0.000 1.218 90 R HN 2.390 nan 8.270 nan 0.000 0.473 91 A N 1.525 124.343 122.820 -0.002 0.000 2.608 91 A HA 0.580 4.899 4.320 -0.001 0.000 0.292 91 A C -1.389 176.201 177.584 0.011 0.000 1.066 91 A CA -0.948 51.105 52.037 0.027 0.000 0.676 91 A CB 1.575 20.608 19.000 0.055 0.000 1.277 91 A HN 0.650 nan 8.150 nan 0.000 0.413 92 I N 1.520 122.114 120.570 0.039 0.000 2.354 92 I HA 0.363 4.533 4.170 -0.001 0.000 0.286 92 I C -0.942 175.189 176.117 0.024 0.000 1.007 92 I CA -0.617 60.701 61.300 0.030 0.000 1.167 92 I CB 1.512 39.543 38.000 0.052 0.000 1.320 92 I HN 0.536 nan 8.210 nan 0.000 0.458 93 L N 7.117 128.339 121.223 -0.002 0.000 2.280 93 L HA 0.536 4.875 4.340 -0.001 0.000 0.287 93 L C -0.398 176.392 176.870 -0.134 0.000 1.023 93 L CA 0.419 55.240 54.840 -0.032 0.000 0.819 93 L CB 1.423 43.483 42.059 0.002 0.000 1.212 93 L HN 0.455 nan 8.230 nan 0.000 0.420 94 T N 6.581 120.906 114.554 -0.382 0.000 2.786 94 T HA 0.538 4.887 4.350 -0.001 0.000 0.283 94 T C -0.296 174.149 174.700 -0.425 0.000 0.992 94 T CA -0.329 61.431 62.100 -0.567 0.000 0.954 94 T CB 0.793 68.973 68.868 -1.147 0.000 0.934 94 T HN 0.436 nan 8.240 nan 0.000 0.440 95 L N 3.321 124.429 121.223 -0.191 0.000 2.275 95 L HA 0.595 4.934 4.340 -0.001 0.000 0.288 95 L C -0.331 176.512 176.870 -0.045 0.000 1.046 95 L CA -1.100 53.708 54.840 -0.053 0.000 0.805 95 L CB 1.193 43.258 42.059 0.011 0.000 1.193 95 L HN 0.315 nan 8.230 nan 0.000 0.426 96 V N 3.495 123.422 119.914 0.022 0.000 2.347 96 V HA 0.325 4.445 4.120 -0.001 0.000 0.280 96 V C 0.133 176.256 176.094 0.048 0.000 1.021 96 V CA -0.703 61.632 62.300 0.059 0.000 0.847 96 V CB 0.998 32.906 31.823 0.142 0.000 0.990 96 V HN 0.722 nan 8.190 nan 0.000 0.444 97 N N 5.435 124.153 118.700 0.029 0.000 2.491 97 N HA 0.417 5.156 4.740 -0.001 0.000 0.279 97 N C -1.731 173.786 175.510 0.012 0.000 1.236 97 N CA -1.420 51.639 53.050 0.015 0.000 0.982 97 N CB 1.143 39.635 38.487 0.009 0.000 1.194 97 N HN 0.214 nan 8.380 nan 0.000 0.582 98 P HA -0.075 nan 4.420 nan 0.000 0.216 98 P C -0.163 177.137 177.300 0.000 0.000 1.150 98 P CA 1.463 64.559 63.100 -0.005 0.000 0.837 98 P CB 0.161 31.851 31.700 -0.018 0.000 0.786 99 D N -1.777 118.623 120.400 0.000 0.000 2.837 99 D HA 0.214 4.854 4.640 -0.001 0.000 0.340 99 D C -0.301 176.000 176.300 0.002 0.000 1.451 99 D CA -0.226 53.775 54.000 0.000 0.000 0.798 99 D CB 0.100 40.898 40.800 -0.005 0.000 1.169 99 D HN 0.168 nan 8.370 nan 0.000 0.449 100 S N -0.149 115.555 115.700 0.006 0.000 2.718 100 S HA 0.503 4.972 4.470 -0.001 0.000 0.271 100 S C -1.454 173.149 174.600 0.005 0.000 0.999 100 S CA -1.199 57.002 58.200 0.002 0.000 0.899 100 S CB 1.596 64.793 63.200 -0.005 0.000 1.148 100 S HN 0.522 nan 8.310 nan 0.000 0.463 101 R N 0.296 120.791 120.500 -0.009 0.000 2.739 101 R HA 0.863 5.203 4.340 -0.001 0.000 0.271 101 R C -2.169 174.079 176.300 -0.086 0.000 1.010 101 R CA -0.901 55.185 56.100 -0.023 0.000 0.897 101 R CB 1.538 31.849 30.300 0.018 0.000 1.236 101 R HN 0.574 nan 8.270 nan 0.000 0.466 102 D N 1.016 121.321 120.400 -0.158 0.000 2.863 102 D HA 0.301 4.941 4.640 -0.001 0.000 0.245 102 D C -1.018 174.944 176.300 -0.563 0.000 1.211 102 D CA -0.534 53.250 54.000 -0.359 0.000 0.888 102 D CB 2.484 43.098 40.800 -0.310 0.000 1.483 102 D HN 0.455 nan 8.370 nan 0.000 0.533 103 S N 1.367 116.704 115.700 -0.605 0.000 2.475 103 S HA 0.628 5.097 4.470 -0.001 0.000 0.298 103 S C -1.053 173.170 174.600 -0.629 0.000 1.119 103 S CA -0.547 57.371 58.200 -0.469 0.000 1.085 103 S CB 0.838 63.933 63.200 -0.174 0.000 1.028 103 S HN 0.260 nan 8.310 nan 0.000 0.489 104 Y N 1.118 121.383 120.300 -0.058 0.000 2.524 104 Y HA 0.510 5.059 4.550 -0.001 0.000 0.347 104 Y C -0.344 175.502 175.900 -0.089 0.000 1.005 104 Y CA -1.185 56.877 58.100 -0.063 0.000 1.025 104 Y CB 0.890 39.309 38.460 -0.067 0.000 1.275 104 Y HN 0.375 nan 8.280 nan 0.000 0.460 105 I N 4.286 124.887 120.570 0.052 0.000 2.321 105 I HA 0.243 4.413 4.170 -0.001 0.000 0.291 105 I C -0.923 175.050 176.117 -0.241 0.000 0.998 105 I CA -0.766 60.496 61.300 -0.063 0.000 1.227 105 I CB 0.821 38.786 38.000 -0.059 0.000 1.368 105 I HN 0.372 nan 8.210 nan 0.000 0.466 106 L N 6.640 127.716 121.223 -0.244 0.000 2.305 106 L HA 0.406 4.745 4.340 -0.001 0.000 0.284 106 L C 0.321 177.026 176.870 -0.275 0.000 1.013 106 L CA -0.475 54.111 54.840 -0.424 0.000 0.819 106 L CB 1.160 43.118 42.059 -0.168 0.000 1.227 106 L HN 0.458 nan 8.230 nan 0.000 0.417 107 E N 0.857 120.871 120.200 -0.311 0.000 2.280 107 E HA 0.304 4.654 4.350 -0.001 0.000 0.261 107 E C -0.502 176.152 176.600 0.089 0.000 1.088 107 E CA -0.565 55.830 56.400 -0.009 0.000 0.915 107 E CB 0.621 30.372 29.700 0.084 0.000 1.141 107 E HN 0.467 nan 8.360 nan 0.000 0.433 108 Q N 0.201 120.021 119.800 0.034 0.000 2.269 108 Q HA 0.173 4.513 4.340 -0.001 0.000 0.300 108 Q C 0.509 176.500 176.000 -0.014 0.000 1.070 108 Q CA 1.295 57.096 55.803 -0.003 0.000 0.957 108 Q CB -0.251 28.477 28.738 -0.017 0.000 1.131 108 Q HN 0.712 nan 8.270 nan 0.000 0.377 109 G N 2.746 111.505 108.800 -0.069 0.000 2.259 109 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 109 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 109 G C -0.331 174.477 174.900 -0.153 0.000 1.001 109 G CA 0.050 45.080 45.100 -0.116 0.000 0.627 109 G HN 0.779 nan 8.290 nan 0.000 0.501 110 H N 1.529 120.496 119.070 -0.172 0.000 2.897 110 H HA 0.568 5.123 4.556 -0.001 0.000 0.347 110 H C 0.677 175.819 175.328 -0.310 0.000 1.068 110 H CA 1.605 57.522 56.048 -0.219 0.000 1.426 110 H CB 1.191 30.852 29.762 -0.169 0.000 1.410 110 H HN 0.770 nan 8.280 nan 0.000 0.597 111 A N 2.593 125.154 122.820 -0.431 0.000 2.454 111 A HA 0.632 4.951 4.320 -0.001 0.000 0.302 111 A C -1.122 176.059 177.584 -0.671 0.000 1.079 111 A CA -0.685 51.039 52.037 -0.522 0.000 0.731 111 A CB 1.960 20.622 19.000 -0.564 0.000 1.299 111 A HN 0.590 nan 8.150 nan 0.000 0.413 112 Q N 0.671 120.266 119.800 -0.342 0.000 2.327 112 Q HA 0.374 4.714 4.340 -0.001 0.000 0.265 112 Q C -1.371 174.598 176.000 -0.051 0.000 0.993 112 Q CA -0.350 55.336 55.803 -0.194 0.000 0.885 112 Q CB 1.517 30.147 28.738 -0.180 0.000 1.379 112 Q HN 0.744 nan 8.270 nan 0.000 0.408 113 K N 4.633 125.064 120.400 0.052 0.000 2.258 113 K HA 0.449 4.768 4.320 -0.001 0.000 0.284 113 K C -0.832 175.760 176.600 -0.013 0.000 1.051 113 K CA -0.306 56.016 56.287 0.058 0.000 0.923 113 K CB 0.498 33.062 32.500 0.107 0.000 1.046 113 K HN 0.749 nan 8.250 nan 0.000 0.474 114 I N 7.562 128.108 120.570 -0.040 0.000 2.359 114 I HA 0.236 4.405 4.170 -0.001 0.000 0.284 114 I C -2.141 173.930 176.117 -0.076 0.000 1.018 114 I CA -2.746 58.493 61.300 -0.102 0.000 1.173 114 I CB 1.483 39.337 38.000 -0.244 0.000 1.326 114 I HN 0.473 nan 8.210 nan 0.000 0.462 115 P HA -0.051 nan 4.420 nan 0.000 0.266 115 P C -0.154 177.087 177.300 -0.097 0.000 1.193 115 P CA -0.034 63.025 63.100 -0.069 0.000 0.770 115 P CB 0.558 32.232 31.700 -0.042 0.000 0.836 116 A N 2.947 125.686 122.820 -0.135 0.000 2.498 116 A HA 0.419 4.738 4.320 -0.001 0.000 0.239 116 A C 1.551 179.096 177.584 -0.065 0.000 1.068 116 A CA 0.688 52.628 52.037 -0.162 0.000 0.766 116 A CB -1.275 17.622 19.000 -0.172 0.000 1.003 116 A HN 0.889 nan 8.150 nan 0.000 0.497 117 G N 1.743 110.546 108.800 0.006 0.000 2.159 117 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.256 117 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.256 117 G C 0.376 175.287 174.900 0.019 0.000 0.977 117 G CA 0.569 45.705 45.100 0.060 0.000 0.652 117 G HN 1.235 nan 8.290 nan 0.000 0.531 118 T N 2.361 116.955 114.554 0.066 0.000 2.737 118 T HA 0.481 4.830 4.350 -0.001 0.000 0.296 118 T C 0.701 175.522 174.700 0.201 0.000 0.922 118 T CA 0.461 62.606 62.100 0.076 0.000 1.079 118 T CB 1.171 70.065 68.868 0.044 0.000 0.892 118 T HN 0.234 nan 8.240 nan 0.000 0.514 119 T N 5.384 120.017 114.554 0.131 0.000 2.916 119 T HA 0.428 4.777 4.350 -0.001 0.000 0.303 119 T C -0.220 174.609 174.700 0.214 0.000 1.025 119 T CA 0.148 62.345 62.100 0.161 0.000 1.142 119 T CB -0.363 68.582 68.868 0.128 0.000 0.947 119 T HN 0.544 nan 8.240 nan 0.000 0.544 120 F N 1.864 121.761 119.950 -0.087 0.000 2.713 120 F HA 0.786 5.313 4.527 -0.001 0.000 0.311 120 F C -1.713 174.086 175.800 -0.000 0.000 1.141 120 F CA -2.304 55.619 58.000 -0.129 0.000 0.939 120 F CB 1.090 39.979 39.000 -0.186 0.000 1.325 120 F HN 0.502 nan 8.300 nan 0.000 0.453 121 F N 0.937 120.928 119.950 0.068 0.000 2.629 121 F HA 0.907 5.434 4.527 -0.001 0.000 0.316 121 F C -2.267 173.614 175.800 0.135 0.000 1.081 121 F CA -1.538 56.464 58.000 0.003 0.000 0.954 121 F CB 1.648 40.660 39.000 0.021 0.000 1.337 121 F HN 0.661 nan 8.300 nan 0.000 0.474 122 L N 2.058 123.471 121.223 0.317 0.000 2.408 122 L HA 0.848 5.188 4.340 -0.001 0.000 0.268 122 L C -1.377 175.634 176.870 0.234 0.000 0.986 122 L CA -0.811 54.153 54.840 0.206 0.000 0.820 122 L CB 2.259 44.365 42.059 0.077 0.000 1.303 122 L HN 0.672 nan 8.230 nan 0.000 0.411 123 V N 3.416 123.447 119.914 0.195 0.000 2.823 123 V HA 0.479 4.598 4.120 -0.001 0.000 0.312 123 V C -0.441 175.730 176.094 0.127 0.000 1.072 123 V CA -0.816 61.582 62.300 0.163 0.000 0.937 123 V CB 2.071 33.981 31.823 0.145 0.000 1.013 123 V HN 0.811 nan 8.190 nan 0.000 0.430 124 N N 4.944 123.708 118.700 0.107 0.000 2.707 124 N HA 0.299 5.039 4.740 -0.001 0.000 0.235 124 N C -1.784 173.749 175.510 0.038 0.000 1.028 124 N CA -1.741 51.354 53.050 0.076 0.000 0.906 124 N CB 1.876 40.405 38.487 0.070 0.000 1.131 124 N HN 0.422 nan 8.380 nan 0.000 0.509 125 P HA -0.060 nan 4.420 nan 0.000 0.230 125 P C -0.103 177.199 177.300 0.003 0.000 1.158 125 P CA 0.545 63.652 63.100 0.012 0.000 0.769 125 P CB 0.185 31.892 31.700 0.011 0.000 0.807 126 D N 0.273 120.676 120.400 0.005 0.000 2.414 126 D HA -0.026 4.613 4.640 -0.001 0.000 0.242 126 D C 0.923 177.221 176.300 -0.004 0.000 1.129 126 D CA 0.282 54.282 54.000 -0.000 0.000 0.885 126 D CB 0.410 41.210 40.800 0.000 0.000 1.198 126 D HN -0.185 nan 8.370 nan 0.000 0.437 127 D N 1.364 121.760 120.400 -0.005 0.000 2.348 127 D HA 0.048 4.688 4.640 -0.001 0.000 0.211 127 D C 0.458 176.755 176.300 -0.004 0.000 0.998 127 D CA 0.638 54.634 54.000 -0.007 0.000 0.873 127 D CB 0.354 41.150 40.800 -0.007 0.000 0.925 127 D HN 0.298 nan 8.370 nan 0.000 0.524 128 N N -0.678 118.020 118.700 -0.004 0.000 2.218 128 N HA 0.028 4.767 4.740 -0.001 0.000 0.224 128 N C -0.452 175.055 175.510 -0.004 0.000 1.248 128 N CA 0.031 53.079 53.050 -0.003 0.000 0.875 128 N CB 0.897 39.383 38.487 -0.002 0.000 1.165 128 N HN 0.065 nan 8.380 nan 0.000 0.485 129 E N 1.520 121.717 120.200 -0.005 0.000 2.214 129 E HA 0.299 4.648 4.350 -0.001 0.000 0.274 129 E C -0.344 176.248 176.600 -0.014 0.000 0.977 129 E CA -0.340 56.055 56.400 -0.009 0.000 0.827 129 E CB 1.469 31.165 29.700 -0.006 0.000 1.130 129 E HN 0.123 nan 8.360 nan 0.000 0.394 130 N N 0.650 119.335 118.700 -0.024 0.000 2.467 130 N HA 0.204 4.944 4.740 -0.001 0.000 0.262 130 N C -0.601 174.885 175.510 -0.039 0.000 1.234 130 N CA -0.505 52.518 53.050 -0.045 0.000 0.952 130 N CB 0.600 39.047 38.487 -0.066 0.000 1.158 130 N HN 0.141 nan 8.380 nan 0.000 0.463 131 L N 1.515 122.706 121.223 -0.053 0.000 2.305 131 L HA 0.420 4.759 4.340 -0.001 0.000 0.284 131 L C -0.830 176.010 176.870 -0.050 0.000 1.013 131 L CA -0.301 54.532 54.840 -0.013 0.000 0.819 131 L CB 0.831 42.928 42.059 0.063 0.000 1.227 131 L HN 0.429 nan 8.230 nan 0.000 0.417 132 R N 5.900 126.392 120.500 -0.014 0.000 2.393 132 R HA 0.698 5.037 4.340 -0.001 0.000 0.315 132 R C -1.146 175.184 176.300 0.050 0.000 0.952 132 R CA -0.526 55.567 56.100 -0.012 0.000 0.842 132 R CB 1.723 32.010 30.300 -0.022 0.000 1.163 132 R HN 0.650 nan 8.270 nan 0.000 0.450 133 I N 3.219 123.866 120.570 0.129 0.000 2.689 133 I HA 0.415 4.584 4.170 -0.001 0.000 0.299 133 I C -0.955 175.247 176.117 0.141 0.000 1.059 133 I CA -1.194 60.186 61.300 0.133 0.000 1.055 133 I CB 2.290 40.422 38.000 0.219 0.000 1.243 133 I HN 0.434 nan 8.210 nan 0.000 0.425 134 I N 5.990 126.618 120.570 0.096 0.000 2.433 134 I HA 0.418 4.588 4.170 -0.001 0.000 0.292 134 I C -0.929 175.336 176.117 0.247 0.000 1.001 134 I CA -0.195 61.225 61.300 0.200 0.000 1.119 134 I CB 1.176 39.301 38.000 0.209 0.000 1.289 134 I HN 0.427 nan 8.210 nan 0.000 0.438 135 K N 6.707 127.255 120.400 0.246 0.000 2.471 135 K HA 0.466 4.786 4.320 -0.001 0.000 0.252 135 K C -1.779 174.873 176.600 0.088 0.000 0.938 135 K CA -0.854 55.519 56.287 0.142 0.000 0.796 135 K CB 1.724 34.194 32.500 -0.050 0.000 1.161 135 K HN 0.598 nan 8.250 nan 0.000 0.425 136 L N 3.406 124.564 121.223 -0.107 0.000 2.276 136 L HA 0.549 4.889 4.340 -0.001 0.000 0.286 136 L C -0.962 175.954 176.870 0.076 0.000 1.061 136 L CA 0.213 54.904 54.840 -0.248 0.000 0.807 136 L CB 1.205 42.768 42.059 -0.828 0.000 1.177 136 L HN 0.712 nan 8.230 nan 0.000 0.429 137 A N 5.662 128.578 122.820 0.160 0.000 2.365 137 A HA 0.807 5.127 4.320 -0.001 0.000 0.318 137 A C -1.043 176.531 177.584 -0.016 0.000 1.091 137 A CA -0.465 51.630 52.037 0.097 0.000 0.763 137 A CB 0.912 19.963 19.000 0.085 0.000 1.248 137 A HN 0.589 nan 8.150 nan 0.000 0.442 138 I N 3.182 123.642 120.570 -0.183 0.000 2.464 138 I HA 0.316 4.486 4.170 -0.001 0.000 0.277 138 I C -2.481 173.503 176.117 -0.221 0.000 1.040 138 I CA -1.672 59.489 61.300 -0.233 0.000 1.153 138 I CB 1.626 39.477 38.000 -0.249 0.000 1.274 138 I HN 0.327 nan 8.210 nan 0.000 0.469 139 P HA 0.065 nan 4.420 nan 0.000 0.267 139 P C 0.749 178.009 177.300 -0.067 0.000 1.200 139 P CA 0.032 63.112 63.100 -0.033 0.000 0.772 139 P CB 1.133 32.898 31.700 0.109 0.000 0.855 140 V N 2.279 122.167 119.914 -0.043 0.000 2.521 140 V HA -0.061 4.059 4.120 -0.001 0.000 0.239 140 V C 1.811 177.889 176.094 -0.026 0.000 1.053 140 V CA 1.398 63.669 62.300 -0.048 0.000 1.073 140 V CB -0.655 31.139 31.823 -0.048 0.000 0.746 140 V HN 0.511 nan 8.190 nan 0.000 0.476 141 N N 0.533 119.236 118.700 0.005 0.000 2.207 141 N HA -0.019 4.720 4.740 -0.001 0.000 0.182 141 N C 0.804 176.305 175.510 -0.015 0.000 1.020 141 N CA 0.766 53.819 53.050 0.005 0.000 0.858 141 N CB -0.032 38.477 38.487 0.035 0.000 0.991 141 N HN 0.379 nan 8.380 nan 0.000 0.427 142 N N 0.707 119.401 118.700 -0.011 0.000 2.314 142 N HA 0.169 4.909 4.740 -0.001 0.000 0.294 142 N C -2.153 173.309 175.510 -0.080 0.000 1.029 142 N CA -1.720 51.297 53.050 -0.055 0.000 0.845 142 N CB 2.684 41.156 38.487 -0.025 0.000 1.321 142 N HN -0.137 nan 8.380 nan 0.000 0.481 143 P HA -0.088 nan 4.420 nan 0.000 0.225 143 P C 0.218 177.492 177.300 -0.042 0.000 1.148 143 P CA 1.384 64.372 63.100 -0.187 0.000 0.779 143 P CB 0.205 31.726 31.700 -0.299 0.000 0.780 144 H N -1.014 118.073 119.070 0.029 0.000 2.648 144 H HA 0.234 4.790 4.556 -0.001 0.000 0.265 144 H C 0.962 176.325 175.328 0.059 0.000 0.961 144 H CA -0.430 55.642 56.048 0.041 0.000 1.185 144 H CB 0.473 30.248 29.762 0.022 0.000 1.449 144 H HN 0.175 nan 8.280 nan 0.000 0.523 145 R N 0.257 120.859 120.500 0.170 0.000 2.712 145 R HA 0.343 4.683 4.340 -0.001 0.000 0.272 145 R C -1.795 174.611 176.300 0.177 0.000 1.032 145 R CA -0.961 55.215 56.100 0.126 0.000 0.874 145 R CB 1.309 31.610 30.300 0.002 0.000 1.256 145 R HN 0.018 nan 8.270 nan 0.000 0.468 146 F N -1.385 118.610 119.950 0.076 0.000 2.640 146 F HA 0.597 5.124 4.527 -0.001 0.000 0.324 146 F C -1.061 174.794 175.800 0.090 0.000 1.077 146 F CA -1.290 56.755 58.000 0.075 0.000 0.965 146 F CB 1.734 40.775 39.000 0.068 0.000 1.351 146 F HN 0.348 nan 8.300 nan 0.000 0.487 147 Q N 0.764 120.708 119.800 0.241 0.000 2.342 147 Q HA 0.312 4.652 4.340 -0.001 0.000 0.267 147 Q C -1.735 174.400 176.000 0.225 0.000 1.038 147 Q CA -0.961 54.866 55.803 0.040 0.000 0.832 147 Q CB 2.577 31.230 28.738 -0.141 0.000 1.323 147 Q HN 0.552 nan 8.270 nan 0.000 0.448 148 D N 1.941 122.416 120.400 0.124 0.000 2.317 148 D HA 0.277 4.917 4.640 -0.001 0.000 0.234 148 D C -1.134 175.201 176.300 0.058 0.000 1.112 148 D CA -0.067 54.086 54.000 0.254 0.000 0.840 148 D CB 0.455 41.480 40.800 0.375 0.000 1.078 148 D HN 0.240 nan 8.370 nan 0.000 0.486 149 F N 2.929 122.841 119.950 -0.063 0.000 2.361 149 F HA 0.320 4.846 4.527 -0.001 0.000 0.364 149 F C 0.181 176.100 175.800 0.198 0.000 1.120 149 F CA -0.738 57.277 58.000 0.026 0.000 1.102 149 F CB 0.433 39.198 39.000 -0.392 0.000 1.183 149 F HN 0.152 nan 8.300 nan 0.000 0.476 150 F N 4.165 124.342 119.950 0.378 0.000 2.411 150 F HA 0.215 4.741 4.527 -0.001 0.000 0.355 150 F C 1.000 176.898 175.800 0.164 0.000 1.117 150 F CA -0.597 57.564 58.000 0.268 0.000 1.139 150 F CB 1.297 40.331 39.000 0.057 0.000 1.120 150 F HN 0.368 nan 8.300 nan 0.000 0.493 151 L N 2.786 124.125 121.223 0.194 0.000 2.291 151 L HA 0.018 4.357 4.340 -0.001 0.000 0.214 151 L C 1.268 178.091 176.870 -0.078 0.000 1.120 151 L CA 0.759 55.450 54.840 -0.248 0.000 0.799 151 L CB -0.735 41.309 42.059 -0.024 0.000 0.925 151 L HN 0.542 nan 8.230 nan 0.000 0.446 152 S N -1.507 114.248 115.700 0.091 0.000 2.614 152 S HA 0.313 4.783 4.470 -0.001 0.000 0.265 152 S C 0.314 174.954 174.600 0.067 0.000 1.303 152 S CA -0.199 58.045 58.200 0.073 0.000 1.000 152 S CB 1.073 64.331 63.200 0.096 0.000 0.935 152 S HN 0.287 nan 8.310 nan 0.000 0.551 153 S N 1.197 116.930 115.700 0.056 0.000 2.640 153 S HA 0.625 5.094 4.470 -0.001 0.000 0.320 153 S C -0.345 174.273 174.600 0.030 0.000 1.097 153 S CA -0.445 57.796 58.200 0.069 0.000 1.092 153 S CB -0.131 63.153 63.200 0.141 0.000 0.988 153 S HN 1.097 nan 8.310 nan 0.000 0.470 154 T N 1.402 115.959 114.554 0.006 0.000 2.888 154 T HA 0.508 4.857 4.350 -0.001 0.000 0.288 154 T C 0.755 175.457 174.700 0.003 0.000 1.063 154 T CA -0.818 61.279 62.100 -0.005 0.000 1.010 154 T CB 1.098 69.941 68.868 -0.041 0.000 1.214 154 T HN 0.464 nan 8.240 nan 0.000 0.533 155 E N 0.118 120.326 120.200 0.013 0.000 2.204 155 E HA -0.050 4.299 4.350 -0.001 0.000 0.195 155 E C 2.111 178.720 176.600 0.016 0.000 0.990 155 E CA 1.017 57.426 56.400 0.016 0.000 0.821 155 E CB -0.237 29.476 29.700 0.021 0.000 0.750 155 E HN 0.724 nan 8.360 nan 0.000 0.477 156 A N 0.899 123.731 122.820 0.021 0.000 2.021 156 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 156 A C 0.813 178.388 177.584 -0.014 0.000 1.163 156 A CA 0.625 52.683 52.037 0.035 0.000 0.676 156 A CB 0.092 19.171 19.000 0.132 0.000 0.818 156 A HN 0.225 nan 8.150 nan 0.000 0.453 157 Q N -1.359 118.413 119.800 -0.045 0.000 2.391 157 Q HA 0.534 4.874 4.340 -0.001 0.000 0.279 157 Q C -1.308 174.684 176.000 -0.013 0.000 1.028 157 Q CA -0.652 55.124 55.803 -0.045 0.000 0.836 157 Q CB 0.544 29.219 28.738 -0.105 0.000 1.414 157 Q HN 0.310 nan 8.270 nan 0.000 0.397 158 Q N 0.735 120.534 119.800 -0.001 0.000 2.299 158 Q HA 0.469 4.808 4.340 -0.001 0.000 0.246 158 Q C -0.384 175.640 176.000 0.040 0.000 0.935 158 Q CA -0.571 55.230 55.803 -0.002 0.000 0.887 158 Q CB 1.567 30.281 28.738 -0.040 0.000 1.223 158 Q HN 0.729 nan 8.270 nan 0.000 0.439 159 S N 0.839 116.565 115.700 0.044 0.000 2.576 159 S HA 0.005 4.474 4.470 -0.001 0.000 0.276 159 S C 0.688 175.331 174.600 0.071 0.000 1.339 159 S CA -0.378 57.847 58.200 0.042 0.000 1.039 159 S CB 0.286 63.559 63.200 0.123 0.000 0.902 159 S HN 0.601 nan 8.310 nan 0.000 0.516 160 Y N 3.479 123.928 120.300 0.248 0.000 2.497 160 Y HA 0.120 4.670 4.550 -0.001 0.000 0.292 160 Y C 1.431 177.462 175.900 0.218 0.000 1.137 160 Y CA 0.518 58.755 58.100 0.229 0.000 1.285 160 Y CB -0.822 37.863 38.460 0.374 0.000 0.991 160 Y HN 0.539 nan 8.280 nan 0.000 0.556 161 L N 0.083 121.514 121.223 0.346 0.000 2.275 161 L HA -0.115 4.225 4.340 -0.001 0.000 0.215 161 L C 2.520 179.672 176.870 0.469 0.000 1.119 161 L CA 1.105 56.301 54.840 0.594 0.000 0.790 161 L CB -0.359 42.049 42.059 0.583 0.000 0.919 161 L HN 0.137 nan 8.230 nan 0.000 0.443 162 R N 0.684 121.223 120.500 0.065 0.000 2.285 162 R HA -0.058 4.281 4.340 -0.001 0.000 0.213 162 R C 2.007 178.259 176.300 -0.080 0.000 1.068 162 R CA 0.943 56.862 56.100 -0.302 0.000 1.004 162 R CB -0.547 29.426 30.300 -0.544 0.000 0.873 162 R HN 0.258 nan 8.270 nan 0.000 0.467 163 G N -1.249 107.516 108.800 -0.057 0.000 2.598 163 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.215 163 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.215 163 G C 0.057 174.818 174.900 -0.232 0.000 1.131 163 G CA -0.080 44.913 45.100 -0.178 0.000 0.785 163 G HN 0.172 nan 8.290 nan 0.000 0.539 164 F N 1.424 121.468 119.950 0.157 0.000 2.379 164 F HA 0.402 4.929 4.527 -0.001 0.000 0.332 164 F C 1.298 177.184 175.800 0.144 0.000 1.096 164 F CA -0.918 57.176 58.000 0.157 0.000 1.105 164 F CB 1.312 40.434 39.000 0.203 0.000 1.189 164 F HN -0.020 nan 8.300 nan 0.000 0.515 165 S N 1.555 117.439 115.700 0.306 0.000 2.589 165 S HA 0.070 4.539 4.470 -0.001 0.000 0.265 165 S C 1.228 175.942 174.600 0.189 0.000 1.342 165 S CA -0.621 57.682 58.200 0.172 0.000 1.005 165 S CB 0.967 64.238 63.200 0.119 0.000 0.909 165 S HN 0.852 nan 8.310 nan 0.000 0.555 166 K N 1.351 121.780 120.400 0.049 0.000 2.032 166 K HA -0.228 4.091 4.320 -0.001 0.000 0.209 166 K C 1.579 178.261 176.600 0.137 0.000 1.048 166 K CA 1.960 58.249 56.287 0.003 0.000 0.927 166 K CB -0.459 31.854 32.500 -0.311 0.000 0.712 166 K HN 0.634 nan 8.250 nan 0.000 0.441 167 N N 0.977 119.728 118.700 0.085 0.000 2.104 167 N HA -0.145 4.594 4.740 -0.001 0.000 0.190 167 N C 1.754 177.334 175.510 0.116 0.000 1.024 167 N CA 1.229 54.334 53.050 0.092 0.000 0.853 167 N CB -0.225 38.297 38.487 0.059 0.000 1.008 167 N HN 0.218 nan 8.380 nan 0.000 0.424 168 I N 1.023 121.672 120.570 0.132 0.000 2.179 168 I HA -0.192 3.977 4.170 -0.001 0.000 0.242 168 I C 2.215 178.409 176.117 0.130 0.000 1.088 168 I CA 0.849 62.212 61.300 0.106 0.000 1.357 168 I CB -1.192 36.887 38.000 0.132 0.000 1.051 168 I HN 0.132 nan 8.210 nan 0.000 0.409 169 L N 0.252 121.633 121.223 0.264 0.000 2.012 169 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 169 L C 2.543 179.640 176.870 0.377 0.000 1.073 169 L CA 1.480 56.558 54.840 0.397 0.000 0.748 169 L CB -0.568 41.828 42.059 0.562 0.000 0.891 169 L HN 0.285 nan 8.230 nan 0.000 0.431 170 E N -0.118 120.262 120.200 0.301 0.000 2.110 170 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 170 E C 2.223 178.918 176.600 0.158 0.000 0.988 170 E CA 1.168 57.707 56.400 0.232 0.000 0.804 170 E CB -0.117 29.703 29.700 0.200 0.000 0.745 170 E HN 0.503 nan 8.360 nan 0.000 0.458 171 A N 0.501 123.387 122.820 0.109 0.000 2.016 171 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 171 A C 2.246 179.830 177.584 0.000 0.000 1.162 171 A CA 1.015 53.081 52.037 0.049 0.000 0.662 171 A CB -0.059 18.958 19.000 0.028 0.000 0.812 171 A HN 0.070 nan 8.150 nan 0.000 0.450 172 S N -0.934 114.750 115.700 -0.026 0.000 2.371 172 S HA 0.013 4.483 4.470 -0.001 0.000 0.224 172 S C 1.167 175.592 174.600 -0.292 0.000 1.029 172 S CA 1.052 59.128 58.200 -0.207 0.000 0.978 172 S CB -0.371 62.628 63.200 -0.335 0.000 0.833 172 S HN 0.563 nan 8.310 nan 0.000 0.466 173 F N 1.343 121.288 119.950 -0.009 0.000 2.727 173 F HA 0.244 4.771 4.527 -0.001 0.000 0.302 173 F C 0.630 176.422 175.800 -0.013 0.000 1.097 173 F CA -0.222 57.767 58.000 -0.017 0.000 1.330 173 F CB -0.098 38.885 39.000 -0.028 0.000 1.084 173 F HN 0.016 nan 8.300 nan 0.000 0.578 174 D N 1.223 121.698 120.400 0.126 0.000 2.697 174 D HA -0.229 4.411 4.640 -0.001 0.000 0.235 174 D C -0.221 176.133 176.300 0.091 0.000 1.167 174 D CA 0.899 54.947 54.000 0.082 0.000 0.656 174 D CB -0.876 39.952 40.800 0.046 0.000 1.025 174 D HN 0.231 nan 8.370 nan 0.000 0.419 175 S N -0.218 115.549 115.700 0.111 0.000 2.588 175 S HA 0.489 4.959 4.470 -0.001 0.000 0.269 175 S C -1.398 173.249 174.600 0.079 0.000 1.157 175 S CA -0.293 57.950 58.200 0.072 0.000 0.824 175 S CB 1.162 64.388 63.200 0.042 0.000 1.126 175 S HN 0.331 nan 8.310 nan 0.000 0.464 176 D N 0.668 121.100 120.400 0.053 0.000 2.372 176 D HA 0.197 4.836 4.640 -0.001 0.000 0.243 176 D C 0.843 177.197 176.300 0.091 0.000 1.121 176 D CA -0.497 53.555 54.000 0.086 0.000 0.898 176 D CB 0.233 41.071 40.800 0.063 0.000 1.202 176 D HN 0.394 nan 8.370 nan 0.000 0.428 177 F N 1.021 120.991 119.950 0.033 0.000 2.269 177 F HA -0.079 4.448 4.527 -0.001 0.000 0.301 177 F C 2.126 177.935 175.800 0.016 0.000 1.082 177 F CA 1.150 59.175 58.000 0.041 0.000 1.360 177 F CB 0.027 39.074 39.000 0.077 0.000 1.041 177 F HN 0.408 nan 8.300 nan 0.000 0.512 178 K N 0.515 120.953 120.400 0.063 0.000 2.057 178 K HA -0.239 4.080 4.320 -0.001 0.000 0.206 178 K C 2.232 178.744 176.600 -0.147 0.000 1.050 178 K CA 1.742 58.021 56.287 -0.013 0.000 0.935 178 K CB -0.311 32.218 32.500 0.048 0.000 0.715 178 K HN 0.452 nan 8.250 nan 0.000 0.439 179 E N 0.530 120.643 120.200 -0.145 0.000 2.072 179 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 179 E C 1.958 178.367 176.600 -0.318 0.000 0.985 179 E CA 1.122 57.413 56.400 -0.180 0.000 0.801 179 E CB -0.048 29.575 29.700 -0.129 0.000 0.750 179 E HN 0.346 nan 8.360 nan 0.000 0.452 180 I N 1.429 121.745 120.570 -0.423 0.000 2.163 180 I HA -0.293 3.876 4.170 -0.001 0.000 0.243 180 I C 2.533 178.143 176.117 -0.844 0.000 1.085 180 I CA 1.467 62.370 61.300 -0.663 0.000 1.347 180 I CB -0.489 37.122 38.000 -0.650 0.000 1.044 180 I HN 0.211 nan 8.210 nan 0.000 0.408 181 N N 1.129 119.341 118.700 -0.815 0.000 2.142 181 N HA -0.224 4.515 4.740 -0.001 0.000 0.186 181 N C 2.011 177.330 175.510 -0.318 0.000 1.023 181 N CA 1.351 54.078 53.050 -0.538 0.000 0.852 181 N CB -0.170 38.085 38.487 -0.387 0.000 0.998 181 N HN 0.139 nan 8.380 nan 0.000 0.424 182 R N -0.097 120.240 120.500 -0.272 0.000 2.073 182 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 182 R C 1.626 177.806 176.300 -0.201 0.000 1.134 182 R CA 1.623 57.618 56.100 -0.174 0.000 0.952 182 R CB -0.304 29.913 30.300 -0.138 0.000 0.850 182 R HN 0.157 nan 8.270 nan 0.000 0.433 183 V N 0.810 120.554 119.914 -0.283 0.000 2.407 183 V HA -0.138 3.981 4.120 -0.001 0.000 0.245 183 V C 2.163 178.065 176.094 -0.320 0.000 1.041 183 V CA 1.356 63.492 62.300 -0.273 0.000 1.040 183 V CB -0.127 31.526 31.823 -0.284 0.000 0.671 183 V HN 0.316 nan 8.190 nan 0.000 0.455 184 L N -2.292 118.616 121.223 -0.525 0.000 2.425 184 L HA 0.189 4.529 4.340 -0.001 0.000 0.215 184 L C 2.132 178.796 176.870 -0.343 0.000 1.065 184 L CA 0.963 55.465 54.840 -0.563 0.000 0.842 184 L CB -0.203 41.293 42.059 -0.939 0.000 1.033 184 L HN 0.259 nan 8.230 nan 0.000 0.474 185 F N -0.093 119.774 119.950 -0.138 0.000 2.419 185 F HA 0.290 4.816 4.527 -0.001 0.000 0.283 185 F C 1.714 177.478 175.800 -0.061 0.000 1.044 185 F CA 0.330 58.280 58.000 -0.083 0.000 1.376 185 F CB -0.212 38.746 39.000 -0.069 0.000 1.131 185 F HN 0.097 nan 8.300 nan 0.000 0.585 186 G N 1.764 110.615 108.800 0.085 0.000 2.272 186 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.280 186 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.280 186 G C 0.042 174.985 174.900 0.072 0.000 1.067 186 G CA 0.404 45.529 45.100 0.042 0.000 0.902 186 G HN 0.511 nan 8.290 nan 0.000 0.500 187 E N 0.073 120.339 120.200 0.110 0.000 3.659 187 E HA 0.286 4.636 4.350 -0.001 0.000 0.217 187 E C 0.761 177.420 176.600 0.099 0.000 1.141 187 E CA -0.431 56.029 56.400 0.099 0.000 1.340 187 E CB 0.081 29.849 29.700 0.114 0.000 1.295 187 E HN 0.664 nan 8.360 nan 0.000 0.434 197 S N 1.974 117.664 115.700 -0.017 0.000 2.568 197 S HA 0.808 5.277 4.470 -0.001 0.000 0.302 197 S C 0.182 174.778 174.600 -0.008 0.000 1.082 197 S CA -1.081 57.114 58.200 -0.008 0.000 1.009 197 S CB 2.336 65.534 63.200 -0.002 0.000 1.069 197 S HN 0.473 nan 8.310 nan 0.000 0.500 198 R N 1.009 121.509 120.500 0.000 0.000 2.596 198 R HA 0.495 4.834 4.340 -0.001 0.000 0.267 198 R C -0.573 175.733 176.300 0.009 0.000 1.026 198 R CA -0.704 55.397 56.100 0.002 0.000 1.087 198 R CB 0.358 30.665 30.300 0.011 0.000 1.132 198 R HN 0.629 nan 8.270 nan 0.000 0.531 199 E N 1.307 121.513 120.200 0.009 0.000 2.410 199 E HA -0.035 4.314 4.350 -0.001 0.000 0.255 199 E C 0.752 177.374 176.600 0.036 0.000 1.194 199 E CA 0.102 56.518 56.400 0.026 0.000 0.955 199 E CB 0.669 30.381 29.700 0.021 0.000 0.988 199 E HN 0.603 nan 8.360 nan 0.000 0.461 200 E N -0.014 120.224 120.200 0.064 0.000 2.076 200 E HA 0.029 4.379 4.350 -0.001 0.000 0.190 200 E C 0.879 177.535 176.600 0.093 0.000 0.979 200 E CA 0.667 57.108 56.400 0.069 0.000 0.807 200 E CB 0.230 29.974 29.700 0.074 0.000 0.761 200 E HN 0.525 nan 8.360 nan 0.000 0.454 201 G N -0.242 108.633 108.800 0.124 0.000 3.022 201 G HA2 0.309 4.268 3.960 -0.001 0.000 0.284 201 G HA3 0.309 4.268 3.960 -0.001 0.000 0.284 201 G C 0.471 175.284 174.900 -0.145 0.000 1.375 201 G CA -0.146 45.026 45.100 0.120 0.000 0.902 201 G HN 0.050 nan 8.290 nan 0.000 0.538 202 V N -2.106 117.450 119.914 -0.597 0.000 3.461 202 V HA 0.417 4.537 4.120 -0.001 0.000 0.267 202 V C 0.613 176.540 176.094 -0.277 0.000 1.186 202 V CA 0.471 62.406 62.300 -0.609 0.000 1.154 202 V CB -1.032 30.033 31.823 -1.263 0.000 0.802 202 V HN 0.361 nan 8.190 nan 0.000 0.474 203 I N 2.411 122.902 120.570 -0.132 0.000 2.410 203 I HA 0.581 4.750 4.170 -0.001 0.000 0.286 203 I C -0.426 175.812 176.117 0.202 0.000 1.009 203 I CA -0.818 60.553 61.300 0.119 0.000 1.111 203 I CB 1.821 39.993 38.000 0.287 0.000 1.262 203 I HN 0.132 nan 8.210 nan 0.000 0.443 204 V N 1.984 121.934 119.914 0.060 0.000 3.113 204 V HA 0.619 4.739 4.120 -0.001 0.000 0.316 204 V C -0.571 175.307 176.094 -0.360 0.000 1.125 204 V CA -0.772 61.492 62.300 -0.060 0.000 1.026 204 V CB 2.058 33.859 31.823 -0.037 0.000 1.080 204 V HN 0.794 nan 8.190 nan 0.000 0.444 205 E N 0.949 120.788 120.200 -0.600 0.000 2.166 205 E HA 0.618 4.967 4.350 -0.001 0.000 0.275 205 E C -1.320 175.124 176.600 -0.259 0.000 0.941 205 E CA -0.701 55.357 56.400 -0.569 0.000 0.784 205 E CB 1.623 30.837 29.700 -0.809 0.000 1.115 205 E HN 0.746 nan 8.360 nan 0.000 0.399 206 L N 3.567 124.685 121.223 -0.175 0.000 2.352 206 L HA 0.442 4.781 4.340 -0.001 0.000 0.269 206 L C 0.168 176.985 176.870 -0.088 0.000 1.034 206 L CA -1.024 53.750 54.840 -0.110 0.000 0.806 206 L CB 1.425 43.434 42.059 -0.083 0.000 1.244 206 L HN 0.491 nan 8.230 nan 0.000 0.447 207 K N 0.759 121.119 120.400 -0.067 0.000 2.326 207 K HA 0.092 4.412 4.320 -0.001 0.000 0.275 207 K C 0.618 177.191 176.600 -0.046 0.000 1.018 207 K CA -0.459 55.797 56.287 -0.051 0.000 0.962 207 K CB 1.020 33.495 32.500 -0.042 0.000 0.953 207 K HN 0.328 nan 8.250 nan 0.000 0.475 208 R N 2.316 122.794 120.500 -0.037 0.000 2.133 208 R HA -0.235 4.104 4.340 -0.001 0.000 0.247 208 R C 1.806 178.087 176.300 -0.032 0.000 1.151 208 R CA 1.976 58.057 56.100 -0.032 0.000 0.971 208 R CB -0.193 30.093 30.300 -0.024 0.000 0.866 208 R HN 0.791 nan 8.270 nan 0.000 0.447 209 E N -0.271 119.910 120.200 -0.033 0.000 2.110 209 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 209 E C 1.779 178.352 176.600 -0.044 0.000 0.988 209 E CA 1.279 57.659 56.400 -0.034 0.000 0.804 209 E CB 0.018 29.700 29.700 -0.030 0.000 0.745 209 E HN 0.511 nan 8.360 nan 0.000 0.458 210 Q N 0.014 119.786 119.800 -0.048 0.000 2.084 210 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 210 Q C 2.244 178.210 176.000 -0.057 0.000 0.978 210 Q CA 1.190 56.958 55.803 -0.057 0.000 0.844 210 Q CB -0.024 28.678 28.738 -0.060 0.000 0.898 210 Q HN 0.393 nan 8.270 nan 0.000 0.426 211 I N 1.242 121.785 120.570 -0.045 0.000 2.335 211 I HA -0.269 3.901 4.170 -0.001 0.000 0.251 211 I C 2.216 178.308 176.117 -0.041 0.000 1.129 211 I CA 1.376 62.656 61.300 -0.033 0.000 1.402 211 I CB -1.158 36.827 38.000 -0.025 0.000 1.069 211 I HN 0.321 nan 8.210 nan 0.000 0.424 212 Q N 0.669 120.440 119.800 -0.048 0.000 2.020 212 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 212 Q C 2.078 178.022 176.000 -0.093 0.000 0.982 212 Q CA 1.176 56.947 55.803 -0.054 0.000 0.838 212 Q CB -0.403 28.309 28.738 -0.043 0.000 0.899 212 Q HN 0.511 nan 8.270 nan 0.000 0.423 213 E N 0.855 120.983 120.200 -0.120 0.000 2.058 213 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 213 E C 2.297 178.686 176.600 -0.352 0.000 0.997 213 E CA 0.821 57.088 56.400 -0.221 0.000 0.801 213 E CB -0.274 29.323 29.700 -0.172 0.000 0.746 213 E HN 0.348 nan 8.360 nan 0.000 0.450 214 L N -0.039 121.071 121.223 -0.189 0.000 2.141 214 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 214 L C 2.573 179.399 176.870 -0.074 0.000 1.094 214 L CA 0.730 55.503 54.840 -0.111 0.000 0.763 214 L CB -0.349 41.719 42.059 0.015 0.000 0.908 214 L HN 0.149 nan 8.230 nan 0.000 0.437 215 M N 1.050 120.612 119.600 -0.064 0.000 2.117 215 M HA -0.199 4.280 4.480 -0.001 0.000 0.262 215 M C 2.200 178.493 176.300 -0.011 0.000 1.065 215 M CA 1.793 57.078 55.300 -0.026 0.000 1.114 215 M CB -0.298 32.289 32.600 -0.022 0.000 1.361 215 M HN 0.161 nan 8.290 nan 0.000 0.408 216 K N -2.333 118.047 120.400 -0.034 0.000 2.365 216 K HA -0.125 4.195 4.320 -0.001 0.000 0.199 216 K C 1.331 178.037 176.600 0.176 0.000 1.045 216 K CA 1.542 57.856 56.287 0.046 0.000 0.962 216 K CB -0.689 31.839 32.500 0.047 0.000 0.759 216 K HN 0.577 nan 8.250 nan 0.000 0.469 217 H N 0.328 119.395 119.070 -0.006 0.000 2.547 217 H HA 0.237 4.793 4.556 -0.001 0.000 0.272 217 H C 0.709 176.009 175.328 -0.046 0.000 0.971 217 H CA -0.408 55.629 56.048 -0.019 0.000 1.245 217 H CB 0.445 30.202 29.762 -0.009 0.000 1.440 217 H HN 0.291 nan 8.280 nan 0.000 0.540 218 A N 1.656 124.523 122.820 0.078 0.000 2.406 218 A HA 0.194 4.513 4.320 -0.001 0.000 0.243 218 A C 0.010 177.597 177.584 0.005 0.000 1.082 218 A CA -0.117 51.919 52.037 -0.003 0.000 0.786 218 A CB 0.400 19.400 19.000 0.001 0.000 1.029 218 A HN 0.125 nan 8.150 nan 0.000 0.495 219 K N 1.767 122.169 120.400 0.002 0.000 2.450 219 K HA 0.341 4.660 4.320 -0.001 0.000 0.257 219 K C -0.460 176.208 176.600 0.114 0.000 0.953 219 K CA -0.267 56.059 56.287 0.066 0.000 0.844 219 K CB 1.488 34.041 32.500 0.089 0.000 1.103 219 K HN 0.748 nan 8.250 nan 0.000 0.429 220 S N 0.698 116.438 115.700 0.066 0.000 2.528 220 S HA 0.091 4.561 4.470 -0.001 0.000 0.277 220 S C 0.428 175.073 174.600 0.074 0.000 1.297 220 S CA -0.554 57.669 58.200 0.039 0.000 1.052 220 S CB 1.039 64.250 63.200 0.019 0.000 0.917 220 S HN 0.407 nan 8.310 nan 0.000 0.492 221 S N 3.213 118.962 115.700 0.082 0.000 2.457 221 S HA 0.339 4.808 4.470 -0.001 0.000 0.294 221 S C 0.485 175.172 174.600 0.145 0.000 1.201 221 S CA -0.497 57.798 58.200 0.158 0.000 1.112 221 S CB -1.024 62.377 63.200 0.335 0.000 1.018 221 S HN 0.955 nan 8.310 nan 0.000 0.511 228 S N 1.638 117.321 115.700 -0.028 0.000 2.576 228 S HA 0.180 4.649 4.470 -0.001 0.000 0.276 228 S C 1.298 175.884 174.600 -0.022 0.000 1.339 228 S CA -0.244 57.948 58.200 -0.014 0.000 1.039 228 S CB 0.967 64.171 63.200 0.007 0.000 0.902 228 S HN 0.667 nan 8.310 nan 0.000 0.516 229 Q N 2.028 121.818 119.800 -0.016 0.000 2.439 229 Q HA -0.113 4.226 4.340 -0.001 0.000 0.211 229 Q C 0.071 176.073 176.000 0.004 0.000 0.978 229 Q CA 1.613 57.408 55.803 -0.013 0.000 0.897 229 Q CB 0.070 28.803 28.738 -0.008 0.000 0.956 229 Q HN 0.746 nan 8.270 nan 0.000 0.483 230 D N -0.390 120.015 120.400 0.007 0.000 3.239 230 D HA 0.037 4.676 4.640 -0.001 0.000 0.265 230 D C -0.246 176.014 176.300 -0.067 0.000 1.442 230 D CA -0.125 53.876 54.000 0.002 0.000 1.178 230 D CB -0.018 40.803 40.800 0.035 0.000 1.198 230 D HN 0.204 nan 8.370 nan 0.000 0.366 231 E N 3.243 123.367 120.200 -0.126 0.000 2.604 231 E HA -0.009 4.341 4.350 -0.001 0.000 0.267 231 E C -2.206 174.297 176.600 -0.162 0.000 0.970 231 E CA -0.571 55.630 56.400 -0.332 0.000 0.956 231 E CB 0.136 29.741 29.700 -0.159 0.000 0.939 231 E HN 0.156 nan 8.360 nan 0.000 0.465 232 P HA -0.011 nan 4.420 nan 0.000 0.272 232 P C -0.953 176.408 177.300 0.102 0.000 1.223 232 P CA 0.234 63.271 63.100 -0.106 0.000 0.784 232 P CB 0.304 31.913 31.700 -0.151 0.000 0.923 233 F N -0.916 119.012 119.950 -0.036 0.000 2.577 233 F HA 0.610 5.136 4.527 -0.001 0.000 0.318 233 F C -0.432 175.182 175.800 -0.311 0.000 1.065 233 F CA -1.391 56.534 58.000 -0.124 0.000 0.929 233 F CB 1.154 40.111 39.000 -0.071 0.000 1.237 233 F HN 0.084 nan 8.300 nan 0.000 0.468 234 N N 3.278 121.786 118.700 -0.320 0.000 2.518 234 N HA 0.235 4.975 4.740 -0.001 0.000 0.254 234 N C 0.626 176.053 175.510 -0.138 0.000 0.979 234 N CA -0.563 52.212 53.050 -0.457 0.000 0.930 234 N CB 1.641 39.670 38.487 -0.763 0.000 1.152 234 N HN 1.026 nan 8.380 nan 0.000 0.505 235 L N 1.579 122.787 121.223 -0.026 0.000 2.265 235 L HA 0.083 4.422 4.340 -0.001 0.000 0.215 235 L C 1.747 178.550 176.870 -0.112 0.000 1.117 235 L CA 0.670 55.536 54.840 0.043 0.000 0.782 235 L CB -0.067 42.074 42.059 0.137 0.000 0.914 235 L HN 0.238 nan 8.230 nan 0.000 0.441 236 R N 2.280 122.598 120.500 -0.302 0.000 2.193 236 R HA -0.069 4.270 4.340 -0.001 0.000 0.229 236 R C 0.563 176.568 176.300 -0.492 0.000 1.110 236 R CA 1.410 57.102 56.100 -0.679 0.000 0.988 236 R CB -0.703 29.308 30.300 -0.481 0.000 0.871 236 R HN 0.816 nan 8.270 nan 0.000 0.458 237 N N 0.267 118.844 118.700 -0.205 0.000 2.839 237 N HA 0.051 4.790 4.740 -0.001 0.000 0.314 237 N C -0.849 174.666 175.510 0.008 0.000 1.449 237 N CA -0.236 52.768 53.050 -0.076 0.000 1.050 237 N CB 0.711 39.164 38.487 -0.056 0.000 1.364 237 N HN -0.090 nan 8.380 nan 0.000 0.512 238 S N -0.548 115.198 115.700 0.077 0.000 2.627 238 S HA 0.335 4.805 4.470 -0.001 0.000 0.283 238 S C -0.604 174.107 174.600 0.186 0.000 1.127 238 S CA -1.029 57.237 58.200 0.110 0.000 0.863 238 S CB 2.375 65.637 63.200 0.104 0.000 1.121 238 S HN 0.282 nan 8.310 nan 0.000 0.479 239 K N 1.340 121.801 120.400 0.102 0.000 2.379 239 K HA 0.307 4.626 4.320 -0.001 0.000 0.284 239 K C -2.530 174.077 176.600 0.011 0.000 1.044 239 K CA -1.481 54.843 56.287 0.063 0.000 0.974 239 K CB -0.166 32.343 32.500 0.014 0.000 0.962 239 K HN 0.347 nan 8.250 nan 0.000 0.474 240 P HA -0.044 nan 4.420 nan 0.000 0.268 240 P C 0.549 177.720 177.300 -0.215 0.000 1.204 240 P CA 0.013 62.928 63.100 -0.308 0.000 0.768 240 P CB 0.411 31.820 31.700 -0.484 0.000 0.842 241 I N -0.007 120.376 120.570 -0.312 0.000 2.546 241 I HA -0.007 4.162 4.170 -0.001 0.000 0.255 241 I C -0.081 175.804 176.117 -0.386 0.000 1.163 241 I CA 0.841 61.879 61.300 -0.437 0.000 1.457 241 I CB -0.377 37.169 38.000 -0.756 0.000 1.092 241 I HN 0.170 nan 8.210 nan 0.000 0.434 242 Y N 0.563 120.704 120.300 -0.264 0.000 2.425 242 Y HA 0.639 5.188 4.550 -0.001 0.000 0.344 242 Y C -0.136 175.770 175.900 0.010 0.000 0.969 242 Y CA -1.242 56.696 58.100 -0.270 0.000 1.052 242 Y CB 1.982 40.145 38.460 -0.496 0.000 1.215 242 Y HN -0.021 nan 8.280 nan 0.000 0.451 243 S N 3.055 118.889 115.700 0.223 0.000 2.616 243 S HA 0.442 4.912 4.470 -0.001 0.000 0.276 243 S C -1.633 173.053 174.600 0.144 0.000 1.159 243 S CA -0.639 57.649 58.200 0.146 0.000 1.000 243 S CB 0.396 63.601 63.200 0.009 0.000 1.117 243 S HN 0.908 nan 8.310 nan 0.000 0.464 244 N N 2.916 121.706 118.700 0.151 0.000 3.418 244 N HA 0.406 5.146 4.740 -0.001 0.000 0.316 244 N C 0.384 175.896 175.510 0.004 0.000 1.601 244 N CA -0.876 52.239 53.050 0.109 0.000 0.805 244 N CB 0.173 38.786 38.487 0.210 0.000 1.873 244 N HN 0.389 nan 8.380 nan 0.000 0.615 245 K N -1.134 119.219 120.400 -0.078 0.000 2.211 245 K HA 0.094 4.413 4.320 -0.001 0.000 0.203 245 K C 0.254 176.593 176.600 -0.435 0.000 1.050 245 K CA 1.246 57.347 56.287 -0.310 0.000 0.945 245 K CB -0.258 31.944 32.500 -0.497 0.000 0.732 245 K HN 0.459 nan 8.250 nan 0.000 0.451 246 F N -0.490 119.453 119.950 -0.011 0.000 2.746 246 F HA 0.305 4.831 4.527 -0.001 0.000 0.297 246 F C 0.975 176.616 175.800 -0.264 0.000 1.113 246 F CA 0.152 58.124 58.000 -0.046 0.000 1.367 246 F CB 1.303 40.346 39.000 0.073 0.000 1.111 246 F HN 0.023 nan 8.300 nan 0.000 0.590 247 G N -0.091 108.505 108.800 -0.340 0.000 2.489 247 G HA2 0.515 4.474 3.960 -0.001 0.000 0.291 247 G HA3 0.515 4.474 3.960 -0.001 0.000 0.291 247 G C -1.959 172.508 174.900 -0.723 0.000 1.487 247 G CA -1.027 43.496 45.100 -0.962 0.000 0.795 247 G HN -0.031 nan 8.290 nan 0.000 0.513 248 R N -0.432 119.755 120.500 -0.521 0.000 2.673 248 R HA 0.613 4.952 4.340 -0.001 0.000 0.281 248 R C -1.920 174.359 176.300 -0.034 0.000 0.991 248 R CA -0.960 55.029 56.100 -0.184 0.000 0.896 248 R CB 1.977 32.145 30.300 -0.220 0.000 1.201 248 R HN 0.559 nan 8.270 nan 0.000 0.457 249 W N 6.322 127.502 121.300 -0.199 0.000 2.587 249 W HA 0.337 4.997 4.660 -0.001 0.000 0.324 249 W C -1.903 174.369 176.519 -0.412 0.000 1.008 249 W CA -1.012 56.224 57.345 -0.181 0.000 1.265 249 W CB 0.817 30.290 29.460 0.021 0.000 1.328 249 W HN 0.571 nan 8.180 nan 0.000 0.432 250 Y N 3.506 123.872 120.300 0.110 0.000 2.334 250 Y HA 0.441 4.990 4.550 -0.001 0.000 0.328 250 Y C 0.302 176.262 175.900 0.100 0.000 1.130 250 Y CA -0.360 57.782 58.100 0.071 0.000 1.163 250 Y CB 1.722 40.181 38.460 -0.002 0.000 1.207 250 Y HN 0.426 nan 8.280 nan 0.000 0.471 251 E N 3.136 123.464 120.200 0.213 0.000 2.321 251 E HA 0.466 4.816 4.350 -0.001 0.000 0.281 251 E C -1.798 174.844 176.600 0.070 0.000 0.910 251 E CA -0.664 55.811 56.400 0.126 0.000 0.770 251 E CB 1.411 31.155 29.700 0.074 0.000 1.225 251 E HN 0.682 nan 8.360 nan 0.000 0.417 252 M N 3.071 122.737 119.600 0.110 0.000 2.321 252 M HA 0.363 4.842 4.480 -0.001 0.000 0.315 252 M C -0.564 175.815 176.300 0.131 0.000 1.052 252 M CA -0.625 54.737 55.300 0.103 0.000 0.936 252 M CB 2.128 34.823 32.600 0.158 0.000 1.639 252 M HN 0.701 nan 8.290 nan 0.000 0.433 253 T N -0.981 113.614 114.554 0.069 0.000 2.949 253 T HA 0.576 4.925 4.350 -0.001 0.000 0.287 253 T C -2.169 172.575 174.700 0.073 0.000 1.034 253 T CA -1.774 60.393 62.100 0.111 0.000 1.018 253 T CB 1.565 70.456 68.868 0.039 0.000 1.135 253 T HN 0.428 nan 8.240 nan 0.000 0.532 254 P HA -0.055 nan 4.420 nan 0.000 0.223 254 P C 0.873 178.180 177.300 0.011 0.000 1.144 254 P CA 0.973 64.102 63.100 0.049 0.000 0.783 254 P CB 0.220 31.964 31.700 0.073 0.000 0.771 255 E N 0.434 120.642 120.200 0.013 0.000 2.152 255 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 255 E C 1.908 178.492 176.600 -0.027 0.000 0.983 255 E CA 1.215 57.611 56.400 -0.006 0.000 0.818 255 E CB -0.363 29.334 29.700 -0.004 0.000 0.758 255 E HN 0.330 nan 8.360 nan 0.000 0.467 256 K N -0.325 120.053 120.400 -0.037 0.000 2.262 256 K HA 0.089 4.409 4.320 -0.001 0.000 0.200 256 K C 0.566 177.095 176.600 -0.118 0.000 1.049 256 K CA 0.266 56.516 56.287 -0.063 0.000 0.979 256 K CB 0.311 32.779 32.500 -0.052 0.000 0.773 256 K HN -0.069 nan 8.250 nan 0.000 0.474 257 N N 0.201 118.814 118.700 -0.146 0.000 2.352 257 N HA 0.130 4.869 4.740 -0.001 0.000 0.291 257 N C -2.416 172.989 175.510 -0.174 0.000 1.040 257 N CA -1.862 51.032 53.050 -0.260 0.000 0.864 257 N CB 2.048 40.213 38.487 -0.536 0.000 1.440 257 N HN -0.246 nan 8.380 nan 0.000 0.483 258 P HA -0.122 nan 4.420 nan 0.000 0.218 258 P C 0.761 178.027 177.300 -0.055 0.000 1.149 258 P CA 1.261 64.313 63.100 -0.081 0.000 0.817 258 P CB 0.705 32.365 31.700 -0.067 0.000 0.785 259 Q N -0.833 118.920 119.800 -0.079 0.000 2.079 259 Q HA -0.075 4.265 4.340 -0.001 0.000 0.200 259 Q C 2.175 178.207 176.000 0.053 0.000 0.974 259 Q CA 0.930 56.744 55.803 0.017 0.000 0.840 259 Q CB -0.487 28.321 28.738 0.117 0.000 0.898 259 Q HN 0.172 nan 8.270 nan 0.000 0.430 260 L N 1.101 122.333 121.223 0.015 0.000 2.141 260 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 260 L C 2.194 179.101 176.870 0.062 0.000 1.094 260 L CA 1.651 56.539 54.840 0.081 0.000 0.763 260 L CB -0.565 41.534 42.059 0.067 0.000 0.908 260 L HN 0.109 nan 8.230 nan 0.000 0.437 261 K N -0.579 119.834 120.400 0.022 0.000 2.097 261 K HA -0.155 4.164 4.320 -0.001 0.000 0.205 261 K C 1.620 178.239 176.600 0.032 0.000 1.050 261 K CA 1.180 57.483 56.287 0.026 0.000 0.938 261 K CB 0.056 32.558 32.500 0.004 0.000 0.718 261 K HN 0.258 nan 8.250 nan 0.000 0.442 262 D N 0.864 121.280 120.400 0.028 0.000 2.117 262 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 262 D C 1.754 178.078 176.300 0.041 0.000 0.987 262 D CA 1.145 55.162 54.000 0.027 0.000 0.829 262 D CB 0.078 40.891 40.800 0.022 0.000 0.961 262 D HN 0.278 nan 8.370 nan 0.000 0.460 263 L N 0.032 121.293 121.223 0.063 0.000 2.558 263 L HA 0.010 4.349 4.340 -0.001 0.000 0.225 263 L C 0.200 177.125 176.870 0.091 0.000 1.128 263 L CA -0.096 54.795 54.840 0.085 0.000 0.868 263 L CB -0.045 42.080 42.059 0.110 0.000 1.006 263 L HN -0.081 nan 8.230 nan 0.000 0.454 264 D N 0.796 121.241 120.400 0.075 0.000 2.697 264 D HA -0.171 4.468 4.640 -0.001 0.000 0.238 264 D C -0.908 175.428 176.300 0.060 0.000 1.152 264 D CA 0.329 54.371 54.000 0.071 0.000 0.666 264 D CB -0.717 40.122 40.800 0.065 0.000 1.037 264 D HN -0.033 nan 8.370 nan 0.000 0.423 265 V N 1.706 121.667 119.914 0.079 0.000 2.789 265 V HA 0.719 4.838 4.120 -0.001 0.000 0.311 265 V C 0.209 176.391 176.094 0.147 0.000 1.073 265 V CA -0.898 61.428 62.300 0.042 0.000 0.921 265 V CB 1.833 33.703 31.823 0.079 0.000 1.009 265 V HN 0.234 nan 8.190 nan 0.000 0.426 266 F N 4.399 124.420 119.950 0.117 0.000 2.556 266 F HA 0.937 5.463 4.527 -0.001 0.000 0.327 266 F C -0.423 175.439 175.800 0.102 0.000 1.059 266 F CA -1.128 56.937 58.000 0.107 0.000 0.953 266 F CB 1.575 40.621 39.000 0.077 0.000 1.227 266 F HN 0.468 nan 8.300 nan 0.000 0.478 267 I N 0.259 121.117 120.570 0.479 0.000 2.608 267 I HA 0.788 4.957 4.170 -0.001 0.000 0.295 267 I C -1.161 174.979 176.117 0.038 0.000 1.049 267 I CA -0.742 60.635 61.300 0.127 0.000 1.063 267 I CB 2.215 40.311 38.000 0.160 0.000 1.248 267 I HN 0.626 nan 8.210 nan 0.000 0.424 268 S N 2.768 118.246 115.700 -0.370 0.000 2.570 268 S HA 0.657 5.126 4.470 -0.001 0.000 0.286 268 S C -0.757 173.511 174.600 -0.554 0.000 1.099 268 S CA -0.719 57.296 58.200 -0.309 0.000 0.913 268 S CB 1.907 64.992 63.200 -0.193 0.000 1.085 268 S HN 0.739 nan 8.310 nan 0.000 0.480 269 S N 1.606 117.106 115.700 -0.334 0.000 2.776 269 S HA 0.613 5.082 4.470 -0.001 0.000 0.284 269 S C -1.162 173.243 174.600 -0.326 0.000 1.160 269 S CA -0.557 57.523 58.200 -0.200 0.000 1.051 269 S CB 0.760 63.996 63.200 0.061 0.000 1.037 269 S HN 0.853 nan 8.310 nan 0.000 0.485 270 V N 3.302 122.809 119.914 -0.678 0.000 2.656 270 V HA 0.743 4.862 4.120 -0.001 0.000 0.307 270 V C -1.557 174.269 176.094 -0.446 0.000 1.051 270 V CA -0.634 61.272 62.300 -0.656 0.000 0.893 270 V CB 2.037 33.222 31.823 -1.064 0.000 0.999 270 V HN 0.787 nan 8.190 nan 0.000 0.426 271 D N 6.397 126.655 120.400 -0.236 0.000 2.192 271 D HA 0.690 5.329 4.640 -0.001 0.000 0.246 271 D C -0.415 175.750 176.300 -0.226 0.000 1.042 271 D CA 0.016 53.921 54.000 -0.158 0.000 0.847 271 D CB 1.890 42.644 40.800 -0.075 0.000 1.186 271 D HN 0.668 nan 8.370 nan 0.000 0.461 272 M N 1.084 120.615 119.600 -0.114 0.000 2.378 272 M HA 0.273 4.752 4.480 -0.001 0.000 0.289 272 M C -0.353 175.945 176.300 -0.003 0.000 1.136 272 M CA -0.812 54.434 55.300 -0.091 0.000 0.917 272 M CB 2.974 35.603 32.600 0.048 0.000 1.669 272 M HN -0.084 nan 8.290 nan 0.000 0.461 273 K N 1.135 121.548 120.400 0.021 0.000 2.126 273 K HA 0.276 4.595 4.320 -0.001 0.000 0.257 273 K C -0.209 176.450 176.600 0.097 0.000 1.007 273 K CA -0.692 55.627 56.287 0.054 0.000 0.928 273 K CB 1.004 33.535 32.500 0.053 0.000 1.013 273 K HN 0.631 nan 8.250 nan 0.000 0.473 274 E N 0.074 120.323 120.200 0.082 0.000 2.442 274 E HA -0.065 4.284 4.350 -0.001 0.000 0.262 274 E C 0.560 177.228 176.600 0.114 0.000 1.004 274 E CA 0.936 57.388 56.400 0.086 0.000 0.928 274 E CB 0.121 29.861 29.700 0.066 0.000 0.937 274 E HN 0.759 nan 8.360 nan 0.000 0.446 275 G N 2.242 111.103 108.800 0.102 0.000 2.162 275 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 275 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 275 G C 0.119 175.081 174.900 0.104 0.000 0.976 275 G CA 0.177 45.336 45.100 0.099 0.000 0.655 275 G HN 0.812 nan 8.290 nan 0.000 0.533 276 A N -0.513 122.392 122.820 0.142 0.000 2.310 276 A HA 0.834 5.153 4.320 -0.001 0.000 0.299 276 A C -0.187 177.474 177.584 0.129 0.000 1.147 276 A CA -0.112 52.013 52.037 0.146 0.000 0.818 276 A CB 1.314 20.459 19.000 0.242 0.000 1.096 276 A HN 1.533 nan 8.150 nan 0.000 0.495 277 L N 2.768 124.047 121.223 0.093 0.000 2.325 277 L HA 0.616 4.955 4.340 -0.001 0.000 0.281 277 L C -0.982 176.040 176.870 0.253 0.000 1.004 277 L CA -0.659 54.261 54.840 0.134 0.000 0.823 277 L CB 1.640 43.719 42.059 0.034 0.000 1.236 277 L HN 0.627 nan 8.230 nan 0.000 0.415 278 L N 6.189 127.614 121.223 0.335 0.000 2.283 278 L HA 0.443 4.782 4.340 -0.001 0.000 0.287 278 L C -0.573 176.461 176.870 0.274 0.000 1.073 278 L CA 0.071 55.126 54.840 0.359 0.000 0.822 278 L CB 0.252 42.613 42.059 0.502 0.000 1.186 278 L HN 0.634 nan 8.230 nan 0.000 0.436 279 L N 6.437 127.794 121.223 0.222 0.000 2.503 279 L HA 0.120 4.459 4.340 -0.001 0.000 0.287 279 L C -1.747 175.308 176.870 0.309 0.000 1.252 279 L CA -1.430 53.546 54.840 0.226 0.000 0.835 279 L CB -0.384 41.793 42.059 0.195 0.000 1.099 279 L HN 0.521 nan 8.230 nan 0.000 0.516 280 P HA 0.005 nan 4.420 nan 0.000 0.264 280 P C -1.025 176.323 177.300 0.080 0.000 1.183 280 P CA 0.673 63.839 63.100 0.109 0.000 0.763 280 P CB 0.344 32.087 31.700 0.072 0.000 0.807 281 H N 1.006 119.979 119.070 -0.163 0.000 2.932 281 H HA 0.469 5.025 4.556 -0.001 0.000 0.307 281 H C -1.632 173.619 175.328 -0.129 0.000 1.391 281 H CA -0.864 54.952 56.048 -0.387 0.000 1.130 281 H CB 0.807 29.893 29.762 -1.126 0.000 1.836 281 H HN 0.494 nan 8.280 nan 0.000 0.522 282 Y N -0.165 120.032 120.300 -0.173 0.000 2.513 282 Y HA 0.510 5.060 4.550 -0.001 0.000 0.340 282 Y C -1.694 174.214 175.900 0.013 0.000 1.055 282 Y CA -1.017 57.021 58.100 -0.104 0.000 1.020 282 Y CB 1.266 39.698 38.460 -0.047 0.000 1.301 282 Y HN 0.589 nan 8.280 nan 0.000 0.453 283 N N 1.815 120.686 118.700 0.284 0.000 2.444 283 N HA 0.191 4.931 4.740 -0.001 0.000 0.271 283 N C 0.760 176.488 175.510 0.363 0.000 1.069 283 N CA 0.147 53.344 53.050 0.245 0.000 0.965 283 N CB 1.708 40.361 38.487 0.276 0.000 1.092 283 N HN 0.826 nan 8.380 nan 0.000 0.476 284 S N 3.305 119.178 115.700 0.288 0.000 2.359 284 S HA -0.289 4.181 4.470 -0.001 0.000 0.223 284 S C 1.192 175.920 174.600 0.214 0.000 1.039 284 S CA 1.397 59.795 58.200 0.330 0.000 1.042 284 S CB -0.209 63.118 63.200 0.211 0.000 0.915 284 S HN 0.808 nan 8.310 nan 0.000 0.439 285 K N 0.078 120.579 120.400 0.167 0.000 2.521 285 K HA 0.600 4.920 4.320 -0.001 0.000 0.213 285 K C 0.270 176.927 176.600 0.096 0.000 1.223 285 K CA 0.164 56.520 56.287 0.115 0.000 1.013 285 K CB 0.584 33.142 32.500 0.098 0.000 1.017 285 K HN 0.357 nan 8.250 nan 0.000 0.591 286 A N 2.029 124.933 122.820 0.140 0.000 2.331 286 A HA 0.539 4.858 4.320 -0.001 0.000 0.283 286 A C -0.301 177.286 177.584 0.004 0.000 1.142 286 A CA -0.672 51.420 52.037 0.091 0.000 0.812 286 A CB 0.064 19.225 19.000 0.268 0.000 1.074 286 A HN 0.340 nan 8.150 nan 0.000 0.497 287 I N 3.041 123.542 120.570 -0.115 0.000 2.297 287 I HA 0.225 4.394 4.170 -0.001 0.000 0.291 287 I C -0.535 175.447 176.117 -0.226 0.000 1.033 287 I CA -0.451 60.739 61.300 -0.184 0.000 1.253 287 I CB 1.368 39.221 38.000 -0.245 0.000 1.396 287 I HN 0.260 nan 8.210 nan 0.000 0.476 288 V N 7.944 127.770 119.914 -0.146 0.000 2.407 288 V HA 0.367 4.487 4.120 -0.001 0.000 0.278 288 V C 0.224 176.261 176.094 -0.095 0.000 1.037 288 V CA -0.377 61.866 62.300 -0.095 0.000 0.900 288 V CB 1.624 33.497 31.823 0.082 0.000 0.983 288 V HN 0.477 nan 8.190 nan 0.000 0.459 289 I N 6.791 127.324 120.570 -0.061 0.000 2.328 289 I HA 0.461 4.631 4.170 -0.001 0.000 0.287 289 I C 0.078 176.298 176.117 0.172 0.000 1.012 289 I CA -0.203 61.110 61.300 0.022 0.000 1.195 289 I CB 1.143 39.163 38.000 0.033 0.000 1.350 289 I HN 0.656 nan 8.210 nan 0.000 0.464 290 M N 6.717 126.433 119.600 0.194 0.000 2.578 290 M HA 0.828 5.308 4.480 -0.001 0.000 0.321 290 M C -1.475 174.990 176.300 0.276 0.000 1.182 290 M CA -0.745 54.680 55.300 0.208 0.000 0.965 290 M CB 2.734 35.385 32.600 0.084 0.000 1.694 290 M HN 0.311 nan 8.290 nan 0.000 0.461 291 V N 3.269 123.370 119.914 0.311 0.000 2.789 291 V HA 0.528 4.647 4.120 -0.001 0.000 0.311 291 V C -1.009 175.273 176.094 0.313 0.000 1.073 291 V CA -0.912 61.583 62.300 0.326 0.000 0.921 291 V CB 2.284 34.318 31.823 0.352 0.000 1.009 291 V HN 0.847 nan 8.190 nan 0.000 0.426 292 I N 5.489 126.221 120.570 0.269 0.000 2.396 292 I HA 0.215 4.384 4.170 -0.001 0.000 0.289 292 I C 1.245 177.487 176.117 0.208 0.000 1.056 292 I CA 0.597 62.046 61.300 0.248 0.000 1.365 292 I CB 0.445 38.567 38.000 0.205 0.000 1.407 292 I HN 0.883 nan 8.210 nan 0.000 0.509 293 N N 5.245 124.066 118.700 0.202 0.000 2.124 293 N HA 0.015 4.754 4.740 -0.001 0.000 0.188 293 N C -0.057 175.515 175.510 0.104 0.000 1.045 293 N CA 0.629 53.758 53.050 0.133 0.000 0.846 293 N CB 0.660 39.215 38.487 0.113 0.000 1.020 293 N HN 0.647 nan 8.380 nan 0.000 0.432 294 E N -1.365 118.900 120.200 0.109 0.000 2.366 294 E HA 0.477 4.827 4.350 -0.001 0.000 0.278 294 E C -0.903 175.756 176.600 0.099 0.000 0.923 294 E CA -0.535 55.917 56.400 0.087 0.000 0.761 294 E CB 2.433 32.169 29.700 0.060 0.000 1.231 294 E HN 0.466 nan 8.360 nan 0.000 0.443 295 G N 1.694 110.547 108.800 0.088 0.000 2.434 295 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.671 295 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.671 295 G C -1.386 173.570 174.900 0.093 0.000 1.280 295 G CA -0.912 44.241 45.100 0.088 0.000 0.975 295 G HN 0.356 nan 8.290 nan 0.000 0.510 296 E N -0.455 119.796 120.200 0.086 0.000 2.266 296 E HA 0.768 5.117 4.350 -0.001 0.000 0.268 296 E C 0.002 176.645 176.600 0.072 0.000 0.879 296 E CA -0.078 56.367 56.400 0.075 0.000 0.762 296 E CB 2.000 31.736 29.700 0.060 0.000 1.199 296 E HN 1.706 nan 8.360 nan 0.000 0.422 297 A N 2.172 125.023 122.820 0.051 0.000 2.574 297 A HA 0.621 4.941 4.320 -0.001 0.000 0.297 297 A C -1.084 176.487 177.584 -0.022 0.000 1.062 297 A CA -0.801 51.253 52.037 0.029 0.000 0.686 297 A CB 1.448 20.469 19.000 0.034 0.000 1.285 297 A HN 0.402 nan 8.150 nan 0.000 0.403 298 K N 1.083 121.466 120.400 -0.028 0.000 2.235 298 K HA 0.646 4.966 4.320 -0.001 0.000 0.266 298 K C -1.179 175.362 176.600 -0.098 0.000 0.980 298 K CA -0.194 56.056 56.287 -0.061 0.000 0.849 298 K CB 2.105 34.589 32.500 -0.027 0.000 1.098 298 K HN 0.635 nan 8.250 nan 0.000 0.445 299 I N 1.821 122.283 120.570 -0.180 0.000 2.569 299 I HA 0.267 4.436 4.170 -0.001 0.000 0.296 299 I C -1.097 174.924 176.117 -0.160 0.000 1.028 299 I CA -0.490 60.664 61.300 -0.243 0.000 1.082 299 I CB 1.513 39.178 38.000 -0.559 0.000 1.264 299 I HN 0.614 nan 8.210 nan 0.000 0.429 300 E N 7.231 127.382 120.200 -0.083 0.000 2.199 300 E HA 0.434 4.784 4.350 -0.001 0.000 0.265 300 E C -1.570 175.064 176.600 0.057 0.000 0.882 300 E CA -0.792 55.614 56.400 0.012 0.000 0.759 300 E CB 2.974 32.687 29.700 0.022 0.000 1.148 300 E HN 0.360 nan 8.360 nan 0.000 0.412 301 L N 2.791 124.124 121.223 0.183 0.000 2.365 301 L HA 0.477 4.816 4.340 -0.001 0.000 0.273 301 L C -1.482 175.577 176.870 0.315 0.000 1.000 301 L CA -0.847 54.145 54.840 0.254 0.000 0.819 301 L CB 2.028 44.321 42.059 0.389 0.000 1.284 301 L HN 0.326 nan 8.230 nan 0.000 0.418 302 V N 4.463 124.512 119.914 0.226 0.000 2.417 302 V HA 0.898 5.018 4.120 -0.001 0.000 0.291 302 V C 0.485 176.633 176.094 0.090 0.000 1.024 302 V CA -0.031 62.367 62.300 0.165 0.000 0.861 302 V CB 0.925 32.778 31.823 0.049 0.000 0.985 302 V HN 0.949 nan 8.190 nan 0.000 0.436 303 G N 3.612 112.516 108.800 0.173 0.000 3.042 303 G HA2 0.798 4.757 3.960 -0.001 0.000 0.278 303 G HA3 0.798 4.757 3.960 -0.001 0.000 0.278 303 G C -1.367 173.508 174.900 -0.041 0.000 1.371 303 G CA -0.907 44.170 45.100 -0.038 0.000 1.009 303 G HN 0.566 nan 8.290 nan 0.000 0.523 304 L N 1.369 122.547 121.223 -0.075 0.000 2.307 304 L HA 0.415 4.755 4.340 -0.001 0.000 0.284 304 L C 1.029 177.913 176.870 0.025 0.000 1.023 304 L CA -0.821 53.993 54.840 -0.042 0.000 0.810 304 L CB 1.862 43.873 42.059 -0.081 0.000 1.231 304 L HN 0.707 nan 8.230 nan 0.000 0.423 305 S N 0.775 116.480 115.700 0.009 0.000 2.587 305 S HA 0.285 4.754 4.470 -0.001 0.000 0.260 305 S C -0.511 174.105 174.600 0.027 0.000 1.353 305 S CA -0.356 57.855 58.200 0.019 0.000 0.995 305 S CB 1.571 64.767 63.200 -0.005 0.000 0.912 305 S HN 0.711 nan 8.310 nan 0.000 0.568 318 E N 0.803 120.992 120.200 -0.019 0.000 2.312 318 E HA 0.588 4.938 4.350 -0.001 0.000 0.267 318 E C -1.049 175.535 176.600 -0.025 0.000 0.894 318 E CA -0.975 55.412 56.400 -0.020 0.000 0.773 318 E CB 3.088 32.777 29.700 -0.019 0.000 1.241 318 E HN 0.584 nan 8.360 nan 0.000 0.432 319 V N 0.035 119.932 119.914 -0.027 0.000 2.732 319 V HA 0.353 4.472 4.120 -0.001 0.000 0.297 319 V C -0.297 175.769 176.094 -0.046 0.000 1.060 319 V CA -0.639 61.641 62.300 -0.033 0.000 1.038 319 V CB 1.307 33.115 31.823 -0.025 0.000 1.003 319 V HN 0.608 nan 8.190 nan 0.000 0.481 320 Q N 3.123 122.892 119.800 -0.052 0.000 2.325 320 Q HA 0.469 4.808 4.340 -0.001 0.000 0.262 320 Q C -0.507 175.349 176.000 -0.240 0.000 0.968 320 Q CA -0.257 55.454 55.803 -0.154 0.000 0.877 320 Q CB 1.362 30.026 28.738 -0.123 0.000 1.253 320 Q HN 0.849 nan 8.270 nan 0.000 0.448 321 R N 3.325 123.654 120.500 -0.286 0.000 2.297 321 R HA 0.383 4.722 4.340 -0.001 0.000 0.308 321 R C -0.889 175.219 176.300 -0.320 0.000 1.029 321 R CA -0.389 55.601 56.100 -0.183 0.000 0.929 321 R CB 0.998 31.252 30.300 -0.078 0.000 1.046 321 R HN 0.590 nan 8.270 nan 0.000 0.461 322 Y N 2.364 122.767 120.300 0.170 0.000 2.338 322 Y HA 0.384 4.933 4.550 -0.001 0.000 0.328 322 Y C 0.154 176.171 175.900 0.196 0.000 0.965 322 Y CA -0.959 57.287 58.100 0.243 0.000 1.208 322 Y CB 1.206 39.925 38.460 0.432 0.000 1.132 322 Y HN 0.226 nan 8.280 nan 0.000 0.469 323 R N 2.272 122.914 120.500 0.236 0.000 2.778 323 R HA 0.947 5.286 4.340 -0.001 0.000 0.277 323 R C -0.993 175.342 176.300 0.058 0.000 0.977 323 R CA -1.270 54.895 56.100 0.109 0.000 0.950 323 R CB 2.071 32.395 30.300 0.040 0.000 1.165 323 R HN 0.725 nan 8.270 nan 0.000 0.474 324 A N 1.044 123.819 122.820 -0.076 0.000 2.599 324 A HA 0.398 4.717 4.320 -0.001 0.000 0.294 324 A C -1.476 175.944 177.584 -0.274 0.000 1.055 324 A CA -0.776 51.110 52.037 -0.253 0.000 0.683 324 A CB 1.519 20.319 19.000 -0.334 0.000 1.278 324 A HN 0.631 nan 8.150 nan 0.000 0.412 325 E N 1.362 121.381 120.200 -0.302 0.000 2.145 325 E HA 0.540 4.890 4.350 -0.001 0.000 0.270 325 E C -1.077 175.451 176.600 -0.120 0.000 0.906 325 E CA -0.454 55.852 56.400 -0.157 0.000 0.761 325 E CB 1.617 31.273 29.700 -0.074 0.000 1.116 325 E HN 0.544 nan 8.360 nan 0.000 0.408 326 L N 1.635 122.843 121.223 -0.026 0.000 2.322 326 L HA 0.530 4.869 4.340 -0.001 0.000 0.279 326 L C 0.182 177.133 176.870 0.134 0.000 1.036 326 L CA -0.556 54.358 54.840 0.123 0.000 0.807 326 L CB 1.521 43.645 42.059 0.107 0.000 1.226 326 L HN 0.409 nan 8.230 nan 0.000 0.433 327 S N -0.336 115.479 115.700 0.191 0.000 2.704 327 S HA 0.237 4.707 4.470 -0.001 0.000 0.296 327 S C -0.841 173.853 174.600 0.158 0.000 1.138 327 S CA -0.825 57.465 58.200 0.150 0.000 0.875 327 S CB 1.881 65.163 63.200 0.136 0.000 1.151 327 S HN 0.639 nan 8.310 nan 0.000 0.500 328 E N 0.764 121.038 120.200 0.124 0.000 2.765 328 E HA -0.116 4.234 4.350 -0.001 0.000 0.256 328 E C -0.452 176.217 176.600 0.115 0.000 0.935 328 E CA 0.819 57.287 56.400 0.113 0.000 0.954 328 E CB -0.037 29.710 29.700 0.079 0.000 0.908 328 E HN 0.565 nan 8.360 nan 0.000 0.500 329 D N 1.908 122.386 120.400 0.129 0.000 2.653 329 D HA -0.172 4.467 4.640 -0.001 0.000 0.184 329 D C -0.695 175.738 176.300 0.222 0.000 0.993 329 D CA 1.359 55.431 54.000 0.119 0.000 1.027 329 D CB -0.900 39.900 40.800 -0.001 0.000 1.089 329 D HN 0.545 nan 8.370 nan 0.000 0.447 330 D N 0.352 120.907 120.400 0.257 0.000 2.443 330 D HA 0.288 4.927 4.640 -0.001 0.000 0.239 330 D C 0.393 176.924 176.300 0.384 0.000 1.136 330 D CA 0.184 54.387 54.000 0.338 0.000 0.879 330 D CB 1.144 42.186 40.800 0.404 0.000 1.195 330 D HN -0.107 nan 8.370 nan 0.000 0.443 331 V N 2.687 122.848 119.914 0.412 0.000 2.667 331 V HA 0.550 4.670 4.120 -0.001 0.000 0.308 331 V C -0.607 175.804 176.094 0.527 0.000 1.048 331 V CA -0.768 61.773 62.300 0.402 0.000 0.928 331 V CB 1.689 33.684 31.823 0.287 0.000 1.004 331 V HN 0.404 nan 8.190 nan 0.000 0.444 332 F N 3.107 123.241 119.950 0.308 0.000 2.591 332 F HA 0.731 5.257 4.527 -0.001 0.000 0.309 332 F C -0.853 175.077 175.800 0.217 0.000 1.098 332 F CA -0.552 57.656 58.000 0.346 0.000 0.937 332 F CB 1.989 41.140 39.000 0.252 0.000 1.250 332 F HN 0.236 nan 8.300 nan 0.000 0.447 333 V N 6.688 126.424 119.914 -0.296 0.000 2.417 333 V HA 0.434 4.553 4.120 -0.001 0.000 0.291 333 V C -0.213 175.676 176.094 -0.343 0.000 1.024 333 V CA -0.625 61.547 62.300 -0.212 0.000 0.861 333 V CB 1.617 33.348 31.823 -0.153 0.000 0.985 333 V HN 0.548 nan 8.190 nan 0.000 0.436 334 I N 7.230 127.705 120.570 -0.159 0.000 2.330 334 I HA 0.345 4.514 4.170 -0.001 0.000 0.286 334 I C -2.394 173.515 176.117 -0.347 0.000 1.025 334 I CA -1.904 59.285 61.300 -0.185 0.000 1.197 334 I CB 1.673 39.696 38.000 0.038 0.000 1.358 334 I HN 0.407 nan 8.210 nan 0.000 0.467 335 P HA 0.051 nan 4.420 nan 0.000 0.269 335 P C -0.198 176.870 177.300 -0.387 0.000 1.209 335 P CA -0.241 62.424 63.100 -0.725 0.000 0.776 335 P CB 0.618 31.399 31.700 -1.532 0.000 0.876 336 A N 3.182 125.887 122.820 -0.191 0.000 2.561 336 A HA 0.334 4.653 4.320 -0.001 0.000 0.234 336 A C 1.406 179.045 177.584 0.091 0.000 1.055 336 A CA 0.757 52.789 52.037 -0.009 0.000 0.756 336 A CB -1.388 17.618 19.000 0.010 0.000 0.986 336 A HN 0.801 nan 8.150 nan 0.000 0.505 337 A N 0.872 123.770 122.820 0.131 0.000 3.601 337 A HA -0.195 4.125 4.320 -0.001 0.000 0.266 337 A C 0.183 177.765 177.584 -0.005 0.000 1.077 337 A CA 1.468 53.494 52.037 -0.019 0.000 1.228 337 A CB -2.644 16.313 19.000 -0.072 0.000 1.099 337 A HN 1.309 nan 8.150 nan 0.000 0.916 338 Y N 0.449 120.674 120.300 -0.125 0.000 2.393 338 Y HA 0.451 5.001 4.550 -0.001 0.000 0.338 338 Y C -2.002 173.860 175.900 -0.062 0.000 1.029 338 Y CA -1.996 56.032 58.100 -0.120 0.000 1.239 338 Y CB 0.055 38.408 38.460 -0.179 0.000 1.170 338 Y HN 0.155 nan 8.280 nan 0.000 0.515 339 P HA 0.079 nan 4.420 nan 0.000 0.266 339 P C -0.827 176.471 177.300 -0.004 0.000 1.195 339 P CA 0.181 63.312 63.100 0.051 0.000 0.768 339 P CB 0.958 32.684 31.700 0.044 0.000 0.838 340 V N 2.044 121.866 119.914 -0.153 0.000 3.087 340 V HA 0.833 4.952 4.120 -0.001 0.000 0.306 340 V C -1.597 174.396 176.094 -0.168 0.000 1.187 340 V CA -0.723 61.483 62.300 -0.155 0.000 0.999 340 V CB 2.164 33.887 31.823 -0.167 0.000 1.049 340 V HN 0.646 nan 8.190 nan 0.000 0.431 341 A N 5.894 128.698 122.820 -0.027 0.000 2.486 341 A HA 0.909 5.229 4.320 -0.001 0.000 0.300 341 A C -1.484 176.137 177.584 0.061 0.000 1.048 341 A CA -0.500 51.581 52.037 0.073 0.000 0.696 341 A CB 1.597 20.637 19.000 0.067 0.000 1.278 341 A HN 0.802 nan 8.150 nan 0.000 0.405 342 I N 2.115 122.768 120.570 0.138 0.000 2.447 342 I HA 0.326 4.496 4.170 -0.001 0.000 0.287 342 I C -0.176 176.023 176.117 0.137 0.000 1.023 342 I CA -0.351 61.007 61.300 0.096 0.000 1.083 342 I CB 2.067 40.139 38.000 0.120 0.000 1.245 342 I HN 0.796 nan 8.210 nan 0.000 0.434 343 N N 5.309 124.056 118.700 0.079 0.000 2.469 343 N HA 0.552 5.291 4.740 -0.001 0.000 0.253 343 N C -0.577 174.985 175.510 0.087 0.000 0.970 343 N CA -0.428 52.673 53.050 0.085 0.000 0.940 343 N CB 1.342 39.857 38.487 0.047 0.000 1.128 343 N HN 0.748 nan 8.380 nan 0.000 0.503 344 A N 2.860 125.753 122.820 0.121 0.000 2.396 344 A HA 0.160 4.480 4.320 -0.001 0.000 0.279 344 A C 1.257 178.893 177.584 0.087 0.000 1.165 344 A CA -0.358 51.749 52.037 0.117 0.000 0.824 344 A CB 0.053 19.139 19.000 0.143 0.000 1.100 344 A HN 0.810 nan 8.150 nan 0.000 0.516 345 T N -0.539 114.057 114.554 0.070 0.000 3.100 345 T HA 0.280 4.630 4.350 -0.001 0.000 0.253 345 T C 0.695 175.431 174.700 0.058 0.000 1.118 345 T CA 0.609 62.743 62.100 0.057 0.000 1.058 345 T CB -0.518 68.376 68.868 0.043 0.000 0.953 345 T HN 1.312 nan 8.240 nan 0.000 0.515 346 S N 0.200 115.941 115.700 0.067 0.000 2.656 346 S HA 0.500 4.970 4.470 -0.001 0.000 0.273 346 S C -1.282 173.358 174.600 0.067 0.000 1.168 346 S CA -1.153 57.083 58.200 0.061 0.000 0.817 346 S CB 0.830 64.064 63.200 0.057 0.000 1.146 346 S HN 0.093 nan 8.310 nan 0.000 0.475 347 N N 0.475 119.209 118.700 0.056 0.000 2.407 347 N HA 0.463 5.202 4.740 -0.001 0.000 0.250 347 N C -0.590 174.958 175.510 0.063 0.000 1.236 347 N CA 0.128 53.208 53.050 0.051 0.000 0.879 347 N CB 0.449 38.957 38.487 0.035 0.000 1.088 347 N HN 0.736 nan 8.380 nan 0.000 0.450 348 L N 1.404 122.667 121.223 0.066 0.000 2.465 348 L HA 0.551 4.890 4.340 -0.001 0.000 0.257 348 L C -1.391 175.524 176.870 0.074 0.000 0.988 348 L CA -0.696 54.202 54.840 0.097 0.000 0.827 348 L CB 2.254 44.405 42.059 0.153 0.000 1.397 348 L HN 0.619 nan 8.230 nan 0.000 0.410 349 N N 2.240 120.999 118.700 0.099 0.000 2.397 349 N HA 0.717 5.456 4.740 -0.001 0.000 0.291 349 N C -1.725 173.876 175.510 0.152 0.000 1.065 349 N CA -0.484 52.588 53.050 0.037 0.000 0.884 349 N CB 1.393 39.892 38.487 0.020 0.000 1.551 349 N HN 0.581 nan 8.380 nan 0.000 0.487 350 F N 1.398 121.374 119.950 0.043 0.000 2.603 350 F HA 0.754 5.280 4.527 -0.001 0.000 0.317 350 F C -1.534 174.305 175.800 0.065 0.000 1.066 350 F CA -1.214 56.827 58.000 0.068 0.000 0.941 350 F CB 1.148 40.181 39.000 0.055 0.000 1.291 350 F HN 0.297 nan 8.300 nan 0.000 0.472 351 F N 1.631 121.710 119.950 0.215 0.000 2.538 351 F HA 0.874 5.400 4.527 -0.001 0.000 0.325 351 F C -0.935 174.918 175.800 0.089 0.000 1.066 351 F CA -0.874 57.138 58.000 0.020 0.000 0.946 351 F CB 1.917 40.864 39.000 -0.089 0.000 1.199 351 F HN 0.953 nan 8.300 nan 0.000 0.473 352 A N 4.068 126.390 122.820 -0.831 0.000 2.520 352 A HA 0.697 5.017 4.320 -0.001 0.000 0.298 352 A C -2.089 175.123 177.584 -0.619 0.000 1.051 352 A CA -0.474 51.325 52.037 -0.396 0.000 0.690 352 A CB 0.654 19.656 19.000 0.003 0.000 1.281 352 A HN 0.628 nan 8.150 nan 0.000 0.402 353 F N 1.059 120.922 119.950 -0.144 0.000 2.427 353 F HA 0.573 5.100 4.527 -0.001 0.000 0.346 353 F C 1.068 176.597 175.800 -0.451 0.000 1.120 353 F CA -0.221 57.660 58.000 -0.199 0.000 1.033 353 F CB 2.474 41.430 39.000 -0.073 0.000 1.126 353 F HN 0.693 nan 8.300 nan 0.000 0.462 354 G N 4.602 112.960 108.800 -0.737 0.000 2.415 354 G HA2 0.584 4.543 3.960 -0.001 0.000 0.317 354 G HA3 0.584 4.543 3.960 -0.001 0.000 0.317 354 G C -0.865 173.599 174.900 -0.727 0.000 1.152 354 G CA -0.351 43.944 45.100 -1.342 0.000 0.956 354 G HN 0.372 nan 8.290 nan 0.000 0.458 355 I N 1.578 121.861 120.570 -0.478 0.000 2.532 355 I HA 0.264 4.434 4.170 -0.001 0.000 0.292 355 I C 1.253 177.246 176.117 -0.206 0.000 1.014 355 I CA -0.298 60.779 61.300 -0.371 0.000 1.340 355 I CB 1.212 38.885 38.000 -0.546 0.000 1.422 355 I HN 0.772 nan 8.210 nan 0.000 0.528 356 N N 3.121 121.766 118.700 -0.091 0.000 2.740 356 N HA -0.245 4.495 4.740 -0.001 0.000 0.248 356 N C 0.940 176.468 175.510 0.030 0.000 1.062 356 N CA 0.435 53.480 53.050 -0.008 0.000 0.704 356 N CB -0.121 38.361 38.487 -0.008 0.000 0.968 356 N HN 0.804 nan 8.380 nan 0.000 0.547 357 A N 0.488 123.330 122.820 0.038 0.000 1.898 357 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 357 A C 0.895 178.612 177.584 0.222 0.000 1.181 357 A CA 1.147 53.298 52.037 0.190 0.000 0.620 357 A CB -0.209 18.919 19.000 0.212 0.000 0.819 357 A HN 0.682 nan 8.150 nan 0.000 0.442 358 E N 0.915 121.196 120.200 0.135 0.000 2.820 358 E HA -0.126 4.223 4.350 -0.001 0.000 0.251 358 E C -0.425 176.232 176.600 0.095 0.000 0.944 358 E CA 0.386 56.849 56.400 0.104 0.000 0.955 358 E CB -0.105 29.637 29.700 0.070 0.000 0.904 358 E HN 0.463 nan 8.360 nan 0.000 0.513 359 N N 2.479 121.226 118.700 0.078 0.000 2.725 359 N HA -0.274 4.466 4.740 -0.001 0.000 0.249 359 N C -0.505 175.047 175.510 0.070 0.000 1.103 359 N CA 0.922 54.006 53.050 0.057 0.000 0.707 359 N CB -1.509 37.006 38.487 0.046 0.000 1.043 359 N HN 0.646 nan 8.380 nan 0.000 0.553 360 N N 1.207 119.968 118.700 0.102 0.000 2.492 360 N HA -0.010 4.730 4.740 -0.001 0.000 0.260 360 N C -0.638 174.901 175.510 0.047 0.000 1.215 360 N CA 0.542 53.664 53.050 0.120 0.000 0.923 360 N CB 0.558 39.189 38.487 0.240 0.000 1.092 360 N HN 0.057 nan 8.380 nan 0.000 0.448 361 Q N 2.664 122.493 119.800 0.049 0.000 2.325 361 Q HA 0.218 4.558 4.340 -0.001 0.000 0.270 361 Q C -0.695 175.283 176.000 -0.037 0.000 1.020 361 Q CA -0.475 55.328 55.803 -0.000 0.000 0.785 361 Q CB 1.932 30.675 28.738 0.008 0.000 1.259 361 Q HN 0.561 nan 8.270 nan 0.000 0.452 362 R N 2.835 123.297 120.500 -0.063 0.000 2.196 362 R HA 0.232 4.572 4.340 -0.001 0.000 0.340 362 R C -0.566 175.618 176.300 -0.194 0.000 1.043 362 R CA -0.033 55.995 56.100 -0.120 0.000 0.883 362 R CB 0.442 30.687 30.300 -0.092 0.000 1.078 362 R HN 0.472 nan 8.270 nan 0.000 0.462 363 N N 5.265 123.688 118.700 -0.462 0.000 2.439 363 N HA 0.108 4.848 4.740 -0.001 0.000 0.249 363 N C -1.029 174.220 175.510 -0.436 0.000 1.003 363 N CA -0.043 52.697 53.050 -0.516 0.000 0.942 363 N CB 0.796 38.637 38.487 -1.076 0.000 1.115 363 N HN 0.295 nan 8.380 nan 0.000 0.505 364 F N 1.235 121.067 119.950 -0.196 0.000 2.371 364 F HA 0.245 4.771 4.527 -0.001 0.000 0.329 364 F C 1.498 177.251 175.800 -0.079 0.000 1.107 364 F CA -0.500 57.432 58.000 -0.113 0.000 1.137 364 F CB 1.150 40.035 39.000 -0.192 0.000 1.214 364 F HN 0.304 nan 8.300 nan 0.000 0.536 365 L N 2.446 123.738 121.223 0.115 0.000 2.910 365 L HA 0.550 4.890 4.340 -0.001 0.000 0.252 365 L C -0.011 176.895 176.870 0.059 0.000 1.195 365 L CA -0.070 54.819 54.840 0.082 0.000 1.003 365 L CB -0.206 41.907 42.059 0.089 0.000 1.328 365 L HN 0.649 nan 8.230 nan 0.000 0.540 366 A N -0.787 122.070 122.820 0.062 0.000 2.586 366 A HA 0.774 5.093 4.320 -0.001 0.000 0.291 366 A C -0.198 177.351 177.584 -0.057 0.000 1.062 366 A CA -0.046 51.990 52.037 -0.001 0.000 0.666 366 A CB 0.777 19.780 19.000 0.004 0.000 1.281 366 A HN 0.261 nan 8.150 nan 0.000 0.421 367 G N -1.114 107.623 108.800 -0.104 0.000 2.655 367 G HA2 0.434 4.393 3.960 -0.001 0.000 0.680 367 G HA3 0.434 4.393 3.960 -0.001 0.000 0.680 367 G C 0.544 175.328 174.900 -0.193 0.000 1.302 367 G CA 0.185 45.175 45.100 -0.184 0.000 0.872 367 G HN 2.248 nan 8.290 nan 0.000 0.540 368 G N -0.428 108.231 108.800 -0.235 0.000 3.820 368 G HA2 0.521 4.480 3.960 -0.001 0.000 0.293 368 G HA3 0.521 4.480 3.960 -0.001 0.000 0.293 368 G C 0.187 174.943 174.900 -0.239 0.000 1.152 368 G CA 0.698 45.682 45.100 -0.193 0.000 0.921 368 G HN 0.540 nan 8.290 nan 0.000 0.544 369 K N 1.012 121.200 120.400 -0.353 0.000 2.575 369 K HA 0.226 4.546 4.320 -0.001 0.000 0.255 369 K C -0.807 175.568 176.600 -0.375 0.000 0.953 369 K CA -0.485 55.588 56.287 -0.357 0.000 0.840 369 K CB 1.391 33.616 32.500 -0.458 0.000 1.303 369 K HN 0.076 nan 8.250 nan 0.000 0.438 370 D N 0.490 120.791 120.400 -0.165 0.000 3.012 370 D HA -0.217 4.422 4.640 -0.001 0.000 0.222 370 D C -0.147 176.150 176.300 -0.004 0.000 1.167 370 D CA 0.738 54.704 54.000 -0.056 0.000 0.854 370 D CB -0.558 40.243 40.800 0.001 0.000 1.107 370 D HN 0.452 nan 8.370 nan 0.000 0.421 371 N N 1.074 119.742 118.700 -0.055 0.000 2.415 371 N HA 0.153 4.892 4.740 -0.001 0.000 0.246 371 N C 0.960 176.471 175.510 0.001 0.000 1.078 371 N CA -0.006 53.038 53.050 -0.010 0.000 0.942 371 N CB 1.511 39.968 38.487 -0.051 0.000 1.140 371 N HN -0.009 nan 8.380 nan 0.000 0.501 372 V N 5.501 125.424 119.914 0.015 0.000 2.490 372 V HA -0.187 3.932 4.120 -0.001 0.000 0.250 372 V C 2.073 178.197 176.094 0.049 0.000 1.061 372 V CA 1.668 63.983 62.300 0.026 0.000 1.064 372 V CB -0.293 31.549 31.823 0.031 0.000 0.670 372 V HN 0.717 nan 8.190 nan 0.000 0.461 373 M N 0.481 120.114 119.600 0.056 0.000 2.149 373 M HA -0.139 4.340 4.480 -0.001 0.000 0.261 373 M C 2.240 178.564 176.300 0.039 0.000 1.064 373 M CA 2.208 57.549 55.300 0.067 0.000 1.102 373 M CB -0.452 32.177 32.600 0.048 0.000 1.369 373 M HN 0.674 nan 8.290 nan 0.000 0.408 374 S N -0.641 115.065 115.700 0.010 0.000 2.555 374 S HA -0.027 4.442 4.470 -0.001 0.000 0.230 374 S C 1.315 175.918 174.600 0.005 0.000 0.978 374 S CA 0.568 58.766 58.200 -0.005 0.000 0.934 374 S CB -0.185 62.998 63.200 -0.028 0.000 0.766 374 S HN 0.381 nan 8.310 nan 0.000 0.533 375 E N 0.735 120.945 120.200 0.017 0.000 2.474 375 E HA 0.321 4.670 4.350 -0.001 0.000 0.195 375 E C 0.106 176.724 176.600 0.030 0.000 1.039 375 E CA -0.054 56.357 56.400 0.018 0.000 0.881 375 E CB 0.206 29.916 29.700 0.018 0.000 0.970 375 E HN 0.650 nan 8.360 nan 0.000 0.486 376 I N 3.058 123.655 120.570 0.045 0.000 2.395 376 I HA 0.130 4.299 4.170 -0.001 0.000 0.289 376 I C -2.103 174.042 176.117 0.047 0.000 1.023 376 I CA -2.031 59.303 61.300 0.055 0.000 1.350 376 I CB 0.671 38.724 38.000 0.090 0.000 1.409 376 I HN -0.279 nan 8.210 nan 0.000 0.507 377 P HA 0.040 nan 4.420 nan 0.000 0.267 377 P C 0.701 178.024 177.300 0.039 0.000 1.200 377 P CA -0.046 63.072 63.100 0.030 0.000 0.772 377 P CB 0.451 32.165 31.700 0.023 0.000 0.855 378 T N 0.718 115.291 114.554 0.031 0.000 2.665 378 T HA -0.198 4.151 4.350 -0.001 0.000 0.268 378 T C 1.292 176.016 174.700 0.039 0.000 1.035 378 T CA 1.694 63.814 62.100 0.035 0.000 1.151 378 T CB -0.549 68.332 68.868 0.022 0.000 0.862 378 T HN 0.495 nan 8.240 nan 0.000 0.438 379 E N 0.653 120.870 120.200 0.029 0.000 2.118 379 E HA -0.060 4.290 4.350 -0.001 0.000 0.195 379 E C 2.300 178.916 176.600 0.027 0.000 0.992 379 E CA 0.573 56.987 56.400 0.024 0.000 0.804 379 E CB -0.638 29.072 29.700 0.016 0.000 0.741 379 E HN 0.317 nan 8.360 nan 0.000 0.458 380 V N 0.512 120.445 119.914 0.031 0.000 2.488 380 V HA -0.154 3.965 4.120 -0.001 0.000 0.246 380 V C 2.147 178.269 176.094 0.046 0.000 1.046 380 V CA 1.129 63.444 62.300 0.025 0.000 1.053 380 V CB -0.398 31.439 31.823 0.023 0.000 0.679 380 V HN 0.240 nan 8.190 nan 0.000 0.458 381 L N 0.097 121.379 121.223 0.100 0.000 2.083 381 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 381 L C 2.619 179.602 176.870 0.189 0.000 1.083 381 L CA 1.762 56.728 54.840 0.210 0.000 0.752 381 L CB -0.551 41.623 42.059 0.191 0.000 0.899 381 L HN 0.400 nan 8.230 nan 0.000 0.433 382 E N 0.601 120.862 120.200 0.101 0.000 2.097 382 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 382 E C 1.881 178.516 176.600 0.057 0.000 1.000 382 E CA 2.163 58.608 56.400 0.075 0.000 0.804 382 E CB -0.031 29.695 29.700 0.043 0.000 0.740 382 E HN 0.404 nan 8.360 nan 0.000 0.454 383 V N -2.706 117.220 119.914 0.021 0.000 3.174 383 V HA 0.154 4.273 4.120 -0.001 0.000 0.254 383 V C 1.999 178.042 176.094 -0.086 0.000 1.120 383 V CA 0.963 63.252 62.300 -0.019 0.000 1.114 383 V CB 0.216 32.023 31.823 -0.026 0.000 0.756 383 V HN 0.100 nan 8.190 nan 0.000 0.467 384 S N 0.204 115.817 115.700 -0.145 0.000 2.428 384 S HA 0.273 4.742 4.470 -0.001 0.000 0.230 384 S C 0.305 174.453 174.600 -0.753 0.000 1.014 384 S CA 1.036 58.962 58.200 -0.457 0.000 0.957 384 S CB -0.328 62.529 63.200 -0.572 0.000 0.784 384 S HN 0.647 nan 8.310 nan 0.000 0.499 385 F N 0.109 120.059 119.950 -0.000 0.000 2.620 385 F HA 0.401 4.928 4.527 -0.001 0.000 0.320 385 F C -1.652 174.147 175.800 -0.001 0.000 1.069 385 F CA -2.213 55.786 58.000 -0.001 0.000 0.953 385 F CB 0.858 39.858 39.000 0.000 0.000 1.322 385 F HN -0.255 nan 8.300 nan 0.000 0.479 386 P HA -0.122 nan 4.420 nan 0.000 0.213 386 P C 0.395 177.749 177.300 0.089 0.000 1.170 386 P CA 1.228 64.391 63.100 0.105 0.000 0.898 386 P CB -0.177 31.575 31.700 0.086 0.000 0.787 387 A N 0.679 123.554 122.820 0.092 0.000 2.387 387 A HA 0.311 4.631 4.320 -0.001 0.000 0.251 387 A C 0.881 178.504 177.584 0.065 0.000 1.113 387 A CA 0.270 52.341 52.037 0.056 0.000 0.794 387 A CB -0.565 18.451 19.000 0.027 0.000 1.069 387 A HN 0.396 nan 8.150 nan 0.000 0.506 388 S N -0.620 115.104 115.700 0.040 0.000 2.600 388 S HA 0.381 4.850 4.470 -0.001 0.000 0.265 388 S C 1.348 175.976 174.600 0.046 0.000 1.325 388 S CA -0.123 58.101 58.200 0.039 0.000 1.002 388 S CB 0.706 63.919 63.200 0.023 0.000 0.921 388 S HN 1.401 nan 8.310 nan 0.000 0.554 389 G N 1.282 110.111 108.800 0.048 0.000 2.433 389 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.216 389 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.216 389 G C 1.383 176.299 174.900 0.026 0.000 1.186 389 G CA 0.406 45.537 45.100 0.052 0.000 0.779 389 G HN 0.634 nan 8.290 nan 0.000 0.543 390 K N 0.509 120.918 120.400 0.015 0.000 2.147 390 K HA -0.001 4.318 4.320 -0.001 0.000 0.205 390 K C 2.267 178.863 176.600 -0.007 0.000 1.049 390 K CA 0.748 57.037 56.287 0.003 0.000 0.936 390 K CB -0.218 32.283 32.500 0.002 0.000 0.722 390 K HN 0.334 nan 8.250 nan 0.000 0.446 391 K N 0.767 121.164 120.400 -0.005 0.000 2.217 391 K HA -0.045 4.275 4.320 -0.001 0.000 0.202 391 K C 1.866 178.442 176.600 -0.039 0.000 1.051 391 K CA 0.531 56.808 56.287 -0.016 0.000 0.952 391 K CB 0.287 32.783 32.500 -0.008 0.000 0.736 391 K HN -0.135 nan 8.250 nan 0.000 0.453 392 V N 1.053 120.943 119.914 -0.041 0.000 2.407 392 V HA -0.147 3.972 4.120 -0.001 0.000 0.245 392 V C 1.753 177.792 176.094 -0.091 0.000 1.041 392 V CA 1.522 63.762 62.300 -0.100 0.000 1.040 392 V CB -0.251 31.516 31.823 -0.094 0.000 0.671 392 V HN 0.312 nan 8.190 nan 0.000 0.455 393 E N 0.204 120.376 120.200 -0.046 0.000 2.153 393 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 393 E C 2.155 178.728 176.600 -0.045 0.000 0.988 393 E CA 1.292 57.669 56.400 -0.039 0.000 0.811 393 E CB -0.099 29.590 29.700 -0.018 0.000 0.746 393 E HN 0.382 nan 8.360 nan 0.000 0.466 394 K N 1.467 121.842 120.400 -0.042 0.000 2.026 394 K HA -0.127 4.192 4.320 -0.001 0.000 0.208 394 K C 1.967 178.537 176.600 -0.051 0.000 1.048 394 K CA 0.936 57.199 56.287 -0.039 0.000 0.929 394 K CB -0.411 32.070 32.500 -0.032 0.000 0.713 394 K HN 0.129 nan 8.250 nan 0.000 0.439 395 L N 0.216 121.400 121.223 -0.066 0.000 2.083 395 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 395 L C 2.011 178.832 176.870 -0.082 0.000 1.083 395 L CA 1.251 56.045 54.840 -0.077 0.000 0.752 395 L CB -0.139 41.858 42.059 -0.104 0.000 0.899 395 L HN 0.245 nan 8.230 nan 0.000 0.433 396 I N -0.140 120.378 120.570 -0.088 0.000 2.315 396 I HA -0.283 3.887 4.170 -0.001 0.000 0.248 396 I C 2.170 178.248 176.117 -0.066 0.000 1.117 396 I CA 1.290 62.541 61.300 -0.081 0.000 1.404 396 I CB -0.207 37.748 38.000 -0.076 0.000 1.071 396 I HN 0.213 nan 8.210 nan 0.000 0.419 397 K N 0.389 120.755 120.400 -0.057 0.000 2.418 397 K HA -0.101 4.218 4.320 -0.001 0.000 0.195 397 K C 1.862 178.432 176.600 -0.050 0.000 1.035 397 K CA 0.226 56.482 56.287 -0.052 0.000 1.003 397 K CB 0.103 32.578 32.500 -0.042 0.000 0.793 397 K HN 0.010 nan 8.250 nan 0.000 0.494 398 K N 1.932 122.302 120.400 -0.049 0.000 2.015 398 K HA -0.210 4.110 4.320 -0.001 0.000 0.216 398 K C 0.894 177.467 176.600 -0.044 0.000 1.052 398 K CA 1.472 57.733 56.287 -0.043 0.000 0.937 398 K CB -0.179 32.294 32.500 -0.045 0.000 0.719 398 K HN -0.100 nan 8.250 nan 0.000 0.446 399 Q N 0.131 119.898 119.800 -0.054 0.000 2.307 399 Q HA 0.065 4.404 4.340 -0.001 0.000 0.261 399 Q C 0.268 176.228 176.000 -0.068 0.000 1.051 399 Q CA 0.381 56.149 55.803 -0.059 0.000 0.911 399 Q CB 0.863 29.560 28.738 -0.068 0.000 1.227 399 Q HN 0.352 nan 8.270 nan 0.000 0.418 400 S N 2.266 117.933 115.700 -0.055 0.000 2.478 400 S HA 0.147 4.616 4.470 -0.001 0.000 0.222 400 S C 0.494 175.051 174.600 -0.071 0.000 1.008 400 S CA -0.131 58.035 58.200 -0.057 0.000 0.928 400 S CB 0.145 63.324 63.200 -0.035 0.000 0.781 400 S HN 0.549 nan 8.310 nan 0.000 0.518 401 E N 1.806 121.968 120.200 -0.064 0.000 2.342 401 E HA 0.557 4.906 4.350 -0.001 0.000 0.257 401 E C -0.670 175.826 176.600 -0.173 0.000 1.150 401 E CA -0.078 56.282 56.400 -0.067 0.000 0.926 401 E CB 1.567 31.273 29.700 0.011 0.000 1.074 401 E HN 0.291 nan 8.360 nan 0.000 0.449 402 S N -0.267 115.291 115.700 -0.236 0.000 2.542 402 S HA 0.395 4.865 4.470 -0.001 0.000 0.293 402 S C -0.171 174.052 174.600 -0.627 0.000 1.089 402 S CA -0.543 57.313 58.200 -0.573 0.000 0.961 402 S CB 1.526 64.252 63.200 -0.791 0.000 1.062 402 S HN 0.752 nan 8.310 nan 0.000 0.483 403 H N 0.334 118.965 119.070 -0.732 0.000 4.891 403 H HA -0.249 4.307 4.556 -0.001 0.000 0.059 403 H C -0.654 174.299 175.328 -0.625 0.000 0.587 403 H CA 2.359 57.769 56.048 -1.063 0.000 0.970 403 H CB -0.874 28.101 29.762 -1.310 0.000 0.535 403 H HN 0.531 nan 8.280 nan 0.000 0.802 404 F N 1.328 121.314 119.950 0.060 0.000 2.469 404 F HA 0.562 5.088 4.527 -0.001 0.000 0.332 404 F C 0.423 176.229 175.800 0.010 0.000 1.103 404 F CA -0.261 57.808 58.000 0.114 0.000 0.979 404 F CB 1.833 40.972 39.000 0.232 0.000 1.137 404 F HN 0.242 nan 8.300 nan 0.000 0.463 405 V N -1.472 118.427 119.914 -0.024 0.000 3.167 405 V HA 0.559 4.678 4.120 -0.001 0.000 0.310 405 V C -1.030 174.453 176.094 -1.019 0.000 1.207 405 V CA -1.024 61.003 62.300 -0.454 0.000 1.059 405 V CB 1.920 33.604 31.823 -0.232 0.000 1.079 405 V HN 0.648 nan 8.190 nan 0.000 0.446 406 D N 0.808 120.453 120.400 -1.260 0.000 2.371 406 D HA 0.372 5.011 4.640 -0.001 0.000 0.256 406 D C 1.186 177.286 176.300 -0.332 0.000 1.193 406 D CA 0.634 54.101 54.000 -0.889 0.000 0.881 406 D CB 1.952 42.505 40.800 -0.411 0.000 1.143 406 D HN 0.954 nan 8.370 nan 0.000 0.473 407 A N 4.782 127.491 122.820 -0.184 0.000 2.076 407 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 407 A C 1.872 179.429 177.584 -0.046 0.000 1.160 407 A CA 1.213 53.208 52.037 -0.071 0.000 0.653 407 A CB -0.090 18.904 19.000 -0.009 0.000 0.801 407 A HN 0.594 nan 8.150 nan 0.000 0.455 408 Q N 0.132 119.908 119.800 -0.041 0.000 1.838 408 Q HA 0.130 4.470 4.340 -0.001 0.000 0.242 408 Q C -0.882 175.104 176.000 -0.024 0.000 0.966 408 Q CA 1.012 56.805 55.803 -0.016 0.000 0.870 408 Q CB -1.739 27.003 28.738 0.007 0.000 0.911 408 Q HN 0.645 nan 8.270 nan 0.000 0.434 409 P HA 0.000 nan 4.420 nan 0.000 0.216 409 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 409 P CB 0.000 31.690 31.700 -0.017 0.000 0.726