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 1vrb_1_D DATA FIRST_RESID 7 DATA SEQUENCE SVLESIISPV TXSEFLEEYW PVKPLVARGE VERFTSIPGF EKVRTLENVL DATA SEQUENCE AIYNNPVXVV GDAVIEESXX XXDRFLVSPA EALEWYEKGA ALEFDFTDLF DATA SEQUENCE IPQVRRWIEK LKAELRLPAG TSSKAIVYAA KNGGGFKAHF DAYTNLIFQI DATA SEQUENCE QGEKTWKLAK NENVSNPXQH YDLSEAPYYP DDLQSYWKGD PPKEDLPDAE DATA SEQUENCE IVNLTPGTXL YLPRGLWHST KSDQATLALN ITFGQPAWLD LXLAALRKKL DATA SEQUENCE ISDNRFRELA VNHQXXXESS KSELNGYLES LIQTLSENAE TLTPEQIFQS DATA SEQUENCE QDSDFDPYQS TQLVFRQLLT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.629 174.600 0.049 0.000 1.055 7 S CA 0.000 58.206 58.200 0.011 0.000 1.107 7 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 8 V N 0.966 120.927 119.914 0.077 0.000 3.602 8 V HA 0.360 4.479 4.120 -0.000 0.000 0.186 8 V C 0.157 176.415 176.094 0.272 0.000 1.444 8 V CA 0.639 63.054 62.300 0.193 0.000 1.221 8 V CB 0.733 32.662 31.823 0.177 0.000 1.180 8 V HN 0.447 nan 8.190 nan 0.000 0.554 9 L N -0.178 121.157 121.223 0.186 0.000 2.769 9 L HA 0.677 5.017 4.340 -0.000 0.000 0.240 9 L C 1.713 178.602 176.870 0.033 0.000 1.163 9 L CA 1.424 56.369 54.840 0.175 0.000 0.962 9 L CB 0.054 42.204 42.059 0.152 0.000 1.258 9 L HN 0.256 nan 8.230 nan 0.000 0.513 10 E N 1.027 121.237 120.200 0.018 0.000 2.150 10 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 10 E C 2.176 178.781 176.600 0.008 0.000 0.985 10 E CA 1.494 57.888 56.400 -0.011 0.000 0.814 10 E CB -0.868 28.830 29.700 -0.003 0.000 0.752 10 E HN 0.837 nan 8.360 nan 0.000 0.466 11 S N 0.196 115.917 115.700 0.036 0.000 2.402 11 S HA -0.001 4.469 4.470 -0.000 0.000 0.229 11 S C 2.131 176.765 174.600 0.057 0.000 1.021 11 S CA 1.202 59.425 58.200 0.038 0.000 0.974 11 S CB -0.263 62.962 63.200 0.042 0.000 0.800 11 S HN 0.560 nan 8.310 nan 0.000 0.484 12 I N 1.654 122.276 120.570 0.088 0.000 2.585 12 I HA 0.084 4.254 4.170 -0.000 0.000 0.254 12 I C 2.218 178.373 176.117 0.062 0.000 1.129 12 I CA 0.991 62.378 61.300 0.145 0.000 1.455 12 I CB -0.231 37.912 38.000 0.238 0.000 1.111 12 I HN 0.367 nan 8.210 nan 0.000 0.433 13 I N -2.483 118.074 120.570 -0.022 0.000 3.968 13 I HA 0.160 4.330 4.170 -0.000 0.000 0.328 13 I C 1.279 177.365 176.117 -0.052 0.000 1.290 13 I CA -0.211 61.039 61.300 -0.083 0.000 1.163 13 I CB 0.048 37.919 38.000 -0.215 0.000 1.024 13 I HN -0.043 nan 8.210 nan 0.000 0.413 14 S N 3.585 119.271 115.700 -0.023 0.000 2.573 14 S HA 0.087 4.557 4.470 -0.000 0.000 0.297 14 S C -0.983 173.612 174.600 -0.007 0.000 1.280 14 S CA -0.601 57.593 58.200 -0.010 0.000 1.061 14 S CB 0.290 63.490 63.200 -0.001 0.000 0.812 14 S HN 0.335 nan 8.310 nan 0.000 0.500 15 P HA 0.188 nan 4.420 nan 0.000 0.262 15 P C -0.414 176.896 177.300 0.017 0.000 1.304 15 P CA -0.138 62.967 63.100 0.008 0.000 0.859 15 P CB -0.060 31.649 31.700 0.014 0.000 1.310 16 V N 1.739 121.658 119.914 0.008 0.000 2.508 16 V HA 0.115 4.235 4.120 -0.000 0.000 0.281 16 V C 1.382 177.491 176.094 0.026 0.000 1.041 16 V CA -0.002 62.315 62.300 0.029 0.000 1.016 16 V CB 0.343 32.165 31.823 -0.001 0.000 0.984 16 V HN 0.233 nan 8.190 nan 0.000 0.478 20 E N 0.670 120.938 120.200 0.113 0.000 2.110 20 E HA 0.066 4.416 4.350 -0.000 0.000 0.193 20 E C 1.776 178.535 176.600 0.265 0.000 0.988 20 E CA 1.706 58.204 56.400 0.162 0.000 0.804 20 E CB -1.007 28.803 29.700 0.183 0.000 0.745 20 E HN 0.910 nan 8.360 nan 0.000 0.458 21 F N 0.630 120.647 119.950 0.111 0.000 2.075 21 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 21 F C 2.093 177.972 175.800 0.131 0.000 1.113 21 F CA 1.713 59.785 58.000 0.121 0.000 1.218 21 F CB -0.380 38.592 39.000 -0.047 0.000 0.984 21 F HN 0.171 nan 8.300 nan 0.000 0.472 22 L N 0.808 121.987 121.223 -0.075 0.000 2.109 22 L HA -0.029 4.310 4.340 -0.000 0.000 0.207 22 L C 2.824 179.673 176.870 -0.035 0.000 1.086 22 L CA 2.034 56.790 54.840 -0.140 0.000 0.760 22 L CB -1.730 40.258 42.059 -0.120 0.000 0.910 22 L HN 0.310 nan 8.230 nan 0.000 0.437 23 E N 0.175 120.376 120.200 0.001 0.000 2.006 23 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 23 E C 1.989 178.571 176.600 -0.030 0.000 0.993 23 E CA 1.554 57.952 56.400 -0.003 0.000 0.808 23 E CB -0.942 28.764 29.700 0.010 0.000 0.764 23 E HN 0.578 nan 8.360 nan 0.000 0.449 24 E N -1.798 118.386 120.200 -0.026 0.000 2.501 24 E HA 0.486 4.835 4.350 -0.000 0.000 0.200 24 E C 0.902 177.272 176.600 -0.384 0.000 1.016 24 E CA 0.175 56.467 56.400 -0.180 0.000 0.921 24 E CB -0.247 29.324 29.700 -0.216 0.000 1.034 24 E HN 0.664 nan 8.360 nan 0.000 0.468 25 Y N -2.523 117.736 120.300 -0.068 0.000 3.324 25 Y HA 0.193 4.743 4.550 -0.000 0.000 0.187 25 Y C 0.852 176.703 175.900 -0.081 0.000 0.920 25 Y CA -0.761 57.322 58.100 -0.028 0.000 1.710 25 Y CB 0.038 38.542 38.460 0.072 0.000 1.461 25 Y HN 0.410 nan 8.280 nan 0.000 0.360 26 W N 6.727 127.719 121.300 -0.514 0.000 2.314 26 W HA 0.081 4.741 4.660 -0.000 0.000 0.339 26 W C -2.206 174.150 176.519 -0.272 0.000 1.293 26 W CA -0.619 56.369 57.345 -0.595 0.000 1.288 26 W CB 0.804 29.588 29.460 -1.126 0.000 1.186 26 W HN 0.086 nan 8.180 nan 0.000 0.566 27 P HA 0.054 nan 4.420 nan 0.000 0.254 27 P C 0.163 177.224 177.300 -0.399 0.000 1.620 27 P CA 0.272 62.716 63.100 -1.092 0.000 1.050 27 P CB 0.771 31.705 31.700 -1.277 0.000 1.539 28 V N -1.411 118.412 119.914 -0.153 0.000 3.368 28 V HA 0.132 4.252 4.120 -0.000 0.000 0.255 28 V C 0.282 176.353 176.094 -0.037 0.000 1.466 28 V CA 0.693 62.921 62.300 -0.121 0.000 1.095 28 V CB 0.883 32.615 31.823 -0.151 0.000 0.899 28 V HN -0.111 nan 8.190 nan 0.000 0.440 29 K N 2.919 123.373 120.400 0.089 0.000 2.206 29 K HA 0.555 4.875 4.320 -0.000 0.000 0.264 29 K C -2.792 173.981 176.600 0.287 0.000 0.967 29 K CA -1.728 54.639 56.287 0.133 0.000 0.844 29 K CB 1.610 34.154 32.500 0.074 0.000 1.099 29 K HN 0.394 nan 8.250 nan 0.000 0.441 30 P HA 0.201 nan 4.420 nan 0.000 0.271 30 P C -0.888 176.527 177.300 0.190 0.000 1.216 30 P CA -0.508 62.594 63.100 0.004 0.000 0.771 30 P CB 0.732 32.389 31.700 -0.070 0.000 0.864 31 L N 4.428 125.746 121.223 0.159 0.000 2.346 31 L HA 0.581 4.921 4.340 -0.000 0.000 0.274 31 L C -1.209 175.623 176.870 -0.064 0.000 1.007 31 L CA -0.749 54.072 54.840 -0.030 0.000 0.818 31 L CB 2.266 44.198 42.059 -0.211 0.000 1.284 31 L HN 0.092 nan 8.230 nan 0.000 0.424 32 V N 4.351 124.212 119.914 -0.087 0.000 2.443 32 V HA 0.843 4.963 4.120 -0.000 0.000 0.293 32 V C -0.255 175.795 176.094 -0.074 0.000 1.021 32 V CA -0.234 62.012 62.300 -0.091 0.000 0.848 32 V CB 1.287 33.071 31.823 -0.066 0.000 0.998 32 V HN 0.990 nan 8.190 nan 0.000 0.424 33 A N 6.172 128.947 122.820 -0.074 0.000 2.319 33 A HA 0.864 5.184 4.320 -0.000 0.000 0.310 33 A C -0.290 177.296 177.584 0.004 0.000 1.152 33 A CA -0.717 51.293 52.037 -0.046 0.000 0.783 33 A CB 1.001 19.960 19.000 -0.069 0.000 1.184 33 A HN 0.806 nan 8.150 nan 0.000 0.474 34 R N 1.274 121.776 120.500 0.005 0.000 2.589 34 R HA 0.789 5.129 4.340 -0.000 0.000 0.293 34 R C 0.248 176.542 176.300 -0.009 0.000 0.963 34 R CA -0.165 55.940 56.100 0.009 0.000 0.905 34 R CB 2.303 32.606 30.300 0.004 0.000 1.144 34 R HN 1.042 nan 8.270 nan 0.000 0.459 35 G N -0.178 108.597 108.800 -0.043 0.000 2.341 35 G HA2 0.384 4.344 3.960 -0.000 0.000 0.299 35 G HA3 0.384 4.344 3.960 -0.000 0.000 0.299 35 G C -1.567 173.245 174.900 -0.147 0.000 1.274 35 G CA -0.482 44.569 45.100 -0.081 0.000 0.853 35 G HN 0.619 nan 8.290 nan 0.000 0.493 36 E N -0.445 119.658 120.200 -0.162 0.000 2.354 36 E HA 0.526 4.875 4.350 -0.000 0.000 0.269 36 E C 1.770 178.160 176.600 -0.350 0.000 1.036 36 E CA 0.049 56.336 56.400 -0.188 0.000 0.876 36 E CB 1.172 30.797 29.700 -0.125 0.000 1.009 36 E HN 1.985 nan 8.360 nan 0.000 0.416 37 V N -0.829 118.880 119.914 -0.341 0.000 2.568 37 V HA -0.089 4.030 4.120 -0.000 0.000 0.253 37 V C 2.414 178.288 176.094 -0.368 0.000 1.072 37 V CA 2.562 64.575 62.300 -0.477 0.000 1.084 37 V CB -1.487 30.255 31.823 -0.136 0.000 0.676 37 V HN 0.935 nan 8.190 nan 0.000 0.469 38 E N 2.636 122.709 120.200 -0.212 0.000 2.147 38 E HA -0.327 4.023 4.350 -0.000 0.000 0.199 38 E C 2.292 178.771 176.600 -0.202 0.000 1.005 38 E CA 2.430 58.739 56.400 -0.151 0.000 0.810 38 E CB -0.835 28.810 29.700 -0.092 0.000 0.736 38 E HN 0.946 nan 8.360 nan 0.000 0.460 39 R N -0.923 119.444 120.500 -0.222 0.000 2.096 39 R HA -0.046 4.293 4.340 -0.000 0.000 0.235 39 R C 1.854 178.093 176.300 -0.102 0.000 1.127 39 R CA 1.668 57.682 56.100 -0.143 0.000 0.968 39 R CB -0.550 29.696 30.300 -0.090 0.000 0.861 39 R HN 0.353 nan 8.270 nan 0.000 0.440 40 F N 2.484 122.221 119.950 -0.356 0.000 2.583 40 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 40 F C 1.951 177.093 175.800 -1.097 0.000 1.131 40 F CA 0.671 58.290 58.000 -0.634 0.000 1.467 40 F CB -1.026 37.570 39.000 -0.672 0.000 1.097 40 F HN 0.047 nan 8.300 nan 0.000 0.586 41 T N -0.539 113.619 114.554 -0.660 0.000 2.803 41 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 41 T C 2.266 176.781 174.700 -0.308 0.000 1.052 41 T CA 1.601 63.415 62.100 -0.476 0.000 1.136 41 T CB -0.424 68.326 68.868 -0.197 0.000 0.864 41 T HN 0.438 nan 8.240 nan 0.000 0.467 42 S N 1.304 116.838 115.700 -0.277 0.000 2.402 42 S HA 0.013 4.483 4.470 -0.000 0.000 0.229 42 S C 0.935 175.307 174.600 -0.380 0.000 1.021 42 S CA 0.135 58.196 58.200 -0.232 0.000 0.974 42 S CB -0.926 62.185 63.200 -0.148 0.000 0.800 42 S HN 0.481 nan 8.310 nan 0.000 0.484 43 I N 4.885 125.106 120.570 -0.582 0.000 2.845 43 I HA 0.067 4.237 4.170 -0.000 0.000 0.290 43 I C -1.990 173.824 176.117 -0.505 0.000 1.202 43 I CA -1.243 59.510 61.300 -0.912 0.000 1.406 43 I CB 0.030 37.440 38.000 -0.983 0.000 1.383 43 I HN 0.180 nan 8.210 nan 0.000 0.549 44 P HA 0.120 nan 4.420 nan 0.000 0.274 44 P C 0.751 177.989 177.300 -0.105 0.000 1.231 44 P CA 0.099 63.086 63.100 -0.189 0.000 0.790 44 P CB 1.178 32.806 31.700 -0.121 0.000 0.951 45 G N 1.539 110.320 108.800 -0.031 0.000 2.184 45 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.264 45 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.264 45 G C 0.644 175.543 174.900 -0.002 0.000 0.975 45 G CA 0.356 45.450 45.100 -0.010 0.000 0.642 45 G HN 0.494 nan 8.290 nan 0.000 0.536 46 F N 2.060 121.923 119.950 -0.145 0.000 2.095 46 F HA 0.099 4.626 4.527 -0.000 0.000 0.298 46 F C 2.741 178.496 175.800 -0.076 0.000 1.104 46 F CA 3.265 61.186 58.000 -0.131 0.000 1.232 46 F CB -0.661 38.250 39.000 -0.148 0.000 0.987 46 F HN 0.454 nan 8.300 nan 0.000 0.475 47 E N 0.702 120.952 120.200 0.084 0.000 2.095 47 E HA -0.378 3.972 4.350 -0.000 0.000 0.212 47 E C 2.006 178.524 176.600 -0.136 0.000 1.044 47 E CA 2.875 59.268 56.400 -0.012 0.000 0.857 47 E CB -1.765 27.950 29.700 0.026 0.000 0.764 47 E HN 0.567 nan 8.360 nan 0.000 0.462 48 K N 0.212 120.548 120.400 -0.108 0.000 2.589 48 K HA 0.376 4.695 4.320 -0.000 0.000 0.192 48 K C 1.662 178.166 176.600 -0.162 0.000 1.029 48 K CA 1.220 57.444 56.287 -0.104 0.000 1.031 48 K CB -0.640 31.831 32.500 -0.048 0.000 0.821 48 K HN 1.180 nan 8.250 nan 0.000 0.502 49 V N -2.837 116.915 119.914 -0.270 0.000 3.415 49 V HA 0.240 4.359 4.120 -0.000 0.000 0.315 49 V C 1.140 176.997 176.094 -0.397 0.000 1.516 49 V CA 0.092 62.209 62.300 -0.304 0.000 1.122 49 V CB -0.106 31.560 31.823 -0.261 0.000 0.988 49 V HN 0.516 nan 8.190 nan 0.000 0.474 50 R N 1.329 121.552 120.500 -0.461 0.000 2.334 50 R HA 0.364 4.704 4.340 -0.000 0.000 0.220 50 R C 0.635 176.801 176.300 -0.223 0.000 0.917 50 R CA 0.903 56.703 56.100 -0.500 0.000 1.073 50 R CB 0.001 29.894 30.300 -0.677 0.000 1.056 50 R HN 0.620 nan 8.270 nan 0.000 0.506 51 T N -4.038 110.406 114.554 -0.184 0.000 2.816 51 T HA 0.221 4.571 4.350 -0.000 0.000 0.299 51 T C 0.543 175.153 174.700 -0.150 0.000 1.230 51 T CA -1.029 61.002 62.100 -0.116 0.000 1.007 51 T CB 1.459 70.282 68.868 -0.075 0.000 1.289 51 T HN 0.032 nan 8.240 nan 0.000 0.508 52 L N 1.075 122.225 121.223 -0.122 0.000 2.017 52 L HA 0.094 4.434 4.340 -0.000 0.000 0.208 52 L C 3.394 180.161 176.870 -0.172 0.000 1.073 52 L CA 2.551 57.287 54.840 -0.174 0.000 0.745 52 L CB -1.007 40.965 42.059 -0.145 0.000 0.894 52 L HN 1.086 nan 8.230 nan 0.000 0.432 53 E N 0.029 120.165 120.200 -0.107 0.000 2.130 53 E HA -0.322 4.028 4.350 -0.000 0.000 0.196 53 E C 1.701 178.235 176.600 -0.109 0.000 0.998 53 E CA 1.942 58.291 56.400 -0.085 0.000 0.806 53 E CB -1.045 28.625 29.700 -0.051 0.000 0.738 53 E HN 0.606 nan 8.360 nan 0.000 0.459 54 N N -0.148 118.472 118.700 -0.133 0.000 2.106 54 N HA -0.076 4.664 4.740 -0.000 0.000 0.188 54 N C 1.966 177.374 175.510 -0.169 0.000 1.029 54 N CA 1.499 54.467 53.050 -0.138 0.000 0.848 54 N CB -0.393 38.002 38.487 -0.153 0.000 1.007 54 N HN 0.328 nan 8.380 nan 0.000 0.423 55 V N 1.355 121.114 119.914 -0.259 0.000 2.233 55 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 55 V C 2.267 178.202 176.094 -0.266 0.000 1.050 55 V CA 1.460 63.541 62.300 -0.365 0.000 1.010 55 V CB -0.696 30.662 31.823 -0.775 0.000 0.637 55 V HN 0.272 nan 8.190 nan 0.000 0.444 56 L N -0.008 121.071 121.223 -0.239 0.000 2.079 56 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 56 L C 2.718 179.548 176.870 -0.068 0.000 1.081 56 L CA 1.470 56.252 54.840 -0.096 0.000 0.752 56 L CB -0.842 41.184 42.059 -0.054 0.000 0.896 56 L HN 0.383 nan 8.230 nan 0.000 0.433 57 A N 0.758 123.529 122.820 -0.082 0.000 1.908 57 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 57 A C 2.191 179.729 177.584 -0.077 0.000 1.181 57 A CA 2.146 54.144 52.037 -0.065 0.000 0.627 57 A CB -0.683 18.281 19.000 -0.059 0.000 0.818 57 A HN 0.599 nan 8.150 nan 0.000 0.445 58 I N -5.290 115.225 120.570 -0.091 0.000 3.462 58 I HA 0.184 4.353 4.170 -0.000 0.000 0.290 58 I C 0.933 176.875 176.117 -0.292 0.000 1.236 58 I CA 0.020 61.256 61.300 -0.106 0.000 1.418 58 I CB -0.021 37.966 38.000 -0.022 0.000 1.102 58 I HN 0.192 nan 8.210 nan 0.000 0.441 59 Y N 4.139 124.187 120.300 -0.419 0.000 2.573 59 Y HA 0.225 4.775 4.550 -0.000 0.000 0.346 59 Y C 0.461 175.935 175.900 -0.709 0.000 1.198 59 Y CA -0.383 57.297 58.100 -0.700 0.000 1.627 59 Y CB -0.455 37.819 38.460 -0.311 0.000 1.457 59 Y HN 0.201 nan 8.280 nan 0.000 0.483 60 N N 4.760 122.635 118.700 -1.376 0.000 3.245 60 N HA 0.129 4.869 4.740 -0.000 0.000 0.296 60 N C -1.321 173.909 175.510 -0.467 0.000 1.254 60 N CA 0.168 52.829 53.050 -0.647 0.000 1.190 60 N CB -0.405 37.890 38.487 -0.319 0.000 1.460 60 N HN 0.712 nan 8.380 nan 0.000 0.538 61 N N -0.093 118.372 118.700 -0.391 0.000 3.046 61 N HA 0.311 5.051 4.740 -0.000 0.000 0.243 61 N C -2.954 172.662 175.510 0.178 0.000 1.452 61 N CA -1.315 51.693 53.050 -0.071 0.000 0.882 61 N CB 1.818 40.262 38.487 -0.072 0.000 1.425 61 N HN 0.040 nan 8.380 nan 0.000 0.517 62 P HA 0.040 nan 4.420 nan 0.000 0.267 62 P C -0.711 176.743 177.300 0.258 0.000 1.201 62 P CA 0.013 63.230 63.100 0.195 0.000 0.775 62 P CB 0.697 32.492 31.700 0.158 0.000 0.854 66 V N 3.039 122.784 119.914 -0.282 0.000 2.709 66 V HA 1.090 5.209 4.120 -0.000 0.000 0.308 66 V C 0.426 176.347 176.094 -0.289 0.000 1.062 66 V CA 0.308 62.424 62.300 -0.306 0.000 0.901 66 V CB 1.577 33.264 31.823 -0.226 0.000 1.003 66 V HN 1.351 nan 8.190 nan 0.000 0.425 67 G N 1.596 110.239 108.800 -0.261 0.000 2.315 67 G HA2 0.458 4.417 3.960 -0.000 0.000 0.294 67 G HA3 0.458 4.417 3.960 -0.000 0.000 0.294 67 G C -0.101 174.723 174.900 -0.127 0.000 1.300 67 G CA 0.491 45.484 45.100 -0.179 0.000 0.843 67 G HN 0.684 nan 8.290 nan 0.000 0.527 68 D N -0.614 119.742 120.400 -0.074 0.000 2.269 68 D HA 0.310 4.950 4.640 -0.000 0.000 0.208 68 D C 2.495 178.800 176.300 0.010 0.000 0.963 68 D CA 2.445 56.419 54.000 -0.043 0.000 0.864 68 D CB -0.178 40.600 40.800 -0.036 0.000 0.936 68 D HN 1.238 nan 8.370 nan 0.000 0.505 69 A N 0.399 123.264 122.820 0.074 0.000 1.883 69 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 69 A C 2.847 180.609 177.584 0.297 0.000 1.186 69 A CA 2.843 55.029 52.037 0.248 0.000 0.624 69 A CB -0.980 18.299 19.000 0.464 0.000 0.822 69 A HN 1.153 nan 8.150 nan 0.000 0.444 70 V N 0.223 120.118 119.914 -0.032 0.000 2.231 70 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 70 V C 2.976 179.043 176.094 -0.046 0.000 1.054 70 V CA 4.160 66.264 62.300 -0.327 0.000 1.015 70 V CB -1.607 29.738 31.823 -0.797 0.000 0.638 70 V HN 0.836 nan 8.190 nan 0.000 0.444 71 I N 0.267 120.797 120.570 -0.068 0.000 2.145 71 I HA -0.177 3.993 4.170 -0.000 0.000 0.244 71 I C 2.648 178.788 176.117 0.039 0.000 1.075 71 I CA 4.023 65.311 61.300 -0.021 0.000 1.332 71 I CB -1.783 36.195 38.000 -0.036 0.000 1.033 71 I HN 0.736 nan 8.210 nan 0.000 0.410 72 E N 0.585 120.823 120.200 0.063 0.000 2.150 72 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 72 E C 2.179 178.853 176.600 0.123 0.000 0.985 72 E CA 2.173 58.618 56.400 0.075 0.000 0.814 72 E CB -1.443 28.294 29.700 0.060 0.000 0.752 72 E HN 1.155 nan 8.360 nan 0.000 0.466 73 E N 0.136 120.465 120.200 0.215 0.000 2.209 73 E HA 0.142 4.492 4.350 -0.000 0.000 0.196 73 E C 1.730 178.456 176.600 0.209 0.000 0.993 73 E CA 1.411 57.990 56.400 0.298 0.000 0.819 73 E CB -0.845 29.231 29.700 0.627 0.000 0.745 73 E HN 0.951 nan 8.360 nan 0.000 0.477 80 R N 0.076 120.364 120.500 -0.354 0.000 2.711 80 R HA 0.922 5.261 4.340 -0.000 0.000 0.284 80 R C -0.496 175.514 176.300 -0.484 0.000 0.968 80 R CA -0.065 55.790 56.100 -0.408 0.000 0.924 80 R CB 0.747 30.932 30.300 -0.191 0.000 1.162 80 R HN 1.194 nan 8.270 nan 0.000 0.465 81 F N -1.139 118.664 119.950 -0.245 0.000 2.745 81 F HA 0.767 5.294 4.527 -0.000 0.000 0.316 81 F C -1.062 174.609 175.800 -0.214 0.000 1.155 81 F CA -2.204 55.667 58.000 -0.215 0.000 0.937 81 F CB 0.923 39.791 39.000 -0.219 0.000 1.361 81 F HN 0.388 nan 8.300 nan 0.000 0.472 82 L N 2.583 123.905 121.223 0.165 0.000 2.296 82 L HA 0.823 5.163 4.340 -0.000 0.000 0.286 82 L C -0.296 176.586 176.870 0.019 0.000 1.023 82 L CA -0.922 53.954 54.840 0.061 0.000 0.812 82 L CB 1.664 43.758 42.059 0.059 0.000 1.223 82 L HN 0.770 nan 8.230 nan 0.000 0.421 83 V N -0.302 119.620 119.914 0.013 0.000 3.156 83 V HA 0.620 4.740 4.120 -0.000 0.000 0.310 83 V C -0.298 175.823 176.094 0.045 0.000 1.234 83 V CA -0.684 61.623 62.300 0.011 0.000 1.065 83 V CB 1.893 33.725 31.823 0.016 0.000 1.088 83 V HN 0.603 nan 8.190 nan 0.000 0.451 84 S N 0.217 115.954 115.700 0.061 0.000 2.681 84 S HA 0.538 5.008 4.470 -0.000 0.000 0.270 84 S C -1.665 172.989 174.600 0.090 0.000 1.209 84 S CA -0.876 57.369 58.200 0.075 0.000 0.988 84 S CB 1.142 64.380 63.200 0.063 0.000 1.006 84 S HN 0.822 nan 8.310 nan 0.000 0.558 85 P HA -0.186 nan 4.420 nan 0.000 0.217 85 P C 1.207 178.566 177.300 0.098 0.000 1.162 85 P CA 2.074 65.247 63.100 0.121 0.000 0.901 85 P CB -0.161 31.606 31.700 0.112 0.000 0.793 86 A N -0.099 122.771 122.820 0.082 0.000 1.837 86 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 86 A C 2.369 180.018 177.584 0.108 0.000 1.210 86 A CA 2.963 55.047 52.037 0.079 0.000 0.632 86 A CB -1.838 17.198 19.000 0.061 0.000 0.843 86 A HN 0.265 nan 8.150 nan 0.000 0.448 87 E N -0.498 119.776 120.200 0.123 0.000 2.510 87 E HA 0.223 4.573 4.350 -0.000 0.000 0.202 87 E C 1.744 178.537 176.600 0.321 0.000 1.072 87 E CA 1.666 58.181 56.400 0.191 0.000 0.883 87 E CB -1.075 28.737 29.700 0.187 0.000 0.818 87 E HN 0.946 nan 8.360 nan 0.000 0.548 88 A N 0.113 123.077 122.820 0.241 0.000 1.871 88 A HA 0.198 4.518 4.320 -0.000 0.000 0.211 88 A C 2.152 179.922 177.584 0.311 0.000 1.207 88 A CA 0.920 53.117 52.037 0.267 0.000 0.620 88 A CB -0.024 19.029 19.000 0.090 0.000 0.860 88 A HN 0.405 nan 8.150 nan 0.000 0.450 89 L N 0.475 121.828 121.223 0.217 0.000 2.103 89 L HA -0.276 4.064 4.340 -0.000 0.000 0.215 89 L C 2.926 179.938 176.870 0.236 0.000 1.080 89 L CA 2.611 57.599 54.840 0.248 0.000 0.764 89 L CB -2.111 40.051 42.059 0.172 0.000 0.890 89 L HN 0.673 nan 8.230 nan 0.000 0.435 90 E N -0.869 119.423 120.200 0.153 0.000 2.058 90 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 90 E C 1.911 178.474 176.600 -0.062 0.000 0.997 90 E CA 1.854 58.241 56.400 -0.021 0.000 0.801 90 E CB -1.185 28.421 29.700 -0.157 0.000 0.746 90 E HN 0.653 nan 8.360 nan 0.000 0.450 91 W N -0.937 120.417 121.300 0.090 0.000 2.441 91 W HA 0.078 4.738 4.660 -0.000 0.000 0.302 91 W C 2.234 178.796 176.519 0.072 0.000 1.191 91 W CA 0.734 58.122 57.345 0.072 0.000 1.327 91 W CB -0.820 28.692 29.460 0.086 0.000 1.128 91 W HN 0.437 nan 8.180 nan 0.000 0.522 92 Y N 2.113 122.540 120.300 0.212 0.000 2.132 92 Y HA -0.348 4.202 4.550 -0.000 0.000 0.280 92 Y C 2.161 178.099 175.900 0.063 0.000 1.193 92 Y CA 2.232 60.395 58.100 0.105 0.000 1.157 92 Y CB -0.499 38.019 38.460 0.097 0.000 0.966 92 Y HN -0.067 nan 8.280 nan 0.000 0.511 93 E N 0.001 120.174 120.200 -0.045 0.000 2.112 93 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 93 E C 2.301 178.826 176.600 -0.125 0.000 0.979 93 E CA 1.490 57.793 56.400 -0.162 0.000 0.814 93 E CB -0.382 29.276 29.700 -0.070 0.000 0.762 93 E HN 0.549 nan 8.360 nan 0.000 0.460 94 K N 0.544 120.899 120.400 -0.076 0.000 2.589 94 K HA 0.082 4.402 4.320 -0.000 0.000 0.192 94 K C 1.424 178.003 176.600 -0.035 0.000 1.029 94 K CA 1.081 57.323 56.287 -0.075 0.000 1.031 94 K CB -0.819 31.606 32.500 -0.125 0.000 0.821 94 K HN 0.320 nan 8.250 nan 0.000 0.502 95 G N -2.361 106.408 108.800 -0.052 0.000 2.195 95 G HA2 0.117 4.077 3.960 -0.000 0.000 0.224 95 G HA3 0.117 4.077 3.960 -0.000 0.000 0.224 95 G C 0.482 175.361 174.900 -0.034 0.000 0.990 95 G CA 0.367 45.429 45.100 -0.064 0.000 0.639 95 G HN 1.492 nan 8.290 nan 0.000 0.514 96 A N 0.239 123.084 122.820 0.043 0.000 2.354 96 A HA 0.884 5.203 4.320 -0.000 0.000 0.269 96 A C 0.734 178.339 177.584 0.036 0.000 1.109 96 A CA 0.884 52.937 52.037 0.025 0.000 0.800 96 A CB 0.807 19.875 19.000 0.113 0.000 1.045 96 A HN 2.026 nan 8.150 nan 0.000 0.489 97 A N 2.159 124.927 122.820 -0.086 0.000 2.331 97 A HA 0.608 4.927 4.320 -0.000 0.000 0.283 97 A C -0.156 177.416 177.584 -0.020 0.000 1.142 97 A CA -0.409 51.599 52.037 -0.048 0.000 0.812 97 A CB 0.105 18.943 19.000 -0.269 0.000 1.074 97 A HN 0.804 nan 8.150 nan 0.000 0.497 98 L N 1.759 123.003 121.223 0.035 0.000 2.289 98 L HA 0.453 4.793 4.340 -0.000 0.000 0.285 98 L C 0.407 177.183 176.870 -0.158 0.000 1.049 98 L CA -0.196 54.544 54.840 -0.167 0.000 0.804 98 L CB 1.339 43.208 42.059 -0.315 0.000 1.195 98 L HN 0.849 nan 8.230 nan 0.000 0.428 99 E N 3.092 123.104 120.200 -0.313 0.000 2.182 99 E HA 0.303 4.653 4.350 -0.000 0.000 0.258 99 E C -1.390 174.880 176.600 -0.551 0.000 0.879 99 E CA -0.667 55.538 56.400 -0.325 0.000 0.754 99 E CB 0.945 30.627 29.700 -0.030 0.000 1.162 99 E HN 0.356 nan 8.360 nan 0.000 0.419 100 F N 3.434 123.152 119.950 -0.387 0.000 2.499 100 F HA 0.169 4.696 4.527 -0.000 0.000 0.353 100 F C 0.624 176.332 175.800 -0.155 0.000 1.196 100 F CA -0.605 57.099 58.000 -0.493 0.000 1.244 100 F CB 0.162 38.725 39.000 -0.727 0.000 1.577 100 F HN 0.399 nan 8.300 nan 0.000 0.614 101 D N 1.363 121.840 120.400 0.127 0.000 2.399 101 D HA 0.058 4.698 4.640 -0.000 0.000 0.241 101 D C 0.441 176.988 176.300 0.412 0.000 1.133 101 D CA 0.378 54.462 54.000 0.140 0.000 0.890 101 D CB 0.282 41.184 40.800 0.171 0.000 1.201 101 D HN 0.360 nan 8.370 nan 0.000 0.432 102 F N 0.848 120.892 119.950 0.156 0.000 3.091 102 F HA -0.291 4.236 4.527 -0.000 0.000 0.288 102 F C 1.924 177.828 175.800 0.174 0.000 0.907 102 F CA 0.828 58.895 58.000 0.111 0.000 1.028 102 F CB -2.199 36.830 39.000 0.049 0.000 1.022 102 F HN 0.382 nan 8.300 nan 0.000 0.665 103 T N -0.298 114.496 114.554 0.400 0.000 2.778 103 T HA -0.256 4.094 4.350 -0.000 0.000 0.269 103 T C 1.826 176.677 174.700 0.252 0.000 1.050 103 T CA 1.652 64.046 62.100 0.490 0.000 1.137 103 T CB -0.280 68.769 68.868 0.301 0.000 0.860 103 T HN 0.697 nan 8.240 nan 0.000 0.468 104 D N 1.714 122.193 120.400 0.131 0.000 2.221 104 D HA -0.135 4.505 4.640 -0.000 0.000 0.204 104 D C 2.054 178.324 176.300 -0.051 0.000 0.982 104 D CA 0.735 54.772 54.000 0.062 0.000 0.857 104 D CB -0.726 40.118 40.800 0.074 0.000 0.934 104 D HN 0.365 nan 8.370 nan 0.000 0.475 105 L N -0.754 120.338 121.223 -0.218 0.000 2.089 105 L HA -0.213 4.126 4.340 -0.000 0.000 0.213 105 L C 1.881 178.395 176.870 -0.594 0.000 1.079 105 L CA 1.360 55.872 54.840 -0.547 0.000 0.758 105 L CB -0.427 40.999 42.059 -1.054 0.000 0.891 105 L HN -0.006 nan 8.230 nan 0.000 0.433 106 F N -1.056 118.904 119.950 0.016 0.000 2.695 106 F HA 0.257 4.783 4.527 -0.000 0.000 0.303 106 F C 0.702 176.506 175.800 0.006 0.000 1.091 106 F CA -0.050 57.945 58.000 -0.008 0.000 1.300 106 F CB 0.131 39.114 39.000 -0.028 0.000 1.071 106 F HN -0.116 nan 8.300 nan 0.000 0.578 107 I N 1.565 122.198 120.570 0.104 0.000 2.867 107 I HA 0.199 4.369 4.170 -0.000 0.000 0.282 107 I C -1.872 174.270 176.117 0.042 0.000 1.437 107 I CA -1.359 59.983 61.300 0.071 0.000 0.918 107 I CB 1.166 39.206 38.000 0.066 0.000 1.612 107 I HN -0.260 nan 8.210 nan 0.000 0.592 108 P HA -0.211 nan 4.420 nan 0.000 0.226 108 P C 1.669 178.995 177.300 0.043 0.000 1.146 108 P CA 1.324 64.438 63.100 0.023 0.000 0.773 108 P CB 0.270 31.976 31.700 0.009 0.000 0.772 109 Q N 0.917 120.741 119.800 0.040 0.000 2.047 109 Q HA -0.228 4.112 4.340 -0.000 0.000 0.211 109 Q C 2.420 178.466 176.000 0.078 0.000 1.005 109 Q CA 3.130 58.960 55.803 0.044 0.000 0.866 109 Q CB -2.277 26.474 28.738 0.022 0.000 0.938 109 Q HN 0.327 nan 8.270 nan 0.000 0.414 110 V N -2.021 117.942 119.914 0.082 0.000 2.982 110 V HA -0.191 3.929 4.120 -0.000 0.000 0.265 110 V C 2.182 178.396 176.094 0.200 0.000 1.122 110 V CA 1.868 64.265 62.300 0.162 0.000 1.143 110 V CB -0.779 31.133 31.823 0.148 0.000 0.726 110 V HN 0.560 nan 8.190 nan 0.000 0.507 111 R N 0.774 121.351 120.500 0.130 0.000 2.073 111 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 111 R C 2.823 179.197 176.300 0.124 0.000 1.120 111 R CA 1.862 58.029 56.100 0.112 0.000 0.967 111 R CB -0.657 29.686 30.300 0.072 0.000 0.862 111 R HN 0.662 nan 8.270 nan 0.000 0.436 112 R N 0.473 121.049 120.500 0.127 0.000 2.083 112 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 112 R C 1.796 178.202 176.300 0.177 0.000 1.137 112 R CA 1.924 58.099 56.100 0.125 0.000 0.951 112 R CB -1.868 28.500 30.300 0.113 0.000 0.851 112 R HN 0.471 nan 8.270 nan 0.000 0.434 113 W N 0.660 121.974 121.300 0.023 0.000 2.378 113 W HA 0.003 4.663 4.660 -0.000 0.000 0.313 113 W C 2.057 178.613 176.519 0.060 0.000 1.197 113 W CA 1.613 58.973 57.345 0.025 0.000 1.304 113 W CB -0.433 29.029 29.460 0.003 0.000 1.148 113 W HN 0.249 nan 8.180 nan 0.000 0.494 114 I N 0.455 121.090 120.570 0.109 0.000 2.151 114 I HA -0.395 3.775 4.170 -0.000 0.000 0.243 114 I C 2.430 178.561 176.117 0.024 0.000 1.080 114 I CA 2.086 63.380 61.300 -0.011 0.000 1.339 114 I CB -1.157 36.886 38.000 0.071 0.000 1.039 114 I HN -0.109 nan 8.210 nan 0.000 0.409 115 E N 0.434 120.664 120.200 0.051 0.000 2.085 115 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 115 E C 2.495 179.081 176.600 -0.023 0.000 0.994 115 E CA 1.729 58.154 56.400 0.042 0.000 0.801 115 E CB -0.602 29.129 29.700 0.051 0.000 0.743 115 E HN 0.727 nan 8.360 nan 0.000 0.453 116 K N 0.282 120.648 120.400 -0.056 0.000 2.062 116 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 116 K C 2.105 178.586 176.600 -0.199 0.000 1.051 116 K CA 1.417 57.645 56.287 -0.099 0.000 0.941 116 K CB -1.074 31.392 32.500 -0.056 0.000 0.719 116 K HN 0.217 nan 8.250 nan 0.000 0.440 117 L N 1.582 122.610 121.223 -0.324 0.000 2.013 117 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 117 L C 2.665 179.325 176.870 -0.351 0.000 1.073 117 L CA 2.886 57.492 54.840 -0.390 0.000 0.753 117 L CB -0.334 41.398 42.059 -0.545 0.000 0.890 117 L HN 0.608 nan 8.230 nan 0.000 0.432 118 K N -1.012 119.225 120.400 -0.272 0.000 2.365 118 K HA -0.037 4.282 4.320 -0.000 0.000 0.199 118 K C 1.756 178.192 176.600 -0.273 0.000 1.045 118 K CA 1.057 57.102 56.287 -0.403 0.000 0.962 118 K CB -0.241 32.135 32.500 -0.207 0.000 0.759 118 K HN 0.318 nan 8.250 nan 0.000 0.469 119 A N 1.518 124.224 122.820 -0.190 0.000 1.873 119 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 119 A C 2.318 179.784 177.584 -0.196 0.000 1.186 119 A CA 1.881 53.825 52.037 -0.154 0.000 0.616 119 A CB -1.015 17.922 19.000 -0.104 0.000 0.823 119 A HN 0.616 nan 8.150 nan 0.000 0.442 120 E N 0.028 120.092 120.200 -0.227 0.000 2.077 120 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 120 E C 1.833 178.244 176.600 -0.316 0.000 0.989 120 E CA 1.407 57.668 56.400 -0.231 0.000 0.800 120 E CB -0.942 28.627 29.700 -0.220 0.000 0.746 120 E HN 0.609 nan 8.360 nan 0.000 0.452 121 L N -1.418 119.530 121.223 -0.458 0.000 2.551 121 L HA 0.165 4.505 4.340 -0.000 0.000 0.228 121 L C 2.359 178.943 176.870 -0.477 0.000 1.153 121 L CA 0.770 55.201 54.840 -0.682 0.000 0.851 121 L CB -0.438 41.011 42.059 -1.017 0.000 0.959 121 L HN 0.583 nan 8.230 nan 0.000 0.451 122 R N -0.388 119.927 120.500 -0.308 0.000 3.878 122 R HA -0.192 4.148 4.340 -0.000 0.000 0.330 122 R C 0.116 176.325 176.300 -0.151 0.000 1.186 122 R CA 1.371 57.355 56.100 -0.194 0.000 0.885 122 R CB -3.277 26.927 30.300 -0.160 0.000 1.377 122 R HN 0.328 nan 8.270 nan 0.000 0.523 123 L N 0.423 121.539 121.223 -0.179 0.000 2.439 123 L HA 0.354 4.694 4.340 -0.000 0.000 0.269 123 L C -1.381 175.449 176.870 -0.067 0.000 1.179 123 L CA -1.796 52.977 54.840 -0.111 0.000 0.828 123 L CB 0.649 42.629 42.059 -0.131 0.000 1.106 123 L HN 0.162 nan 8.230 nan 0.000 0.467 124 P HA -0.125 nan 4.420 nan 0.000 0.268 124 P C 0.080 177.441 177.300 0.100 0.000 1.189 124 P CA 0.272 63.388 63.100 0.027 0.000 0.771 124 P CB 0.599 32.294 31.700 -0.009 0.000 0.822 125 A N 3.462 126.360 122.820 0.130 0.000 1.851 125 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 125 A C 2.003 179.675 177.584 0.147 0.000 1.195 125 A CA 2.009 54.111 52.037 0.109 0.000 0.622 125 A CB -1.642 17.414 19.000 0.093 0.000 0.831 125 A HN 0.641 nan 8.150 nan 0.000 0.444 126 G N -0.239 108.689 108.800 0.214 0.000 3.295 126 G HA2 0.326 4.286 3.960 -0.000 0.000 0.231 126 G HA3 0.326 4.286 3.960 -0.000 0.000 0.231 126 G C 0.226 175.296 174.900 0.283 0.000 1.277 126 G CA 0.410 45.605 45.100 0.159 0.000 1.013 126 G HN 0.350 nan 8.290 nan 0.000 0.509 127 T N 1.595 116.320 114.554 0.285 0.000 2.870 127 T HA 0.333 4.683 4.350 -0.000 0.000 0.300 127 T C 0.995 175.865 174.700 0.284 0.000 0.989 127 T CA -0.124 62.151 62.100 0.292 0.000 1.139 127 T CB 1.064 70.054 68.868 0.204 0.000 0.920 127 T HN 0.400 nan 8.240 nan 0.000 0.537 128 S N 2.773 118.656 115.700 0.304 0.000 2.572 128 S HA 0.528 4.998 4.470 -0.000 0.000 0.279 128 S C 0.111 174.897 174.600 0.311 0.000 1.341 128 S CA -0.797 57.581 58.200 0.297 0.000 1.043 128 S CB 0.563 63.964 63.200 0.335 0.000 0.887 128 S HN 0.957 nan 8.310 nan 0.000 0.516 129 S N 0.915 116.751 115.700 0.226 0.000 2.543 129 S HA 0.759 5.228 4.470 -0.000 0.000 0.274 129 S C -1.260 173.354 174.600 0.023 0.000 1.149 129 S CA -1.003 57.258 58.200 0.101 0.000 0.866 129 S CB 1.375 64.700 63.200 0.209 0.000 1.111 129 S HN 1.315 nan 8.310 nan 0.000 0.457 130 K N 0.317 120.639 120.400 -0.129 0.000 2.755 130 K HA 0.775 5.094 4.320 -0.000 0.000 0.294 130 K C -1.509 175.004 176.600 -0.145 0.000 1.060 130 K CA -1.102 55.105 56.287 -0.134 0.000 0.845 130 K CB 0.848 33.115 32.500 -0.389 0.000 1.539 130 K HN 1.268 nan 8.250 nan 0.000 0.379 131 A N 1.018 123.785 122.820 -0.088 0.000 2.355 131 A HA 0.820 5.139 4.320 -0.000 0.000 0.324 131 A C -0.819 176.722 177.584 -0.071 0.000 1.117 131 A CA -0.979 51.033 52.037 -0.040 0.000 0.785 131 A CB 0.586 19.605 19.000 0.032 0.000 1.254 131 A HN 0.583 nan 8.150 nan 0.000 0.453 132 I N 1.808 122.340 120.570 -0.063 0.000 2.533 132 I HA 0.400 4.569 4.170 -0.000 0.000 0.290 132 I C -0.844 175.190 176.117 -0.138 0.000 1.056 132 I CA -0.983 60.229 61.300 -0.147 0.000 1.057 132 I CB 2.078 39.917 38.000 -0.268 0.000 1.240 132 I HN 0.292 nan 8.210 nan 0.000 0.423 133 V N 5.813 125.652 119.914 -0.125 0.000 2.472 133 V HA 0.379 4.498 4.120 -0.000 0.000 0.290 133 V C -0.944 175.090 176.094 -0.099 0.000 1.037 133 V CA -0.497 61.777 62.300 -0.044 0.000 0.908 133 V CB 1.424 33.201 31.823 -0.075 0.000 0.985 133 V HN 0.412 nan 8.190 nan 0.000 0.454 134 Y N 2.063 122.508 120.300 0.242 0.000 2.393 134 Y HA 0.763 5.312 4.550 -0.000 0.000 0.341 134 Y C 0.259 176.290 175.900 0.219 0.000 0.988 134 Y CA -0.649 57.598 58.100 0.245 0.000 1.078 134 Y CB 2.174 40.794 38.460 0.266 0.000 1.203 134 Y HN 0.718 nan 8.280 nan 0.000 0.453 135 A N 2.010 125.042 122.820 0.353 0.000 2.381 135 A HA 0.930 5.250 4.320 -0.000 0.000 0.299 135 A C -1.403 176.386 177.584 0.341 0.000 1.049 135 A CA -0.394 51.803 52.037 0.266 0.000 0.715 135 A CB 0.829 19.878 19.000 0.081 0.000 1.222 135 A HN 0.890 nan 8.150 nan 0.000 0.428 136 A N 1.950 125.004 122.820 0.389 0.000 2.475 136 A HA 0.781 5.101 4.320 -0.000 0.000 0.301 136 A C 0.227 177.937 177.584 0.210 0.000 1.059 136 A CA -0.378 51.840 52.037 0.301 0.000 0.710 136 A CB 1.638 20.696 19.000 0.096 0.000 1.288 136 A HN 0.790 nan 8.150 nan 0.000 0.408 137 K N 0.039 120.395 120.400 -0.073 0.000 2.313 137 K HA 0.158 4.478 4.320 -0.000 0.000 0.215 137 K C -0.411 176.092 176.600 -0.162 0.000 1.109 137 K CA 0.321 56.445 56.287 -0.270 0.000 0.895 137 K CB 0.385 32.385 32.500 -0.834 0.000 1.234 137 K HN 0.627 nan 8.250 nan 0.000 0.463 138 N N 0.356 118.960 118.700 -0.160 0.000 2.707 138 N HA 0.202 4.942 4.740 -0.000 0.000 0.249 138 N C -1.587 173.872 175.510 -0.085 0.000 1.299 138 N CA -0.120 52.862 53.050 -0.113 0.000 0.769 138 N CB 1.503 39.911 38.487 -0.131 0.000 1.236 138 N HN 0.234 nan 8.380 nan 0.000 0.524 139 G N 0.531 109.290 108.800 -0.068 0.000 3.818 139 G HA2 0.506 4.466 3.960 -0.000 0.000 0.338 139 G HA3 0.506 4.466 3.960 -0.000 0.000 0.338 139 G C 0.446 175.303 174.900 -0.072 0.000 1.318 139 G CA -0.396 44.668 45.100 -0.060 0.000 1.242 139 G HN 0.409 nan 8.290 nan 0.000 0.493 140 G N -0.193 108.554 108.800 -0.088 0.000 2.557 140 G HA2 0.773 4.733 3.960 -0.000 0.000 0.292 140 G HA3 0.773 4.733 3.960 -0.000 0.000 0.292 140 G C 0.385 175.184 174.900 -0.169 0.000 1.237 140 G CA 0.057 45.083 45.100 -0.124 0.000 0.978 140 G HN 1.122 nan 8.290 nan 0.000 0.498 141 G N -1.885 106.750 108.800 -0.275 0.000 2.435 141 G HA2 0.442 4.402 3.960 -0.000 0.000 0.228 141 G HA3 0.442 4.402 3.960 -0.000 0.000 0.228 141 G C -1.701 172.826 174.900 -0.622 0.000 1.198 141 G CA -0.872 43.990 45.100 -0.396 0.000 0.948 141 G HN 0.505 nan 8.290 nan 0.000 0.487 142 F N 1.453 121.317 119.950 -0.143 0.000 2.508 142 F HA 0.726 5.252 4.527 -0.000 0.000 0.325 142 F C 0.873 176.632 175.800 -0.068 0.000 1.090 142 F CA -0.097 57.836 58.000 -0.112 0.000 0.945 142 F CB 1.807 40.755 39.000 -0.086 0.000 1.156 142 F HN 0.750 nan 8.300 nan 0.000 0.463 143 K N 0.937 121.407 120.400 0.116 0.000 2.118 143 K HA 0.783 5.103 4.320 -0.000 0.000 0.240 143 K C 0.058 176.764 176.600 0.175 0.000 1.035 143 K CA -0.321 56.014 56.287 0.079 0.000 0.899 143 K CB -0.109 32.398 32.500 0.011 0.000 1.085 143 K HN 0.991 nan 8.250 nan 0.000 0.498 144 A N 2.533 125.425 122.820 0.120 0.000 2.545 144 A HA 0.472 4.791 4.320 -0.000 0.000 0.253 144 A C 0.338 178.087 177.584 0.275 0.000 1.074 144 A CA 0.728 52.862 52.037 0.160 0.000 0.760 144 A CB -0.937 18.100 19.000 0.063 0.000 1.005 144 A HN 1.314 nan 8.150 nan 0.000 0.506 145 H N 0.244 119.346 119.070 0.053 0.000 2.967 145 H HA 0.622 5.178 4.556 -0.000 0.000 0.318 145 H C -1.452 173.820 175.328 -0.094 0.000 1.375 145 H CA -1.175 54.866 56.048 -0.011 0.000 1.132 145 H CB 0.515 30.129 29.762 -0.247 0.000 1.848 145 H HN 0.724 nan 8.280 nan 0.000 0.524 146 F N 0.273 120.072 119.950 -0.251 0.000 2.538 146 F HA 0.686 5.212 4.527 -0.000 0.000 0.325 146 F C -0.790 175.009 175.800 -0.002 0.000 1.066 146 F CA -0.923 56.915 58.000 -0.271 0.000 0.946 146 F CB 1.309 40.007 39.000 -0.502 0.000 1.199 146 F HN 0.338 nan 8.300 nan 0.000 0.473 147 D N 0.724 121.388 120.400 0.440 0.000 2.384 147 D HA 0.513 5.153 4.640 -0.000 0.000 0.250 147 D C -0.067 176.485 176.300 0.419 0.000 1.029 147 D CA -0.458 53.834 54.000 0.486 0.000 0.990 147 D CB 2.038 43.149 40.800 0.519 0.000 1.175 147 D HN 0.755 nan 8.370 nan 0.000 0.532 148 A N 0.348 123.377 122.820 0.347 0.000 2.465 148 A HA 0.184 4.503 4.320 -0.000 0.000 0.255 148 A C -0.451 177.061 177.584 -0.120 0.000 1.274 148 A CA 0.010 52.099 52.037 0.087 0.000 0.920 148 A CB -0.175 18.835 19.000 0.016 0.000 1.033 148 A HN 0.384 nan 8.150 nan 0.000 0.516 149 Y N -1.264 119.122 120.300 0.144 0.000 2.488 149 Y HA 0.591 5.141 4.550 -0.000 0.000 0.325 149 Y C 0.920 176.885 175.900 0.108 0.000 1.204 149 Y CA -0.557 57.621 58.100 0.130 0.000 1.229 149 Y CB 1.053 39.595 38.460 0.137 0.000 1.274 149 Y HN -0.003 nan 8.280 nan 0.000 0.493 150 T N 1.720 116.458 114.554 0.308 0.000 2.925 150 T HA 0.482 4.831 4.350 -0.000 0.000 0.285 150 T C -0.935 173.959 174.700 0.325 0.000 1.021 150 T CA -0.768 61.488 62.100 0.261 0.000 1.042 150 T CB 0.200 69.244 68.868 0.294 0.000 1.037 150 T HN 0.652 nan 8.240 nan 0.000 0.481 151 N N 3.836 122.681 118.700 0.242 0.000 2.371 151 N HA 0.343 5.083 4.740 -0.000 0.000 0.291 151 N C -1.275 174.375 175.510 0.233 0.000 1.053 151 N CA -0.516 52.658 53.050 0.207 0.000 0.870 151 N CB 2.171 40.722 38.487 0.106 0.000 1.503 151 N HN 0.487 nan 8.380 nan 0.000 0.485 152 L N 2.948 124.337 121.223 0.276 0.000 2.290 152 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 152 L C 0.007 176.908 176.870 0.052 0.000 1.078 152 L CA -0.148 54.782 54.840 0.150 0.000 0.815 152 L CB 0.686 42.898 42.059 0.255 0.000 1.162 152 L HN 0.352 nan 8.230 nan 0.000 0.435 153 I N 3.274 123.701 120.570 -0.237 0.000 2.465 153 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 153 I C -1.099 174.829 176.117 -0.316 0.000 1.014 153 I CA -0.437 60.813 61.300 -0.082 0.000 1.093 153 I CB 1.816 39.774 38.000 -0.071 0.000 1.267 153 I HN 0.321 nan 8.210 nan 0.000 0.431 154 F N 3.856 123.819 119.950 0.022 0.000 2.499 154 F HA 0.381 4.908 4.527 -0.000 0.000 0.333 154 F C 0.124 176.047 175.800 0.205 0.000 1.138 154 F CA -0.826 57.141 58.000 -0.055 0.000 0.945 154 F CB 1.380 40.138 39.000 -0.404 0.000 1.181 154 F HN 0.297 nan 8.300 nan 0.000 0.435 155 Q N 4.072 124.159 119.800 0.479 0.000 2.314 155 Q HA 0.304 4.644 4.340 -0.000 0.000 0.257 155 Q C 0.866 177.164 176.000 0.496 0.000 0.975 155 Q CA -0.038 56.019 55.803 0.424 0.000 0.933 155 Q CB 1.869 30.806 28.738 0.331 0.000 1.195 155 Q HN 0.665 nan 8.270 nan 0.000 0.426 156 I N 0.636 121.446 120.570 0.400 0.000 2.429 156 I HA -0.046 4.124 4.170 -0.000 0.000 0.247 156 I C 0.424 176.689 176.117 0.247 0.000 1.099 156 I CA 0.953 62.477 61.300 0.373 0.000 1.422 156 I CB 0.044 38.169 38.000 0.209 0.000 1.112 156 I HN 0.503 nan 8.210 nan 0.000 0.430 157 Q N -0.428 119.493 119.800 0.202 0.000 2.268 157 Q HA 0.568 4.908 4.340 -0.000 0.000 0.266 157 Q C -0.415 175.679 176.000 0.157 0.000 1.006 157 Q CA 0.275 56.169 55.803 0.150 0.000 0.824 157 Q CB 2.433 31.240 28.738 0.115 0.000 1.306 157 Q HN 0.517 nan 8.270 nan 0.000 0.424 158 G N 0.596 109.477 108.800 0.134 0.000 2.710 158 G HA2 0.238 4.198 3.960 -0.000 0.000 0.668 158 G HA3 0.238 4.198 3.960 -0.000 0.000 0.668 158 G C -1.078 173.906 174.900 0.139 0.000 1.320 158 G CA -0.357 44.819 45.100 0.127 0.000 0.860 158 G HN 0.814 nan 8.290 nan 0.000 0.538 159 E N -0.044 120.232 120.200 0.126 0.000 2.155 159 E HA 0.726 5.076 4.350 -0.000 0.000 0.264 159 E C -0.079 176.610 176.600 0.147 0.000 0.886 159 E CA -0.142 56.341 56.400 0.137 0.000 0.752 159 E CB 1.563 31.327 29.700 0.107 0.000 1.133 159 E HN 0.799 nan 8.360 nan 0.000 0.414 160 K N 1.612 122.135 120.400 0.206 0.000 2.240 160 K HA 0.408 4.727 4.320 -0.000 0.000 0.271 160 K C -0.640 176.103 176.600 0.238 0.000 1.018 160 K CA -0.403 55.999 56.287 0.191 0.000 0.874 160 K CB 1.168 33.829 32.500 0.268 0.000 1.098 160 K HN 0.512 nan 8.250 nan 0.000 0.458 161 T N 4.310 118.932 114.554 0.113 0.000 2.723 161 T HA 0.171 4.521 4.350 -0.000 0.000 0.297 161 T C -0.840 173.919 174.700 0.098 0.000 0.925 161 T CA -0.212 61.974 62.100 0.144 0.000 1.030 161 T CB -0.011 68.906 68.868 0.082 0.000 0.905 161 T HN 0.373 nan 8.240 nan 0.000 0.502 162 W N 2.769 124.116 121.300 0.079 0.000 2.449 162 W HA 0.496 5.156 4.660 -0.000 0.000 0.331 162 W C 0.460 177.030 176.519 0.085 0.000 1.119 162 W CA -0.923 56.477 57.345 0.092 0.000 1.240 162 W CB 0.842 30.351 29.460 0.081 0.000 1.251 162 W HN 0.346 nan 8.180 nan 0.000 0.576 163 K N 2.429 123.017 120.400 0.313 0.000 2.244 163 K HA 0.591 4.911 4.320 -0.000 0.000 0.260 163 K C -1.190 175.595 176.600 0.309 0.000 0.951 163 K CA -0.927 55.504 56.287 0.239 0.000 0.826 163 K CB 1.386 33.975 32.500 0.149 0.000 1.108 163 K HN 0.060 nan 8.250 nan 0.000 0.433 164 L N 1.719 123.089 121.223 0.244 0.000 2.342 164 L HA 0.743 5.083 4.340 -0.000 0.000 0.271 164 L C -0.723 176.264 176.870 0.195 0.000 1.008 164 L CA -0.604 54.376 54.840 0.234 0.000 0.818 164 L CB 1.817 43.969 42.059 0.154 0.000 1.296 164 L HN 0.821 nan 8.230 nan 0.000 0.427 165 A N 1.912 124.878 122.820 0.244 0.000 2.488 165 A HA 0.498 4.818 4.320 -0.000 0.000 0.295 165 A C -0.775 176.972 177.584 0.273 0.000 1.045 165 A CA -0.762 51.414 52.037 0.231 0.000 0.703 165 A CB 1.161 20.285 19.000 0.207 0.000 1.271 165 A HN 0.596 nan 8.150 nan 0.000 0.400 166 K N 1.760 122.258 120.400 0.163 0.000 2.489 166 K HA -0.013 4.307 4.320 -0.000 0.000 0.278 166 K C -0.266 176.441 176.600 0.179 0.000 1.000 166 K CA -0.072 56.276 56.287 0.103 0.000 1.012 166 K CB 0.314 32.841 32.500 0.044 0.000 0.903 166 K HN 0.685 nan 8.250 nan 0.000 0.485 167 N N 3.451 122.172 118.700 0.035 0.000 2.439 167 N HA 0.010 4.749 4.740 -0.000 0.000 0.243 167 N C 0.196 175.665 175.510 -0.069 0.000 1.088 167 N CA 0.404 53.432 53.050 -0.037 0.000 0.940 167 N CB 1.272 39.481 38.487 -0.462 0.000 1.180 167 N HN 0.758 nan 8.380 nan 0.000 0.505 168 E N 2.582 122.797 120.200 0.026 0.000 2.489 168 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 168 E C 0.874 177.359 176.600 -0.193 0.000 1.057 168 E CA 0.493 56.853 56.400 -0.067 0.000 0.866 168 E CB -0.571 29.118 29.700 -0.018 0.000 0.916 168 E HN 0.761 nan 8.360 nan 0.000 0.500 169 N N -0.765 117.736 118.700 -0.333 0.000 2.439 169 N HA 0.184 4.924 4.740 -0.000 0.000 0.176 169 N C 0.307 175.378 175.510 -0.732 0.000 1.029 169 N CA 0.935 53.535 53.050 -0.750 0.000 0.886 169 N CB 1.365 38.999 38.487 -1.422 0.000 1.057 169 N HN 0.376 nan 8.380 nan 0.000 0.437 170 V N -3.716 115.854 119.914 -0.574 0.000 2.808 170 V HA 0.812 4.932 4.120 -0.000 0.000 0.308 170 V C 0.572 176.481 176.094 -0.307 0.000 1.099 170 V CA -0.525 61.561 62.300 -0.356 0.000 0.920 170 V CB 1.185 32.831 31.823 -0.295 0.000 1.014 170 V HN 0.060 nan 8.190 nan 0.000 0.425 171 S N 2.103 117.686 115.700 -0.194 0.000 2.371 171 S HA 0.202 4.672 4.470 -0.000 0.000 0.221 171 S C 0.930 175.388 174.600 -0.237 0.000 1.036 171 S CA 0.942 59.017 58.200 -0.209 0.000 0.965 171 S CB -0.155 62.945 63.200 -0.166 0.000 0.845 171 S HN 0.795 nan 8.310 nan 0.000 0.475 172 N N 1.739 120.296 118.700 -0.238 0.000 2.726 172 N HA 0.306 5.046 4.740 -0.000 0.000 0.253 172 N C -2.984 172.398 175.510 -0.214 0.000 1.530 172 N CA -0.780 52.125 53.050 -0.241 0.000 0.772 172 N CB 1.949 40.292 38.487 -0.240 0.000 1.220 172 N HN 0.329 nan 8.380 nan 0.000 0.508 176 H N 0.555 119.754 119.070 0.216 0.000 2.972 176 H HA 0.279 4.835 4.556 -0.000 0.000 0.343 176 H C -1.667 173.669 175.328 0.013 0.000 1.054 176 H CA 0.860 56.987 56.048 0.131 0.000 1.412 176 H CB 0.519 30.364 29.762 0.137 0.000 1.385 176 H HN 0.548 nan 8.280 nan 0.000 0.600 177 Y N 2.613 122.194 120.300 -1.199 0.000 2.492 177 Y HA 0.285 4.835 4.550 -0.000 0.000 0.346 177 Y C -1.332 174.033 175.900 -0.892 0.000 0.997 177 Y CA -0.753 56.772 58.100 -0.959 0.000 1.025 177 Y CB 1.728 39.574 38.460 -1.023 0.000 1.263 177 Y HN 0.762 nan 8.280 nan 0.000 0.454 178 D N 5.619 125.465 120.400 -0.923 0.000 2.498 178 D HA 0.314 4.954 4.640 -0.000 0.000 0.247 178 D C 0.983 176.904 176.300 -0.631 0.000 1.070 178 D CA -0.629 53.069 54.000 -0.504 0.000 0.842 178 D CB 2.429 43.096 40.800 -0.221 0.000 1.361 178 D HN 0.811 nan 8.370 nan 0.000 0.484 179 L N 0.768 121.869 121.223 -0.203 0.000 2.265 179 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 179 L C 3.098 179.874 176.870 -0.157 0.000 1.117 179 L CA 1.529 56.295 54.840 -0.124 0.000 0.782 179 L CB -0.760 41.278 42.059 -0.036 0.000 0.914 179 L HN 0.753 nan 8.230 nan 0.000 0.441 180 S N 0.754 116.362 115.700 -0.154 0.000 2.369 180 S HA -0.253 4.216 4.470 -0.000 0.000 0.225 180 S C 1.306 175.809 174.600 -0.162 0.000 1.043 180 S CA 1.878 60.000 58.200 -0.130 0.000 1.074 180 S CB -0.921 62.212 63.200 -0.112 0.000 0.962 180 S HN 0.477 nan 8.310 nan 0.000 0.433 181 E N 0.230 120.287 120.200 -0.239 0.000 2.558 181 E HA 0.504 4.853 4.350 -0.000 0.000 0.255 181 E C -0.182 176.281 176.600 -0.228 0.000 0.968 181 E CA 0.059 56.310 56.400 -0.248 0.000 0.939 181 E CB -0.345 29.171 29.700 -0.308 0.000 0.921 181 E HN 1.609 nan 8.360 nan 0.000 0.477 182 A N 4.384 127.095 122.820 -0.182 0.000 2.569 182 A HA 0.614 4.934 4.320 -0.000 0.000 0.282 182 A C -1.837 175.629 177.584 -0.197 0.000 1.165 182 A CA -1.004 50.944 52.037 -0.148 0.000 0.747 182 A CB 0.597 19.538 19.000 -0.098 0.000 1.215 182 A HN 0.666 nan 8.150 nan 0.000 0.431 183 P HA -0.214 nan 4.420 nan 0.000 0.015 183 P C -0.242 176.700 177.300 -0.597 0.000 0.578 183 P CA 2.107 64.834 63.100 -0.621 0.000 1.033 183 P CB -1.467 30.072 31.700 -0.268 0.000 1.903 184 Y N -0.519 119.480 120.300 -0.501 0.000 2.341 184 Y HA 0.527 5.076 4.550 -0.000 0.000 0.340 184 Y C 0.191 175.838 175.900 -0.421 0.000 0.997 184 Y CA -1.135 56.765 58.100 -0.333 0.000 1.149 184 Y CB 0.549 38.919 38.460 -0.149 0.000 1.171 184 Y HN 0.030 nan 8.280 nan 0.000 0.494 185 Y N 4.269 124.529 120.300 -0.066 0.000 2.326 185 Y HA 0.534 5.083 4.550 -0.000 0.000 0.329 185 Y C -1.987 173.868 175.900 -0.074 0.000 0.973 185 Y CA -3.879 54.131 58.100 -0.149 0.000 1.162 185 Y CB 1.189 39.415 38.460 -0.391 0.000 1.147 185 Y HN 0.648 nan 8.280 nan 0.000 0.456 186 P HA -0.071 nan 4.420 nan 0.000 0.270 186 P C 1.006 178.339 177.300 0.054 0.000 1.181 186 P CA 1.291 64.443 63.100 0.087 0.000 0.767 186 P CB 0.605 32.371 31.700 0.109 0.000 0.799 187 D N 1.335 121.766 120.400 0.050 0.000 2.149 187 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 187 D C 1.199 177.516 176.300 0.028 0.000 0.990 187 D CA 1.779 55.801 54.000 0.038 0.000 0.839 187 D CB -0.489 40.338 40.800 0.044 0.000 0.948 187 D HN 0.476 nan 8.370 nan 0.000 0.460 188 D N -0.345 120.084 120.400 0.048 0.000 2.194 188 D HA 0.019 4.659 4.640 -0.000 0.000 0.204 188 D C 2.249 178.501 176.300 -0.080 0.000 0.964 188 D CA -0.073 53.971 54.000 0.073 0.000 0.846 188 D CB -0.134 40.763 40.800 0.160 0.000 0.962 188 D HN 0.371 nan 8.370 nan 0.000 0.490 189 L N 0.839 121.966 121.223 -0.161 0.000 2.017 189 L HA -0.302 4.038 4.340 -0.000 0.000 0.208 189 L C 2.986 179.576 176.870 -0.466 0.000 1.073 189 L CA 1.985 56.564 54.840 -0.434 0.000 0.745 189 L CB -0.791 41.162 42.059 -0.177 0.000 0.894 189 L HN 0.115 nan 8.230 nan 0.000 0.432 190 Q N -0.140 119.497 119.800 -0.273 0.000 2.133 190 Q HA -0.306 4.034 4.340 -0.000 0.000 0.208 190 Q C 2.172 178.074 176.000 -0.164 0.000 0.991 190 Q CA 2.520 58.170 55.803 -0.255 0.000 0.867 190 Q CB -1.508 27.159 28.738 -0.119 0.000 0.911 190 Q HN 0.781 nan 8.270 nan 0.000 0.417 191 S N -0.953 114.679 115.700 -0.114 0.000 2.474 191 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 191 S C 1.345 176.011 174.600 0.110 0.000 0.997 191 S CA 1.164 59.375 58.200 0.018 0.000 0.949 191 S CB -0.509 62.748 63.200 0.096 0.000 0.766 191 S HN 1.161 nan 8.310 nan 0.000 0.517 192 Y N -2.668 117.647 120.300 0.025 0.000 2.738 192 Y HA 0.512 5.061 4.550 -0.000 0.000 0.249 192 Y C 0.064 175.963 175.900 -0.001 0.000 1.157 192 Y CA -2.058 56.041 58.100 -0.001 0.000 1.189 192 Y CB -0.602 37.843 38.460 -0.026 0.000 1.262 192 Y HN 0.321 nan 8.280 nan 0.000 0.554 193 W N 3.887 125.000 121.300 -0.311 0.000 2.311 193 W HA 0.623 5.283 4.660 -0.000 0.000 0.310 193 W C -1.048 175.355 176.519 -0.193 0.000 1.274 193 W CA -0.320 56.836 57.345 -0.316 0.000 1.215 193 W CB 1.155 30.277 29.460 -0.564 0.000 1.227 193 W HN 0.142 nan 8.180 nan 0.000 0.523 194 K N 4.558 124.747 120.400 -0.351 0.000 2.221 194 K HA 0.745 5.065 4.320 -0.000 0.000 0.258 194 K C 0.442 176.924 176.600 -0.196 0.000 0.944 194 K CA 0.094 56.288 56.287 -0.155 0.000 0.823 194 K CB 0.816 33.245 32.500 -0.118 0.000 1.113 194 K HN 1.430 nan 8.250 nan 0.000 0.431 195 G N 1.191 110.030 108.800 0.065 0.000 2.760 195 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.246 195 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.246 195 G C -1.009 174.066 174.900 0.291 0.000 1.359 195 G CA -0.222 44.944 45.100 0.110 0.000 0.861 195 G HN 0.897 nan 8.290 nan 0.000 0.541 196 D N 2.198 122.729 120.400 0.218 0.000 2.304 196 D HA 0.527 5.166 4.640 -0.000 0.000 0.250 196 D C -1.305 175.182 176.300 0.311 0.000 1.107 196 D CA -0.584 53.578 54.000 0.270 0.000 0.885 196 D CB 1.012 41.905 40.800 0.156 0.000 1.192 196 D HN 0.405 nan 8.370 nan 0.000 0.436 197 P HA 0.278 nan 4.420 nan 0.000 0.274 197 P C -2.555 174.822 177.300 0.129 0.000 1.256 197 P CA -1.144 62.232 63.100 0.460 0.000 0.795 197 P CB -0.409 31.662 31.700 0.618 0.000 1.038 198 P HA 0.187 nan 4.420 nan 0.000 0.272 198 P C -0.109 177.112 177.300 -0.131 0.000 1.230 198 P CA -0.100 62.879 63.100 -0.202 0.000 0.788 198 P CB -0.192 31.213 31.700 -0.492 0.000 0.949 199 K N 0.885 121.228 120.400 -0.095 0.000 2.518 199 K HA 0.243 4.563 4.320 -0.000 0.000 0.276 199 K C 1.608 178.145 176.600 -0.106 0.000 0.974 199 K CA 0.938 57.180 56.287 -0.074 0.000 0.986 199 K CB -1.450 31.019 32.500 -0.052 0.000 0.901 199 K HN 0.617 nan 8.250 nan 0.000 0.497 200 E N 0.520 120.675 120.200 -0.075 0.000 2.097 200 E HA -0.187 4.162 4.350 -0.000 0.000 0.196 200 E C 2.150 178.711 176.600 -0.065 0.000 1.000 200 E CA 2.272 58.628 56.400 -0.072 0.000 0.804 200 E CB -1.449 28.222 29.700 -0.049 0.000 0.740 200 E HN 1.048 nan 8.360 nan 0.000 0.454 201 D N -0.352 120.017 120.400 -0.052 0.000 2.378 201 D HA 0.353 4.992 4.640 -0.000 0.000 0.227 201 D C 1.269 177.549 176.300 -0.033 0.000 1.012 201 D CA 0.483 54.463 54.000 -0.034 0.000 0.905 201 D CB -1.030 39.756 40.800 -0.024 0.000 0.895 201 D HN 0.583 nan 8.370 nan 0.000 0.532 202 L N -1.484 119.700 121.223 -0.066 0.000 4.035 202 L HA -0.188 4.151 4.340 -0.000 0.000 0.490 202 L C -1.302 175.549 176.870 -0.032 0.000 1.163 202 L CA -0.124 54.674 54.840 -0.071 0.000 0.680 202 L CB -1.012 41.028 42.059 -0.032 0.000 1.409 202 L HN 0.300 nan 8.230 nan 0.000 0.786 203 P HA -0.064 nan 4.420 nan 0.000 0.222 203 P C 0.556 177.853 177.300 -0.005 0.000 1.153 203 P CA 0.945 64.035 63.100 -0.016 0.000 0.798 203 P CB 0.206 31.894 31.700 -0.019 0.000 0.796 204 D N -0.337 120.056 120.400 -0.011 0.000 2.722 204 D HA 0.323 4.963 4.640 -0.000 0.000 0.239 204 D C 0.287 176.596 176.300 0.016 0.000 1.249 204 D CA 0.004 54.005 54.000 0.002 0.000 0.830 204 D CB 0.036 40.834 40.800 -0.003 0.000 1.025 204 D HN 0.086 nan 8.370 nan 0.000 0.486 205 A N 0.810 123.646 122.820 0.026 0.000 2.320 205 A HA 0.483 4.803 4.320 -0.000 0.000 0.334 205 A C 0.125 177.749 177.584 0.067 0.000 1.147 205 A CA -0.799 51.270 52.037 0.054 0.000 0.820 205 A CB 0.999 20.038 19.000 0.066 0.000 1.218 205 A HN 0.106 nan 8.150 nan 0.000 0.482 206 E N 1.292 121.541 120.200 0.081 0.000 2.360 206 E HA 0.410 4.760 4.350 -0.000 0.000 0.269 206 E C -0.991 175.671 176.600 0.104 0.000 1.022 206 E CA 0.048 56.496 56.400 0.081 0.000 0.887 206 E CB 0.719 30.464 29.700 0.074 0.000 0.990 206 E HN 0.455 nan 8.360 nan 0.000 0.426 207 I N 3.186 123.813 120.570 0.095 0.000 2.339 207 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 207 I C -0.861 175.325 176.117 0.116 0.000 0.994 207 I CA -1.113 60.256 61.300 0.115 0.000 1.191 207 I CB 1.532 39.586 38.000 0.090 0.000 1.343 207 I HN 0.362 nan 8.210 nan 0.000 0.458 208 V N 6.343 126.352 119.914 0.159 0.000 2.444 208 V HA 0.321 4.441 4.120 -0.000 0.000 0.294 208 V C -0.177 176.034 176.094 0.195 0.000 1.022 208 V CA -0.875 61.508 62.300 0.138 0.000 0.850 208 V CB 1.812 33.690 31.823 0.092 0.000 0.992 208 V HN 0.614 nan 8.190 nan 0.000 0.426 209 N N 4.287 123.076 118.700 0.148 0.000 2.437 209 N HA 0.322 5.061 4.740 -0.000 0.000 0.243 209 N C -0.760 174.844 175.510 0.155 0.000 1.041 209 N CA -0.400 52.748 53.050 0.162 0.000 0.940 209 N CB 1.914 40.468 38.487 0.113 0.000 1.133 209 N HN 0.446 nan 8.380 nan 0.000 0.506 210 L N 2.949 124.306 121.223 0.223 0.000 2.268 210 L HA 0.203 4.543 4.340 -0.000 0.000 0.289 210 L C 0.744 177.721 176.870 0.177 0.000 1.064 210 L CA -0.136 54.810 54.840 0.178 0.000 0.824 210 L CB 0.233 42.424 42.059 0.219 0.000 1.202 210 L HN 0.485 nan 8.230 nan 0.000 0.433 211 T N 2.582 117.215 114.554 0.131 0.000 2.912 211 T HA 0.597 4.947 4.350 -0.000 0.000 0.280 211 T C -2.584 172.196 174.700 0.134 0.000 0.989 211 T CA -2.332 59.840 62.100 0.121 0.000 0.995 211 T CB 1.014 69.931 68.868 0.081 0.000 1.077 211 T HN 0.242 nan 8.240 nan 0.000 0.531 212 P HA 0.211 nan 4.420 nan 0.000 0.261 212 P C 1.116 178.432 177.300 0.027 0.000 1.173 212 P CA 1.520 64.692 63.100 0.121 0.000 0.760 212 P CB -0.029 31.722 31.700 0.085 0.000 0.783 213 G N 1.286 110.067 108.800 -0.033 0.000 2.176 213 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.253 213 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.253 213 G C 0.500 175.385 174.900 -0.025 0.000 0.979 213 G CA 0.335 45.139 45.100 -0.494 0.000 0.641 213 G HN 0.585 nan 8.290 nan 0.000 0.530 217 Y N 5.782 125.967 120.300 -0.192 0.000 2.486 217 Y HA 0.592 5.142 4.550 -0.000 0.000 0.348 217 Y C -1.083 174.783 175.900 -0.057 0.000 1.000 217 Y CA -0.612 57.466 58.100 -0.037 0.000 1.253 217 Y CB 1.023 39.589 38.460 0.177 0.000 1.140 217 Y HN 0.667 nan 8.280 nan 0.000 0.526 218 L N 11.038 131.913 121.223 -0.580 0.000 2.287 218 L HA 0.525 4.865 4.340 -0.000 0.000 0.280 218 L C -2.421 174.083 176.870 -0.610 0.000 1.055 218 L CA -2.244 52.245 54.840 -0.585 0.000 0.863 218 L CB 0.657 42.458 42.059 -0.431 0.000 1.245 218 L HN 0.498 nan 8.230 nan 0.000 0.432 219 P HA 0.100 nan 4.420 nan 0.000 0.274 219 P C -0.720 176.444 177.300 -0.227 0.000 1.231 219 P CA -0.697 62.128 63.100 -0.459 0.000 0.790 219 P CB 0.696 32.168 31.700 -0.380 0.000 0.951 220 R N 1.364 121.770 120.500 -0.157 0.000 2.538 220 R HA 0.090 4.430 4.340 -0.000 0.000 0.273 220 R C 1.289 177.489 176.300 -0.167 0.000 0.967 220 R CA 1.788 57.822 56.100 -0.110 0.000 1.101 220 R CB -1.049 29.161 30.300 -0.149 0.000 0.908 220 R HN 0.851 nan 8.270 nan 0.000 0.411 221 G N 2.648 111.359 108.800 -0.148 0.000 2.253 221 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 221 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 221 G C -0.177 174.481 174.900 -0.403 0.000 0.998 221 G CA 0.141 44.995 45.100 -0.410 0.000 0.621 221 G HN 0.583 nan 8.290 nan 0.000 0.524 222 L N 1.521 122.644 121.223 -0.167 0.000 2.367 222 L HA 0.621 4.960 4.340 -0.000 0.000 0.275 222 L C 0.514 177.473 176.870 0.149 0.000 1.129 222 L CA -0.769 54.032 54.840 -0.065 0.000 0.839 222 L CB 0.071 42.103 42.059 -0.045 0.000 1.133 222 L HN 0.218 nan 8.230 nan 0.000 0.453 223 W N 5.788 127.199 121.300 0.185 0.000 2.251 223 W HA 0.285 4.945 4.660 -0.000 0.000 0.327 223 W C 0.284 176.935 176.519 0.219 0.000 1.361 223 W CA -0.019 57.437 57.345 0.186 0.000 1.234 223 W CB 0.086 29.633 29.460 0.144 0.000 1.212 223 W HN 0.543 nan 8.180 nan 0.000 0.557 224 H N -0.016 119.199 119.070 0.242 0.000 3.016 224 H HA 0.747 5.303 4.556 -0.000 0.000 0.362 224 H C -0.804 174.607 175.328 0.139 0.000 1.233 224 H CA -1.237 54.940 56.048 0.214 0.000 1.124 224 H CB 1.305 31.242 29.762 0.292 0.000 1.850 224 H HN 0.312 nan 8.280 nan 0.000 0.549 225 S N 0.512 116.323 115.700 0.184 0.000 2.651 225 S HA 0.708 5.178 4.470 -0.000 0.000 0.279 225 S C -0.812 173.725 174.600 -0.105 0.000 1.148 225 S CA -0.493 57.746 58.200 0.064 0.000 0.837 225 S CB 2.031 65.272 63.200 0.070 0.000 1.138 225 S HN 1.072 nan 8.310 nan 0.000 0.478 226 T N -2.169 112.281 114.554 -0.173 0.000 2.916 226 T HA 0.905 5.255 4.350 -0.000 0.000 0.298 226 T C -0.718 173.864 174.700 -0.197 0.000 1.031 226 T CA -0.672 61.201 62.100 -0.380 0.000 0.993 226 T CB 1.256 69.786 68.868 -0.565 0.000 1.045 226 T HN 1.198 nan 8.240 nan 0.000 0.454 227 K N 0.762 121.064 120.400 -0.162 0.000 2.378 227 K HA 0.814 5.133 4.320 -0.000 0.000 0.252 227 K C -0.453 176.111 176.600 -0.061 0.000 0.931 227 K CA -1.092 55.140 56.287 -0.092 0.000 0.794 227 K CB 1.931 34.402 32.500 -0.049 0.000 1.181 227 K HN 0.717 nan 8.250 nan 0.000 0.425 228 S N 2.338 118.012 115.700 -0.044 0.000 2.539 228 S HA 0.204 4.674 4.470 -0.000 0.000 0.235 228 S C -0.186 174.412 174.600 -0.004 0.000 1.326 228 S CA -0.661 57.539 58.200 -0.001 0.000 1.183 228 S CB 0.737 63.951 63.200 0.022 0.000 1.073 228 S HN 0.730 nan 8.310 nan 0.000 0.480 229 D N 1.783 122.185 120.400 0.003 0.000 2.097 229 D HA -0.047 4.593 4.640 -0.000 0.000 0.197 229 D C 0.859 177.155 176.300 -0.008 0.000 0.984 229 D CA 1.490 55.487 54.000 -0.006 0.000 0.826 229 D CB 0.244 41.046 40.800 0.004 0.000 0.973 229 D HN 0.393 nan 8.370 nan 0.000 0.460 230 Q N -0.347 119.462 119.800 0.014 0.000 2.293 230 Q HA 0.612 4.952 4.340 -0.000 0.000 0.216 230 Q C -0.535 175.491 176.000 0.042 0.000 1.003 230 Q CA -0.691 55.123 55.803 0.019 0.000 0.995 230 Q CB 0.817 29.575 28.738 0.034 0.000 1.172 230 Q HN 0.104 nan 8.270 nan 0.000 0.518 231 A N 0.543 123.402 122.820 0.065 0.000 2.520 231 A HA 0.433 4.752 4.320 -0.000 0.000 0.245 231 A C -0.206 177.468 177.584 0.149 0.000 1.072 231 A CA 0.396 52.513 52.037 0.132 0.000 0.761 231 A CB -0.568 18.530 19.000 0.164 0.000 1.004 231 A HN 0.593 nan 8.150 nan 0.000 0.499 232 T N 0.409 115.078 114.554 0.191 0.000 2.876 232 T HA 0.638 4.988 4.350 -0.000 0.000 0.289 232 T C -0.836 173.993 174.700 0.215 0.000 1.014 232 T CA -0.666 61.548 62.100 0.191 0.000 0.986 232 T CB 1.231 70.209 68.868 0.182 0.000 1.021 232 T HN 0.812 nan 8.240 nan 0.000 0.458 233 L N 1.991 123.334 121.223 0.200 0.000 2.408 233 L HA 0.909 5.248 4.340 -0.000 0.000 0.268 233 L C -0.995 176.019 176.870 0.240 0.000 0.986 233 L CA -0.457 54.497 54.840 0.190 0.000 0.820 233 L CB 1.816 43.939 42.059 0.106 0.000 1.303 233 L HN 1.223 nan 8.230 nan 0.000 0.411 234 A N 4.136 127.125 122.820 0.281 0.000 2.488 234 A HA 0.662 4.981 4.320 -0.000 0.000 0.298 234 A C -2.003 175.771 177.584 0.317 0.000 1.044 234 A CA -0.513 51.728 52.037 0.339 0.000 0.693 234 A CB 1.401 20.654 19.000 0.421 0.000 1.272 234 A HN 0.656 nan 8.150 nan 0.000 0.402 235 L N 1.869 123.268 121.223 0.292 0.000 2.305 235 L HA 0.575 4.914 4.340 -0.000 0.000 0.281 235 L C -0.482 176.608 176.870 0.367 0.000 1.085 235 L CA 0.071 55.054 54.840 0.238 0.000 0.813 235 L CB 0.610 42.738 42.059 0.114 0.000 1.157 235 L HN 0.699 nan 8.230 nan 0.000 0.436 236 N N 4.610 123.492 118.700 0.303 0.000 2.314 236 N HA 0.593 5.333 4.740 -0.000 0.000 0.304 236 N C -1.300 174.326 175.510 0.193 0.000 1.073 236 N CA -0.433 52.805 53.050 0.314 0.000 0.822 236 N CB 1.743 40.437 38.487 0.346 0.000 1.280 236 N HN 0.368 nan 8.380 nan 0.000 0.489 237 I N 1.575 122.261 120.570 0.193 0.000 2.382 237 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 237 I C -0.236 175.809 176.117 -0.120 0.000 1.002 237 I CA -0.436 60.859 61.300 -0.008 0.000 1.135 237 I CB 0.980 38.994 38.000 0.024 0.000 1.288 237 I HN 0.339 nan 8.210 nan 0.000 0.448 238 T N 6.762 121.178 114.554 -0.230 0.000 2.770 238 T HA 0.613 4.963 4.350 -0.000 0.000 0.283 238 T C -0.448 174.118 174.700 -0.223 0.000 0.988 238 T CA -0.237 61.791 62.100 -0.121 0.000 0.957 238 T CB 0.670 69.474 68.868 -0.106 0.000 0.930 238 T HN 0.091 nan 8.240 nan 0.000 0.443 239 F N 1.264 121.361 119.950 0.245 0.000 2.492 239 F HA 0.662 5.189 4.527 -0.000 0.000 0.327 239 F C 1.099 177.091 175.800 0.318 0.000 1.079 239 F CA -0.867 57.286 58.000 0.254 0.000 0.967 239 F CB 1.264 40.416 39.000 0.254 0.000 1.169 239 F HN 0.652 nan 8.300 nan 0.000 0.472 240 G N 0.451 109.535 108.800 0.473 0.000 2.580 240 G HA2 0.446 4.405 3.960 -0.000 0.000 0.278 240 G HA3 0.446 4.405 3.960 -0.000 0.000 0.278 240 G C -0.856 174.113 174.900 0.116 0.000 1.212 240 G CA -0.500 44.735 45.100 0.224 0.000 0.939 240 G HN 0.482 nan 8.290 nan 0.000 0.513 241 Q N 0.934 120.694 119.800 -0.067 0.000 3.122 241 Q HA 0.203 4.543 4.340 -0.000 0.000 0.282 241 Q C -2.419 173.458 176.000 -0.204 0.000 0.947 241 Q CA -1.376 54.353 55.803 -0.123 0.000 0.812 241 Q CB 1.692 30.335 28.738 -0.158 0.000 1.333 241 Q HN 0.439 nan 8.270 nan 0.000 0.430 242 P HA 0.097 nan 4.420 nan 0.000 0.264 242 P C -0.488 176.537 177.300 -0.459 0.000 1.193 242 P CA 0.224 63.088 63.100 -0.392 0.000 0.763 242 P CB 0.798 32.076 31.700 -0.703 0.000 0.810 243 A N 2.908 125.500 122.820 -0.379 0.000 2.279 243 A HA 0.276 4.596 4.320 -0.000 0.000 0.303 243 A C 0.891 178.278 177.584 -0.329 0.000 1.108 243 A CA -0.813 51.012 52.037 -0.354 0.000 0.830 243 A CB 0.054 18.934 19.000 -0.199 0.000 1.106 243 A HN 0.651 nan 8.150 nan 0.000 0.493 244 W N 0.904 122.117 121.300 -0.145 0.000 2.308 244 W HA -0.238 4.422 4.660 -0.000 0.000 0.301 244 W C 1.812 178.267 176.519 -0.107 0.000 1.220 244 W CA 1.066 58.340 57.345 -0.119 0.000 1.240 244 W CB -0.271 29.133 29.460 -0.094 0.000 1.142 244 W HN 0.691 nan 8.180 nan 0.000 0.521 245 L N 0.866 122.161 121.223 0.120 0.000 2.012 245 L HA -0.243 4.096 4.340 -0.000 0.000 0.210 245 L C 1.852 178.753 176.870 0.052 0.000 1.073 245 L CA 2.078 56.957 54.840 0.065 0.000 0.748 245 L CB -1.163 40.909 42.059 0.022 0.000 0.891 245 L HN -0.091 nan 8.230 nan 0.000 0.431 246 D N -0.436 119.960 120.400 -0.006 0.000 2.123 246 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 246 D C 1.233 177.608 176.300 0.124 0.000 0.992 246 D CA 0.792 54.815 54.000 0.039 0.000 0.833 246 D CB -0.214 40.546 40.800 -0.067 0.000 0.954 246 D HN 0.169 nan 8.370 nan 0.000 0.455 250 A N 0.924 123.818 122.820 0.123 0.000 1.908 250 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 250 A C 2.324 179.947 177.584 0.067 0.000 1.181 250 A CA 2.399 54.502 52.037 0.111 0.000 0.627 250 A CB -0.491 18.621 19.000 0.187 0.000 0.818 250 A HN 0.423 nan 8.150 nan 0.000 0.445 251 A N -0.771 122.090 122.820 0.069 0.000 1.898 251 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 251 A C 2.120 179.702 177.584 -0.002 0.000 1.181 251 A CA 1.701 53.759 52.037 0.035 0.000 0.620 251 A CB -0.602 18.415 19.000 0.028 0.000 0.819 251 A HN 0.563 nan 8.150 nan 0.000 0.442 252 L N -0.178 121.041 121.223 -0.007 0.000 2.017 252 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 252 L C 2.453 179.287 176.870 -0.061 0.000 1.073 252 L CA 2.248 57.064 54.840 -0.039 0.000 0.745 252 L CB -0.727 41.316 42.059 -0.027 0.000 0.894 252 L HN 0.456 nan 8.230 nan 0.000 0.432 253 R N -0.511 119.970 120.500 -0.031 0.000 2.091 253 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 253 R C 2.316 178.585 176.300 -0.053 0.000 1.136 253 R CA 1.886 57.963 56.100 -0.038 0.000 0.959 253 R CB -0.109 30.192 30.300 0.001 0.000 0.856 253 R HN 0.360 nan 8.270 nan 0.000 0.437 254 K N 0.267 120.647 120.400 -0.032 0.000 2.044 254 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 254 K C 2.155 178.719 176.600 -0.061 0.000 1.049 254 K CA 2.008 58.275 56.287 -0.034 0.000 0.927 254 K CB -0.090 32.401 32.500 -0.015 0.000 0.713 254 K HN 0.157 nan 8.250 nan 0.000 0.443 255 K N 0.726 121.079 120.400 -0.077 0.000 2.032 255 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 255 K C 2.084 178.586 176.600 -0.162 0.000 1.048 255 K CA 1.302 57.529 56.287 -0.100 0.000 0.927 255 K CB -0.123 32.317 32.500 -0.099 0.000 0.712 255 K HN 0.072 nan 8.250 nan 0.000 0.441 256 L N 0.631 121.706 121.223 -0.247 0.000 2.313 256 L HA -0.040 4.299 4.340 -0.000 0.000 0.214 256 L C 2.253 178.910 176.870 -0.356 0.000 1.119 256 L CA 0.399 54.951 54.840 -0.480 0.000 0.809 256 L CB -0.090 41.538 42.059 -0.719 0.000 0.933 256 L HN 0.213 nan 8.230 nan 0.000 0.449 257 I N -0.401 120.068 120.570 -0.167 0.000 2.830 257 I HA -0.221 3.948 4.170 -0.000 0.000 0.263 257 I C 2.381 178.488 176.117 -0.017 0.000 1.230 257 I CA 0.999 62.262 61.300 -0.061 0.000 1.480 257 I CB 0.186 38.170 38.000 -0.026 0.000 1.095 257 I HN 0.323 nan 8.210 nan 0.000 0.455 258 S N -1.140 114.539 115.700 -0.036 0.000 2.489 258 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 258 S C 0.920 175.538 174.600 0.030 0.000 0.995 258 S CA -0.080 58.120 58.200 -0.001 0.000 0.934 258 S CB -0.351 62.843 63.200 -0.010 0.000 0.771 258 S HN 0.382 nan 8.310 nan 0.000 0.522 259 D N 2.150 122.572 120.400 0.037 0.000 2.336 259 D HA 0.194 4.833 4.640 -0.000 0.000 0.249 259 D C 0.741 177.172 176.300 0.219 0.000 1.213 259 D CA -0.121 53.964 54.000 0.141 0.000 0.870 259 D CB 0.681 41.606 40.800 0.209 0.000 1.076 259 D HN 0.180 nan 8.370 nan 0.000 0.483 260 N N 3.516 122.309 118.700 0.155 0.000 2.272 260 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 260 N C 1.398 177.004 175.510 0.160 0.000 1.014 260 N CA 1.130 54.262 53.050 0.136 0.000 0.870 260 N CB 0.195 38.739 38.487 0.094 0.000 0.975 260 N HN 0.325 nan 8.380 nan 0.000 0.433 261 R N -1.270 119.338 120.500 0.181 0.000 2.159 261 R HA -0.068 4.271 4.340 -0.000 0.000 0.237 261 R C 1.132 177.439 176.300 0.012 0.000 1.131 261 R CA 1.152 57.326 56.100 0.124 0.000 0.982 261 R CB -0.295 30.012 30.300 0.011 0.000 0.868 261 R HN 0.295 nan 8.270 nan 0.000 0.453 262 F N -0.327 119.647 119.950 0.040 0.000 2.743 262 F HA 0.132 4.658 4.527 -0.000 0.000 0.297 262 F C 1.828 177.648 175.800 0.035 0.000 1.131 262 F CA 0.576 58.587 58.000 0.019 0.000 1.426 262 F CB 0.265 39.266 39.000 0.001 0.000 1.116 262 F HN -0.154 nan 8.300 nan 0.000 0.583 263 R N -0.564 120.050 120.500 0.190 0.000 2.282 263 R HA 0.051 4.391 4.340 -0.000 0.000 0.195 263 R C 0.522 176.878 176.300 0.093 0.000 0.909 263 R CA 0.052 56.227 56.100 0.126 0.000 1.039 263 R CB 0.015 30.377 30.300 0.104 0.000 1.015 263 R HN -0.034 nan 8.270 nan 0.000 0.513 264 E N 1.469 121.725 120.200 0.093 0.000 2.534 264 E HA -0.086 4.263 4.350 -0.000 0.000 0.264 264 E C -0.212 176.427 176.600 0.064 0.000 0.981 264 E CA -0.144 56.300 56.400 0.074 0.000 0.948 264 E CB 0.298 30.051 29.700 0.090 0.000 0.934 264 E HN 0.107 nan 8.360 nan 0.000 0.459 265 L N 2.612 123.863 121.223 0.047 0.000 2.499 265 L HA 0.368 4.708 4.340 -0.000 0.000 0.273 265 L C 0.501 177.396 176.870 0.042 0.000 1.195 265 L CA 0.518 55.382 54.840 0.040 0.000 0.882 265 L CB 0.102 42.178 42.059 0.028 0.000 1.133 265 L HN 0.692 nan 8.230 nan 0.000 0.483 266 A N 4.881 127.726 122.820 0.042 0.000 2.267 266 A HA 0.666 4.986 4.320 -0.000 0.000 0.271 266 A C -0.236 177.366 177.584 0.031 0.000 1.131 266 A CA 0.198 52.260 52.037 0.041 0.000 0.818 266 A CB 0.623 19.647 19.000 0.039 0.000 1.118 266 A HN 1.311 nan 8.150 nan 0.000 0.501 267 V N -2.028 117.903 119.914 0.029 0.000 3.182 267 V HA 0.535 4.655 4.120 -0.000 0.000 0.308 267 V C -0.327 175.780 176.094 0.021 0.000 1.240 267 V CA -1.176 61.137 62.300 0.022 0.000 1.063 267 V CB 1.775 33.608 31.823 0.018 0.000 1.076 267 V HN 0.857 nan 8.190 nan 0.000 0.446 268 N N 0.543 119.253 118.700 0.017 0.000 2.422 268 N HA 0.268 5.007 4.740 -0.000 0.000 0.264 268 N C 1.423 176.942 175.510 0.015 0.000 1.063 268 N CA 0.914 53.973 53.050 0.016 0.000 0.959 268 N CB 1.310 39.806 38.487 0.014 0.000 1.087 268 N HN 1.091 nan 8.380 nan 0.000 0.483 269 H N 1.778 120.858 119.070 0.016 0.000 2.272 269 H HA -0.227 4.328 4.556 -0.000 0.000 0.289 269 H C 1.325 176.660 175.328 0.012 0.000 1.100 269 H CA 2.774 58.831 56.048 0.015 0.000 1.209 269 H CB -1.001 28.770 29.762 0.015 0.000 1.348 269 H HN 0.825 nan 8.280 nan 0.000 0.481 275 S N 1.231 116.931 115.700 0.000 0.000 2.380 275 S HA 0.226 4.696 4.470 -0.000 0.000 0.213 275 S C 2.753 177.352 174.600 -0.002 0.000 1.037 275 S CA 3.464 61.663 58.200 -0.001 0.000 1.034 275 S CB -1.117 62.081 63.200 -0.003 0.000 1.022 275 S HN 1.578 nan 8.310 nan 0.000 0.418 276 S N 1.050 116.747 115.700 -0.005 0.000 2.423 276 S HA -0.037 4.433 4.470 -0.000 0.000 0.238 276 S C 2.164 176.763 174.600 -0.003 0.000 1.028 276 S CA 2.851 61.046 58.200 -0.008 0.000 1.000 276 S CB -1.114 62.079 63.200 -0.011 0.000 0.797 276 S HN 0.971 nan 8.310 nan 0.000 0.487 277 K N 0.415 120.816 120.400 0.002 0.000 2.097 277 K HA 0.262 4.582 4.320 -0.000 0.000 0.205 277 K C 2.647 179.254 176.600 0.011 0.000 1.050 277 K CA 1.858 58.150 56.287 0.008 0.000 0.938 277 K CB -1.808 30.696 32.500 0.007 0.000 0.718 277 K HN 0.804 nan 8.250 nan 0.000 0.442 278 S N 1.041 116.746 115.700 0.008 0.000 2.462 278 S HA -0.034 4.436 4.470 -0.000 0.000 0.219 278 S C 2.376 176.985 174.600 0.015 0.000 1.048 278 S CA 2.813 61.019 58.200 0.011 0.000 1.119 278 S CB -1.223 61.981 63.200 0.007 0.000 1.100 278 S HN 0.983 nan 8.310 nan 0.000 0.411 279 E N 0.120 120.325 120.200 0.009 0.000 2.444 279 E HA -0.062 4.287 4.350 -0.000 0.000 0.205 279 E C 1.805 178.421 176.600 0.027 0.000 1.054 279 E CA 1.561 57.968 56.400 0.011 0.000 0.873 279 E CB -0.978 28.717 29.700 -0.008 0.000 0.793 279 E HN 0.609 nan 8.360 nan 0.000 0.549 280 L N 0.003 121.247 121.223 0.035 0.000 2.202 280 L HA 0.067 4.406 4.340 -0.000 0.000 0.205 280 L C 2.025 178.950 176.870 0.091 0.000 1.083 280 L CA 1.030 55.915 54.840 0.076 0.000 0.790 280 L CB 0.091 42.184 42.059 0.057 0.000 0.942 280 L HN 0.204 nan 8.230 nan 0.000 0.452 281 N N 0.271 119.001 118.700 0.050 0.000 2.132 281 N HA -0.178 4.561 4.740 -0.000 0.000 0.191 281 N C 1.652 177.184 175.510 0.036 0.000 1.015 281 N CA 1.410 54.480 53.050 0.034 0.000 0.864 281 N CB -0.770 37.730 38.487 0.022 0.000 1.006 281 N HN 0.496 nan 8.380 nan 0.000 0.430 282 G N 0.053 108.884 108.800 0.052 0.000 2.604 282 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.216 282 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.216 282 G C 1.371 176.319 174.900 0.080 0.000 1.265 282 G CA 0.950 46.083 45.100 0.055 0.000 0.804 282 G HN 0.321 nan 8.290 nan 0.000 0.579 283 Y N 1.260 121.539 120.300 -0.035 0.000 2.181 283 Y HA -0.223 4.327 4.550 -0.000 0.000 0.279 283 Y C 2.517 178.372 175.900 -0.074 0.000 1.228 283 Y CA 1.865 59.933 58.100 -0.053 0.000 1.164 283 Y CB -0.318 38.108 38.460 -0.057 0.000 0.959 283 Y HN 0.136 nan 8.280 nan 0.000 0.521 284 L N -1.016 120.149 121.223 -0.097 0.000 2.270 284 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 284 L C 2.702 179.478 176.870 -0.157 0.000 1.104 284 L CA 0.941 55.653 54.840 -0.213 0.000 0.804 284 L CB -0.932 41.074 42.059 -0.088 0.000 0.937 284 L HN 0.320 nan 8.230 nan 0.000 0.450 285 E N 0.533 120.684 120.200 -0.081 0.000 2.150 285 E HA -0.221 4.128 4.350 -0.000 0.000 0.193 285 E C 2.276 178.838 176.600 -0.064 0.000 0.985 285 E CA 1.519 57.889 56.400 -0.051 0.000 0.814 285 E CB -0.589 29.100 29.700 -0.018 0.000 0.752 285 E HN 0.626 nan 8.360 nan 0.000 0.466 286 S N -0.220 115.423 115.700 -0.096 0.000 2.377 286 S HA -0.009 4.460 4.470 -0.000 0.000 0.223 286 S C 2.115 176.642 174.600 -0.122 0.000 1.030 286 S CA 1.017 59.166 58.200 -0.084 0.000 0.970 286 S CB -0.239 62.926 63.200 -0.059 0.000 0.830 286 S HN 0.284 nan 8.310 nan 0.000 0.473 287 L N 1.948 123.002 121.223 -0.282 0.000 1.997 287 L HA -0.054 4.285 4.340 -0.000 0.000 0.216 287 L C 2.486 179.322 176.870 -0.057 0.000 1.074 287 L CA 1.682 56.314 54.840 -0.348 0.000 0.763 287 L CB -0.936 40.709 42.059 -0.690 0.000 0.890 287 L HN 0.378 nan 8.230 nan 0.000 0.434 288 I N -1.246 119.284 120.570 -0.066 0.000 2.335 288 I HA -0.357 3.813 4.170 -0.000 0.000 0.251 288 I C 2.925 179.059 176.117 0.029 0.000 1.129 288 I CA 1.433 62.738 61.300 0.007 0.000 1.402 288 I CB -0.758 37.233 38.000 -0.015 0.000 1.069 288 I HN 0.480 nan 8.210 nan 0.000 0.424 289 Q N 0.377 120.184 119.800 0.012 0.000 2.079 289 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 289 Q C 2.233 178.260 176.000 0.044 0.000 0.974 289 Q CA 2.287 58.102 55.803 0.020 0.000 0.840 289 Q CB -1.663 27.081 28.738 0.009 0.000 0.898 289 Q HN 0.545 nan 8.270 nan 0.000 0.430 290 T N 0.839 115.441 114.554 0.081 0.000 2.915 290 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 290 T C 1.900 176.668 174.700 0.113 0.000 1.071 290 T CA 1.160 63.333 62.100 0.123 0.000 1.132 290 T CB -0.214 68.794 68.868 0.234 0.000 0.878 290 T HN 0.403 nan 8.240 nan 0.000 0.479 291 L N 1.887 123.202 121.223 0.153 0.000 1.988 291 L HA 0.084 4.423 4.340 -0.000 0.000 0.207 291 L C 2.854 179.740 176.870 0.026 0.000 1.071 291 L CA 2.395 57.288 54.840 0.089 0.000 0.744 291 L CB -1.268 40.871 42.059 0.132 0.000 0.893 291 L HN 0.287 nan 8.230 nan 0.000 0.433 292 S N -0.327 115.390 115.700 0.029 0.000 2.365 292 S HA -0.264 4.206 4.470 -0.000 0.000 0.225 292 S C 2.060 176.659 174.600 -0.001 0.000 1.039 292 S CA 2.522 60.727 58.200 0.008 0.000 1.033 292 S CB -1.199 62.006 63.200 0.009 0.000 0.887 292 S HN 0.598 nan 8.310 nan 0.000 0.447 293 E N 1.783 121.986 120.200 0.005 0.000 2.049 293 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 293 E C 1.865 178.454 176.600 -0.018 0.000 1.007 293 E CA 1.690 58.088 56.400 -0.004 0.000 0.809 293 E CB -1.178 28.525 29.700 0.005 0.000 0.749 293 E HN 0.798 nan 8.360 nan 0.000 0.450 294 N N -0.199 118.484 118.700 -0.027 0.000 2.381 294 N HA 0.030 4.770 4.740 -0.000 0.000 0.182 294 N C 2.088 177.569 175.510 -0.049 0.000 1.025 294 N CA 1.047 54.066 53.050 -0.051 0.000 0.888 294 N CB 0.029 38.461 38.487 -0.091 0.000 0.965 294 N HN 0.510 nan 8.380 nan 0.000 0.438 295 A N 1.273 124.070 122.820 -0.038 0.000 1.935 295 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 295 A C 2.183 179.744 177.584 -0.039 0.000 1.178 295 A CA 1.571 53.586 52.037 -0.037 0.000 0.640 295 A CB -0.694 18.291 19.000 -0.026 0.000 0.825 295 A HN 0.405 nan 8.150 nan 0.000 0.447 296 E N -0.150 120.031 120.200 -0.033 0.000 2.333 296 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 296 E C 1.776 178.353 176.600 -0.039 0.000 1.007 296 E CA 1.841 58.220 56.400 -0.034 0.000 0.845 296 E CB -1.327 28.357 29.700 -0.026 0.000 0.766 296 E HN 0.865 nan 8.360 nan 0.000 0.507 297 T N -2.334 112.196 114.554 -0.040 0.000 3.086 297 T HA 0.354 4.704 4.350 -0.000 0.000 0.250 297 T C 0.713 175.384 174.700 -0.049 0.000 1.074 297 T CA -0.381 61.695 62.100 -0.040 0.000 0.988 297 T CB -0.189 68.658 68.868 -0.035 0.000 0.988 297 T HN 0.167 nan 8.240 nan 0.000 0.530 298 L N 4.344 125.533 121.223 -0.057 0.000 2.540 298 L HA 0.336 4.675 4.340 -0.000 0.000 0.276 298 L C 0.774 177.593 176.870 -0.085 0.000 1.212 298 L CA 0.645 55.444 54.840 -0.068 0.000 0.893 298 L CB 0.550 42.566 42.059 -0.073 0.000 1.138 298 L HN 0.529 nan 8.230 nan 0.000 0.491 299 T N 1.699 116.199 114.554 -0.091 0.000 2.940 299 T HA 0.538 4.888 4.350 -0.000 0.000 0.288 299 T C -1.935 172.655 174.700 -0.184 0.000 1.033 299 T CA -1.834 60.199 62.100 -0.112 0.000 1.033 299 T CB 1.604 70.427 68.868 -0.074 0.000 1.079 299 T HN 0.407 nan 8.240 nan 0.000 0.496 300 P HA -0.027 nan 4.420 nan 0.000 0.216 300 P C 1.876 178.914 177.300 -0.437 0.000 1.153 300 P CA 2.122 64.942 63.100 -0.468 0.000 0.858 300 P CB -0.273 31.178 31.700 -0.415 0.000 0.789 301 E N 0.400 120.521 120.200 -0.132 0.000 2.070 301 E HA -0.328 4.022 4.350 -0.000 0.000 0.197 301 E C 2.004 178.617 176.600 0.021 0.000 1.004 301 E CA 2.019 58.444 56.400 0.041 0.000 0.805 301 E CB -1.827 27.906 29.700 0.055 0.000 0.744 301 E HN 0.450 nan 8.360 nan 0.000 0.451 302 Q N -0.739 119.040 119.800 -0.035 0.000 2.167 302 Q HA 0.041 4.380 4.340 -0.000 0.000 0.202 302 Q C 2.439 178.437 176.000 -0.004 0.000 0.970 302 Q CA 1.417 57.214 55.803 -0.010 0.000 0.855 302 Q CB -0.188 28.533 28.738 -0.029 0.000 0.911 302 Q HN 0.695 nan 8.270 nan 0.000 0.438 303 I N -0.430 120.084 120.570 -0.094 0.000 2.163 303 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 303 I C 1.561 177.727 176.117 0.082 0.000 1.081 303 I CA 0.892 62.155 61.300 -0.061 0.000 1.353 303 I CB -0.227 37.654 38.000 -0.199 0.000 1.054 303 I HN 0.124 nan 8.210 nan 0.000 0.407 304 F N 1.464 121.482 119.950 0.112 0.000 2.154 304 F HA -0.287 4.240 4.527 -0.000 0.000 0.301 304 F C 3.054 178.918 175.800 0.107 0.000 1.087 304 F CA 1.648 59.724 58.000 0.125 0.000 1.274 304 F CB -1.635 37.420 39.000 0.092 0.000 1.009 304 F HN 0.205 nan 8.300 nan 0.000 0.485 305 Q N -0.276 119.672 119.800 0.246 0.000 2.436 305 Q HA -0.039 4.301 4.340 -0.000 0.000 0.209 305 Q C 1.901 177.989 176.000 0.147 0.000 0.965 305 Q CA 1.228 57.130 55.803 0.165 0.000 0.910 305 Q CB -1.191 27.612 28.738 0.107 0.000 0.980 305 Q HN 0.417 nan 8.270 nan 0.000 0.491 306 S N -0.489 115.317 115.700 0.175 0.000 2.582 306 S HA 0.038 4.507 4.470 -0.000 0.000 0.234 306 S C 1.530 176.313 174.600 0.305 0.000 0.961 306 S CA 0.375 58.683 58.200 0.179 0.000 0.953 306 S CB -0.041 63.251 63.200 0.153 0.000 0.800 306 S HN 0.792 nan 8.310 nan 0.000 0.471 307 Q N -0.227 119.768 119.800 0.325 0.000 2.472 307 Q HA 0.118 4.458 4.340 -0.000 0.000 0.208 307 Q C 1.212 177.429 176.000 0.362 0.000 0.958 307 Q CA 1.191 57.254 55.803 0.433 0.000 0.932 307 Q CB -0.890 28.019 28.738 0.284 0.000 1.007 307 Q HN 0.663 nan 8.270 nan 0.000 0.508 308 D N 0.564 121.068 120.400 0.173 0.000 2.319 308 D HA 0.345 4.985 4.640 -0.000 0.000 0.230 308 D C 0.930 177.162 176.300 -0.114 0.000 1.094 308 D CA 0.611 54.643 54.000 0.053 0.000 0.856 308 D CB 0.007 40.829 40.800 0.036 0.000 0.915 308 D HN 0.681 nan 8.370 nan 0.000 0.517 309 S N -0.083 115.412 115.700 -0.342 0.000 2.686 309 S HA 0.491 4.961 4.470 -0.000 0.000 0.270 309 S C 0.026 174.047 174.600 -0.965 0.000 1.194 309 S CA -0.358 57.488 58.200 -0.589 0.000 0.990 309 S CB 0.790 63.704 63.200 -0.476 0.000 1.029 309 S HN 0.175 nan 8.310 nan 0.000 0.560 310 D N 0.234 120.248 120.400 -0.643 0.000 2.396 310 D HA 0.436 5.076 4.640 -0.000 0.000 0.225 310 D C -0.609 175.460 176.300 -0.385 0.000 1.121 310 D CA -0.507 53.247 54.000 -0.409 0.000 0.853 310 D CB -0.160 40.546 40.800 -0.155 0.000 1.043 310 D HN 0.304 nan 8.370 nan 0.000 0.500 311 F N 1.197 121.182 119.950 0.058 0.000 2.765 311 F HA 0.217 4.744 4.527 -0.000 0.000 0.302 311 F C 0.988 176.823 175.800 0.058 0.000 1.111 311 F CA -0.297 57.731 58.000 0.046 0.000 1.359 311 F CB 0.407 39.423 39.000 0.028 0.000 1.097 311 F HN 0.232 nan 8.300 nan 0.000 0.577 312 D N 0.175 120.695 120.400 0.200 0.000 2.714 312 D HA 0.176 4.815 4.640 -0.000 0.000 0.264 312 D C -1.981 174.416 176.300 0.161 0.000 1.231 312 D CA -1.815 52.303 54.000 0.196 0.000 0.802 312 D CB 0.995 41.949 40.800 0.257 0.000 1.319 312 D HN -0.099 nan 8.370 nan 0.000 0.528 313 P HA -0.173 nan 4.420 nan 0.000 0.218 313 P C 1.866 179.229 177.300 0.104 0.000 1.149 313 P CA 1.216 64.370 63.100 0.090 0.000 0.817 313 P CB -0.097 31.642 31.700 0.065 0.000 0.785 314 Y N 1.090 121.466 120.300 0.126 0.000 2.207 314 Y HA -0.212 4.338 4.550 -0.000 0.000 0.287 314 Y C 2.633 178.629 175.900 0.160 0.000 1.156 314 Y CA 1.837 60.011 58.100 0.124 0.000 1.182 314 Y CB -1.641 36.900 38.460 0.135 0.000 0.979 314 Y HN 0.022 nan 8.280 nan 0.000 0.521 315 Q N 0.098 120.033 119.800 0.225 0.000 2.046 315 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 315 Q C 2.627 178.760 176.000 0.222 0.000 0.975 315 Q CA 2.033 58.018 55.803 0.305 0.000 0.836 315 Q CB -0.804 28.153 28.738 0.365 0.000 0.896 315 Q HN 0.837 nan 8.270 nan 0.000 0.428 316 S N 0.329 116.119 115.700 0.150 0.000 2.382 316 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 316 S C 2.115 176.728 174.600 0.021 0.000 1.027 316 S CA 1.746 59.993 58.200 0.078 0.000 0.991 316 S CB -0.774 62.464 63.200 0.063 0.000 0.823 316 S HN 0.521 nan 8.310 nan 0.000 0.469 317 T N -0.411 114.167 114.554 0.039 0.000 3.023 317 T HA 0.051 4.401 4.350 -0.000 0.000 0.266 317 T C 1.823 176.537 174.700 0.024 0.000 1.093 317 T CA 0.768 62.890 62.100 0.037 0.000 1.129 317 T CB -0.416 68.480 68.868 0.046 0.000 0.899 317 T HN 0.498 nan 8.240 nan 0.000 0.491 318 Q N -0.184 119.607 119.800 -0.015 0.000 2.096 318 Q HA 0.112 4.452 4.340 -0.000 0.000 0.197 318 Q C 2.218 178.032 176.000 -0.310 0.000 0.964 318 Q CA 1.116 56.885 55.803 -0.056 0.000 0.838 318 Q CB -0.246 28.543 28.738 0.084 0.000 0.906 318 Q HN 0.445 nan 8.270 nan 0.000 0.444 319 L N 0.262 121.104 121.223 -0.635 0.000 2.012 319 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 319 L C 2.098 178.758 176.870 -0.351 0.000 1.073 319 L CA 1.589 55.917 54.840 -0.855 0.000 0.748 319 L CB -0.662 41.013 42.059 -0.641 0.000 0.891 319 L HN -0.015 nan 8.230 nan 0.000 0.431 320 V N -0.684 119.132 119.914 -0.164 0.000 2.332 320 V HA -0.319 3.800 4.120 -0.000 0.000 0.248 320 V C 2.339 178.406 176.094 -0.044 0.000 1.055 320 V CA 2.179 64.432 62.300 -0.078 0.000 1.038 320 V CB -0.775 31.038 31.823 -0.016 0.000 0.651 320 V HN 0.478 nan 8.190 nan 0.000 0.450 321 F N 0.845 120.718 119.950 -0.127 0.000 2.102 321 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 321 F C 2.596 178.346 175.800 -0.083 0.000 1.105 321 F CA 1.828 59.778 58.000 -0.083 0.000 1.239 321 F CB -0.194 38.771 39.000 -0.059 0.000 0.991 321 F HN -0.021 nan 8.300 nan 0.000 0.474 322 R N -0.466 120.065 120.500 0.051 0.000 2.189 322 R HA -0.131 4.209 4.340 -0.000 0.000 0.223 322 R C 2.129 178.384 176.300 -0.075 0.000 1.092 322 R CA 0.981 57.081 56.100 -0.000 0.000 0.989 322 R CB -0.327 29.955 30.300 -0.030 0.000 0.876 322 R HN 0.456 nan 8.270 nan 0.000 0.457 323 Q N 0.482 120.203 119.800 -0.132 0.000 2.046 323 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 323 Q C 1.839 177.773 176.000 -0.109 0.000 0.975 323 Q CA 1.137 56.860 55.803 -0.134 0.000 0.836 323 Q CB 0.055 28.711 28.738 -0.138 0.000 0.896 323 Q HN 0.334 nan 8.270 nan 0.000 0.428 324 L N 0.391 121.527 121.223 -0.145 0.000 2.551 324 L HA -0.085 4.254 4.340 -0.000 0.000 0.228 324 L C 1.414 178.198 176.870 -0.144 0.000 1.153 324 L CA 0.353 55.094 54.840 -0.165 0.000 0.851 324 L CB -0.010 41.897 42.059 -0.255 0.000 0.959 324 L HN 0.206 nan 8.230 nan 0.000 0.451 325 L N -0.851 120.311 121.223 -0.102 0.000 2.667 325 L HA 0.114 4.454 4.340 -0.000 0.000 0.232 325 L C 1.197 178.065 176.870 -0.004 0.000 1.138 325 L CA -0.234 54.576 54.840 -0.050 0.000 0.921 325 L CB -0.174 41.882 42.059 -0.005 0.000 1.180 325 L HN 0.259 nan 8.230 nan 0.000 0.487 326 T N 0.000 114.556 114.554 0.004 0.000 3.816 326 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 326 T CA 0.000 62.123 62.100 0.039 0.000 1.349 326 T CB 0.000 68.915 68.868 0.079 0.000 0.612 326 T HN 0.000 nan 8.240 nan 0.000 0.658