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 3gfy_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLTTLIYRSQ VHPDRPPVDL DALVHRASSK NLPLGITGIL LFNGLQFFQV DATA SEQUENCE LEGTEEALES LFSEIQSDPR HRDVVELMRD YSAYRRFHGT GMRILDLRLF DATA SEQUENCE ETDGALEEIL RFSTFGVTEP VNDRMFRLLS AFIADGGRYC LPEPLQPSRW DATA SEQUENCE MMMXXXXXXA PQHLPGQPCQ FALQAIVEPA KKRVSSFEAL IRSPTGGSPV DATA SEQUENCE EMFAAIAAED RYRFDLESKA YAFALAGQLP LGKHQLAINL LPGSLYHHPD DATA SEQUENCE AVGWLMDSLL AAGLRPDQVL IEVXXXXXXX CFDQFRKVLK ALRVAGMKLA DATA SEQUENCE XXXXXXXXXX XXXLTRFQPD KIKVDAELVR DIHISGTKQA IVASVVRCCE DATA SEQUENCE DLGITVVAEG VETLEEWCWL QSVGIRLFQG FLFSRPCLNG IGEICWPVAR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.366 176.300 0.109 0.000 1.140 1 M CA 0.000 55.327 55.300 0.045 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 L N 3.133 124.409 121.223 0.089 0.000 2.462 2 L HA 0.491 4.801 4.340 -0.049 0.000 0.272 2 L C -0.489 176.459 176.870 0.130 0.000 1.166 2 L CA 1.487 56.375 54.840 0.081 0.000 0.880 2 L CB 0.788 42.875 42.059 0.046 0.000 1.142 2 L HN 0.703 nan 8.230 nan 0.000 0.473 3 T N 3.049 117.638 114.554 0.058 0.000 2.900 3 T HA 0.490 4.811 4.350 -0.049 0.000 0.295 3 T C -0.556 174.108 174.700 -0.059 0.000 1.044 3 T CA -0.534 61.561 62.100 -0.008 0.000 0.995 3 T CB 1.611 70.442 68.868 -0.062 0.000 1.072 3 T HN 0.580 nan 8.240 nan 0.000 0.473 4 T N 2.849 117.346 114.554 -0.095 0.000 2.797 4 T HA 0.641 4.962 4.350 -0.049 0.000 0.279 4 T C -1.020 173.595 174.700 -0.142 0.000 0.991 4 T CA -0.529 61.513 62.100 -0.097 0.000 0.979 4 T CB 0.900 69.721 68.868 -0.078 0.000 0.943 4 T HN 0.374 nan 8.240 nan 0.000 0.444 5 L N 4.948 126.079 121.223 -0.153 0.000 2.381 5 L HA 0.709 5.020 4.340 -0.049 0.000 0.274 5 L C -1.504 175.235 176.870 -0.219 0.000 0.988 5 L CA -0.512 54.193 54.840 -0.226 0.000 0.824 5 L CB 0.949 42.833 42.059 -0.292 0.000 1.263 5 L HN 0.644 nan 8.230 nan 0.000 0.410 6 I N 6.183 126.604 120.570 -0.249 0.000 2.418 6 I HA 0.416 4.557 4.170 -0.049 0.000 0.287 6 I C -1.058 174.870 176.117 -0.316 0.000 1.008 6 I CA -0.708 60.391 61.300 -0.336 0.000 1.104 6 I CB 1.433 39.260 38.000 -0.288 0.000 1.264 6 I HN 0.692 nan 8.210 nan 0.000 0.438 7 Y N 5.127 125.153 120.300 -0.458 0.000 2.662 7 Y HA 0.827 5.344 4.550 -0.056 0.000 0.335 7 Y C -0.920 174.769 175.900 -0.351 0.000 1.066 7 Y CA -1.403 56.518 58.100 -0.299 0.000 1.116 7 Y CB 1.411 39.830 38.460 -0.067 0.000 1.308 7 Y HN 0.514 nan 8.280 nan 0.000 0.502 8 R N 1.500 122.033 120.500 0.055 0.000 2.651 8 R HA 0.740 5.051 4.340 -0.049 0.000 0.278 8 R C -1.588 174.918 176.300 0.343 0.000 1.010 8 R CA -0.302 55.864 56.100 0.109 0.000 0.896 8 R CB 2.033 32.467 30.300 0.223 0.000 1.211 8 R HN 1.158 nan 8.270 nan 0.000 0.456 9 S N 2.187 118.125 115.700 0.397 0.000 2.776 9 S HA 0.535 4.976 4.470 -0.049 0.000 0.292 9 S C -1.465 173.381 174.600 0.409 0.000 1.187 9 S CA -0.959 57.462 58.200 0.369 0.000 0.834 9 S CB 1.960 65.345 63.200 0.307 0.000 1.199 9 S HN 0.715 nan 8.310 nan 0.000 0.514 10 Q N -0.307 119.692 119.800 0.332 0.000 2.456 10 Q HA 0.742 5.052 4.340 -0.049 0.000 0.284 10 Q C -0.519 175.637 176.000 0.260 0.000 1.061 10 Q CA -1.309 54.664 55.803 0.284 0.000 0.799 10 Q CB 1.729 30.576 28.738 0.182 0.000 1.445 10 Q HN 0.920 nan 8.270 nan 0.000 0.411 11 V N -1.753 118.306 119.914 0.241 0.000 3.295 11 V HA 0.426 4.517 4.120 -0.049 0.000 0.308 11 V C -0.594 175.529 176.094 0.047 0.000 1.068 11 V CA -0.623 61.817 62.300 0.232 0.000 1.062 11 V CB 0.607 32.620 31.823 0.317 0.000 1.162 11 V HN 0.823 nan 8.190 nan 0.000 0.456 12 H N 2.499 121.685 119.070 0.194 0.000 2.723 12 H HA 0.381 4.908 4.556 -0.049 0.000 0.294 12 H C -1.715 173.683 175.328 0.116 0.000 1.079 12 H CA -1.429 54.701 56.048 0.137 0.000 1.411 12 H CB 0.961 30.795 29.762 0.120 0.000 1.439 12 H HN 0.550 nan 8.280 nan 0.000 0.474 13 P HA -0.113 nan 4.420 nan 0.000 0.229 13 P C 0.772 178.140 177.300 0.113 0.000 1.160 13 P CA 0.823 63.998 63.100 0.124 0.000 0.777 13 P CB 0.641 32.389 31.700 0.080 0.000 0.814 14 D N -0.464 120.011 120.400 0.126 0.000 2.323 14 D HA 0.032 4.643 4.640 -0.049 0.000 0.209 14 D C 0.782 177.130 176.300 0.079 0.000 0.973 14 D CA 0.298 54.352 54.000 0.089 0.000 0.874 14 D CB 0.235 41.084 40.800 0.082 0.000 0.930 14 D HN 0.143 nan 8.370 nan 0.000 0.521 15 R N 0.306 120.870 120.500 0.106 0.000 2.674 15 R HA 0.481 4.791 4.340 -0.049 0.000 0.266 15 R C -2.279 174.072 176.300 0.086 0.000 1.016 15 R CA -1.649 54.497 56.100 0.077 0.000 1.062 15 R CB 0.338 30.676 30.300 0.064 0.000 1.142 15 R HN -0.068 nan 8.270 nan 0.000 0.517 16 P HA 0.062 nan 4.420 nan 0.000 0.268 16 P C -2.306 175.047 177.300 0.088 0.000 1.205 16 P CA -0.862 62.278 63.100 0.066 0.000 0.771 16 P CB -0.187 31.541 31.700 0.046 0.000 0.858 17 P HA -0.078 nan 4.420 nan 0.000 0.263 17 P C -0.402 176.950 177.300 0.085 0.000 1.168 17 P CA 0.292 63.458 63.100 0.109 0.000 0.759 17 P CB 0.132 31.891 31.700 0.099 0.000 0.782 18 V N 3.374 123.339 119.914 0.084 0.000 2.572 18 V HA -0.031 4.059 4.120 -0.049 0.000 0.291 18 V C 1.025 177.122 176.094 0.004 0.000 1.039 18 V CA 0.112 62.447 62.300 0.058 0.000 1.055 18 V CB 0.303 32.197 31.823 0.119 0.000 0.969 18 V HN 0.542 nan 8.190 nan 0.000 0.482 19 D N 4.495 124.902 120.400 0.012 0.000 2.367 19 D HA 0.098 4.709 4.640 -0.049 0.000 0.255 19 D C 1.000 177.298 176.300 -0.004 0.000 1.300 19 D CA 0.237 54.241 54.000 0.006 0.000 0.959 19 D CB 0.646 41.451 40.800 0.009 0.000 1.064 19 D HN 0.478 nan 8.370 nan 0.000 0.509 20 L N 2.584 123.799 121.223 -0.013 0.000 2.141 20 L HA -0.108 4.203 4.340 -0.049 0.000 0.209 20 L C 1.902 178.795 176.870 0.038 0.000 1.094 20 L CA 0.870 55.706 54.840 -0.005 0.000 0.763 20 L CB -0.241 41.811 42.059 -0.011 0.000 0.908 20 L HN 0.372 nan 8.230 nan 0.000 0.437 21 D N 0.409 120.846 120.400 0.061 0.000 2.084 21 D HA -0.202 4.408 4.640 -0.049 0.000 0.194 21 D C 2.188 178.574 176.300 0.143 0.000 0.990 21 D CA 1.538 55.610 54.000 0.120 0.000 0.826 21 D CB 0.128 40.980 40.800 0.087 0.000 0.971 21 D HN 0.220 nan 8.370 nan 0.000 0.453 22 A N -0.195 122.661 122.820 0.061 0.000 1.930 22 A HA -0.056 4.235 4.320 -0.049 0.000 0.217 22 A C 2.158 179.763 177.584 0.035 0.000 1.175 22 A CA 1.218 53.278 52.037 0.039 0.000 0.627 22 A CB -0.882 18.120 19.000 0.004 0.000 0.815 22 A HN 0.402 nan 8.150 nan 0.000 0.443 23 L N -0.518 120.708 121.223 0.005 0.000 2.012 23 L HA -0.106 4.204 4.340 -0.049 0.000 0.210 23 L C 2.406 179.259 176.870 -0.028 0.000 1.073 23 L CA 2.158 56.973 54.840 -0.042 0.000 0.748 23 L CB -0.519 41.486 42.059 -0.090 0.000 0.891 23 L HN 0.169 nan 8.230 nan 0.000 0.431 24 V N -1.227 118.688 119.914 0.000 0.000 2.453 24 V HA -0.273 3.817 4.120 -0.049 0.000 0.247 24 V C 2.394 178.452 176.094 -0.060 0.000 1.048 24 V CA 1.859 64.137 62.300 -0.038 0.000 1.049 24 V CB -0.410 31.387 31.823 -0.044 0.000 0.672 24 V HN 0.662 nan 8.190 nan 0.000 0.457 25 H N -0.002 119.054 119.070 -0.023 0.000 2.326 25 H HA -0.046 4.480 4.556 -0.049 0.000 0.301 25 H C 2.529 177.842 175.328 -0.024 0.000 1.081 25 H CA 2.155 58.191 56.048 -0.020 0.000 1.334 25 H CB -0.008 29.745 29.762 -0.014 0.000 1.385 25 H HN 0.297 nan 8.280 nan 0.000 0.504 26 R N -0.075 120.481 120.500 0.094 0.000 2.092 26 R HA -0.035 4.276 4.340 -0.049 0.000 0.231 26 R C 2.468 178.768 176.300 -0.001 0.000 1.119 26 R CA 0.862 56.981 56.100 0.033 0.000 0.970 26 R CB -0.140 30.167 30.300 0.012 0.000 0.864 26 R HN 0.285 nan 8.270 nan 0.000 0.440 27 A N 0.671 123.478 122.820 -0.021 0.000 1.877 27 A HA -0.157 4.133 4.320 -0.049 0.000 0.216 27 A C 2.205 179.765 177.584 -0.040 0.000 1.186 27 A CA 1.799 53.812 52.037 -0.040 0.000 0.620 27 A CB -0.519 18.444 19.000 -0.061 0.000 0.822 27 A HN 0.231 nan 8.150 nan 0.000 0.443 28 S N -0.370 115.299 115.700 -0.052 0.000 2.370 28 S HA -0.162 4.278 4.470 -0.049 0.000 0.226 28 S C 2.317 176.898 174.600 -0.032 0.000 1.033 28 S CA 1.603 59.767 58.200 -0.059 0.000 1.011 28 S CB -0.404 62.734 63.200 -0.103 0.000 0.852 28 S HN 0.695 nan 8.310 nan 0.000 0.457 29 S N 0.789 116.482 115.700 -0.012 0.000 2.406 29 S HA 0.001 4.442 4.470 -0.049 0.000 0.228 29 S C 1.832 176.431 174.600 -0.003 0.000 1.020 29 S CA 1.103 59.304 58.200 0.002 0.000 0.965 29 S CB -0.144 63.069 63.200 0.021 0.000 0.798 29 S HN 0.457 nan 8.310 nan 0.000 0.488 30 K N 0.271 120.667 120.400 -0.008 0.000 2.167 30 K HA 0.067 4.357 4.320 -0.049 0.000 0.203 30 K C 1.647 178.240 176.600 -0.011 0.000 1.052 30 K CA 0.942 57.223 56.287 -0.009 0.000 0.956 30 K CB -0.066 32.426 32.500 -0.012 0.000 0.735 30 K HN 0.259 nan 8.250 nan 0.000 0.451 31 N N 1.133 119.824 118.700 -0.016 0.000 2.216 31 N HA -0.138 4.572 4.740 -0.049 0.000 0.183 31 N C 1.618 177.121 175.510 -0.011 0.000 1.017 31 N CA 0.610 53.651 53.050 -0.016 0.000 0.861 31 N CB -0.226 38.245 38.487 -0.026 0.000 0.986 31 N HN 0.085 nan 8.380 nan 0.000 0.428 32 L N 1.759 122.975 121.223 -0.011 0.000 2.012 32 L HA -0.076 4.235 4.340 -0.049 0.000 0.210 32 L C -0.972 175.898 176.870 -0.001 0.000 1.073 32 L CA 1.947 56.783 54.840 -0.006 0.000 0.748 32 L CB -1.449 40.606 42.059 -0.007 0.000 0.891 32 L HN 0.137 nan 8.230 nan 0.000 0.431 33 P HA -0.050 nan 4.420 nan 0.000 0.229 33 P C 1.626 178.928 177.300 0.002 0.000 1.160 33 P CA 1.106 64.207 63.100 0.002 0.000 0.777 33 P CB 0.031 31.731 31.700 0.001 0.000 0.814 34 L N -2.121 119.103 121.223 0.001 0.000 2.567 34 L HA 0.298 4.608 4.340 -0.049 0.000 0.225 34 L C 1.186 178.058 176.870 0.004 0.000 1.119 34 L CA 0.481 55.322 54.840 0.002 0.000 0.871 34 L CB -0.825 41.234 42.059 0.000 0.000 1.036 34 L HN 0.074 nan 8.230 nan 0.000 0.459 35 G N 1.641 110.444 108.800 0.004 0.000 2.225 35 G HA2 -0.273 3.657 3.960 -0.049 0.000 0.264 35 G HA3 -0.273 3.657 3.960 -0.049 0.000 0.264 35 G C -0.056 174.846 174.900 0.003 0.000 1.060 35 G CA -0.128 44.976 45.100 0.007 0.000 0.833 35 G HN 0.307 nan 8.290 nan 0.000 0.498 36 I N 1.585 122.153 120.570 -0.003 0.000 2.339 36 I HA 0.533 4.674 4.170 -0.049 0.000 0.290 36 I C 0.831 176.939 176.117 -0.016 0.000 0.994 36 I CA -0.171 61.123 61.300 -0.009 0.000 1.191 36 I CB 1.740 39.733 38.000 -0.012 0.000 1.343 36 I HN 0.314 nan 8.210 nan 0.000 0.458 37 T N 1.943 116.488 114.554 -0.014 0.000 2.926 37 T HA 0.978 5.299 4.350 -0.049 0.000 0.289 37 T C -0.073 174.603 174.700 -0.039 0.000 1.054 37 T CA -0.470 61.622 62.100 -0.015 0.000 1.015 37 T CB 2.395 71.272 68.868 0.014 0.000 1.167 37 T HN 0.958 nan 8.240 nan 0.000 0.526 38 G N -0.101 108.634 108.800 -0.109 0.000 2.350 38 G HA2 0.416 4.346 3.960 -0.049 0.000 0.276 38 G HA3 0.416 4.346 3.960 -0.049 0.000 0.276 38 G C -2.065 172.458 174.900 -0.628 0.000 1.313 38 G CA -0.336 44.563 45.100 -0.335 0.000 0.903 38 G HN 1.124 nan 8.290 nan 0.000 0.490 39 I N -0.696 119.494 120.570 -0.632 0.000 2.841 39 I HA 0.712 4.853 4.170 -0.049 0.000 0.298 39 I C -1.819 174.151 176.117 -0.244 0.000 1.304 39 I CA -1.076 59.922 61.300 -0.504 0.000 1.019 39 I CB 2.155 39.701 38.000 -0.756 0.000 1.282 39 I HN 0.746 nan 8.210 nan 0.000 0.432 40 L N 7.331 128.488 121.223 -0.111 0.000 2.362 40 L HA 0.662 4.973 4.340 -0.049 0.000 0.275 40 L C -1.758 175.184 176.870 0.120 0.000 0.998 40 L CA -0.271 54.567 54.840 -0.003 0.000 0.820 40 L CB 1.689 43.755 42.059 0.013 0.000 1.270 40 L HN 0.440 nan 8.230 nan 0.000 0.415 41 L N 4.858 126.196 121.223 0.190 0.000 2.329 41 L HA 0.563 4.873 4.340 -0.049 0.000 0.279 41 L C -1.305 175.832 176.870 0.446 0.000 1.014 41 L CA -0.592 54.408 54.840 0.267 0.000 0.814 41 L CB 1.895 44.072 42.059 0.197 0.000 1.257 41 L HN 0.555 nan 8.230 nan 0.000 0.424 42 F N 2.906 122.997 119.950 0.234 0.000 2.557 42 F HA 0.360 4.856 4.527 -0.051 0.000 0.316 42 F C 0.183 176.049 175.800 0.111 0.000 1.141 42 F CA -0.898 57.166 58.000 0.107 0.000 0.922 42 F CB 1.433 40.429 39.000 -0.008 0.000 1.194 42 F HN 0.533 nan 8.300 nan 0.000 0.443 43 N N 2.710 121.092 118.700 -0.530 0.000 2.187 43 N HA 0.340 5.050 4.740 -0.049 0.000 0.212 43 N C 0.977 176.088 175.510 -0.665 0.000 1.152 43 N CA 0.473 53.248 53.050 -0.458 0.000 0.872 43 N CB 0.995 39.273 38.487 -0.348 0.000 1.025 43 N HN 0.957 nan 8.380 nan 0.000 0.514 44 G N 0.149 108.112 108.800 -1.395 0.000 2.376 44 G HA2 -0.261 3.670 3.960 -0.049 0.000 0.208 44 G HA3 -0.261 3.670 3.960 -0.049 0.000 0.208 44 G C 0.371 174.911 174.900 -0.600 0.000 1.032 44 G CA 0.308 44.888 45.100 -0.866 0.000 0.641 44 G HN 0.305 nan 8.290 nan 0.000 0.503 45 L N 0.587 121.513 121.223 -0.495 0.000 2.685 45 L HA 0.585 4.896 4.340 -0.049 0.000 0.235 45 L C 0.763 177.588 176.870 -0.076 0.000 1.070 45 L CA 1.005 55.740 54.840 -0.174 0.000 0.888 45 L CB 0.478 42.478 42.059 -0.099 0.000 1.203 45 L HN 0.438 nan 8.230 nan 0.000 0.499 46 Q N -0.951 118.764 119.800 -0.141 0.000 2.394 46 Q HA 0.453 4.763 4.340 -0.049 0.000 0.273 46 Q C -1.513 174.629 176.000 0.237 0.000 1.089 46 Q CA -0.685 55.216 55.803 0.163 0.000 0.812 46 Q CB 2.317 31.262 28.738 0.344 0.000 1.353 46 Q HN -0.080 nan 8.270 nan 0.000 0.438 47 F N 1.013 121.252 119.950 0.482 0.000 2.450 47 F HA 0.634 5.131 4.527 -0.050 0.000 0.328 47 F C -0.532 175.284 175.800 0.025 0.000 1.068 47 F CA -0.739 57.480 58.000 0.365 0.000 1.007 47 F CB 1.045 40.257 39.000 0.353 0.000 1.251 47 F HN 0.444 nan 8.300 nan 0.000 0.492 48 F N 2.135 121.960 119.950 -0.209 0.000 2.689 48 F HA 0.338 4.837 4.527 -0.048 0.000 0.332 48 F C -1.151 174.342 175.800 -0.513 0.000 1.209 48 F CA -0.311 57.284 58.000 -0.674 0.000 1.028 48 F CB 1.157 39.237 39.000 -1.533 0.000 1.291 48 F HN 0.443 nan 8.300 nan 0.000 0.500 49 Q N 5.215 124.393 119.800 -1.037 0.000 2.340 49 Q HA 0.711 5.022 4.340 -0.049 0.000 0.268 49 Q C -1.833 173.755 176.000 -0.688 0.000 1.031 49 Q CA -0.895 54.468 55.803 -0.733 0.000 0.804 49 Q CB 2.434 30.779 28.738 -0.654 0.000 1.286 49 Q HN 0.559 nan 8.270 nan 0.000 0.448 50 V N 5.339 125.027 119.914 -0.377 0.000 2.407 50 V HA 0.434 4.525 4.120 -0.049 0.000 0.278 50 V C -0.326 175.668 176.094 -0.168 0.000 1.037 50 V CA -0.506 61.657 62.300 -0.228 0.000 0.900 50 V CB 1.193 32.992 31.823 -0.041 0.000 0.983 50 V HN 0.706 nan 8.190 nan 0.000 0.459 51 L N 5.060 126.215 121.223 -0.114 0.000 2.356 51 L HA 0.629 4.939 4.340 -0.049 0.000 0.277 51 L C -0.262 176.577 176.870 -0.051 0.000 0.996 51 L CA -0.385 54.413 54.840 -0.069 0.000 0.822 51 L CB 2.084 44.119 42.059 -0.041 0.000 1.256 51 L HN 0.620 nan 8.230 nan 0.000 0.413 52 E N 1.961 122.144 120.200 -0.028 0.000 2.210 52 E HA 0.787 5.108 4.350 -0.049 0.000 0.266 52 E C -0.299 176.290 176.600 -0.018 0.000 0.883 52 E CA -0.619 55.767 56.400 -0.023 0.000 0.761 52 E CB 2.793 32.489 29.700 -0.006 0.000 1.156 52 E HN 0.768 nan 8.360 nan 0.000 0.412 53 G N 0.973 109.764 108.800 -0.015 0.000 2.323 53 G HA2 0.144 4.075 3.960 -0.049 0.000 0.291 53 G HA3 0.144 4.075 3.960 -0.049 0.000 0.291 53 G C -0.576 174.330 174.900 0.009 0.000 1.278 53 G CA -0.503 44.596 45.100 -0.002 0.000 0.860 53 G HN 0.477 nan 8.290 nan 0.000 0.504 54 T N -1.660 112.904 114.554 0.017 0.000 2.860 54 T HA 0.369 4.689 4.350 -0.049 0.000 0.299 54 T C 1.184 175.901 174.700 0.028 0.000 1.045 54 T CA 0.809 62.929 62.100 0.033 0.000 1.071 54 T CB 1.983 70.869 68.868 0.029 0.000 0.985 54 T HN 0.740 nan 8.240 nan 0.000 0.537 55 E N 0.475 120.707 120.200 0.053 0.000 2.085 55 E HA -0.239 4.081 4.350 -0.049 0.000 0.194 55 E C 1.997 178.608 176.600 0.019 0.000 0.994 55 E CA 1.544 57.964 56.400 0.033 0.000 0.801 55 E CB -0.060 29.693 29.700 0.088 0.000 0.743 55 E HN 0.908 nan 8.360 nan 0.000 0.453 56 E N -0.266 119.950 120.200 0.028 0.000 2.058 56 E HA -0.233 4.087 4.350 -0.049 0.000 0.194 56 E C 1.916 178.525 176.600 0.015 0.000 0.997 56 E CA 1.160 57.572 56.400 0.020 0.000 0.801 56 E CB -0.166 29.546 29.700 0.020 0.000 0.746 56 E HN 0.337 nan 8.360 nan 0.000 0.450 57 A N 0.779 123.607 122.820 0.013 0.000 1.930 57 A HA -0.106 4.184 4.320 -0.049 0.000 0.217 57 A C 2.170 179.761 177.584 0.011 0.000 1.175 57 A CA 0.971 53.014 52.037 0.010 0.000 0.627 57 A CB -0.452 18.553 19.000 0.008 0.000 0.815 57 A HN 0.301 nan 8.150 nan 0.000 0.443 58 L N -1.041 120.185 121.223 0.004 0.000 2.179 58 L HA -0.097 4.214 4.340 -0.049 0.000 0.208 58 L C 2.472 179.360 176.870 0.030 0.000 1.096 58 L CA 1.073 55.913 54.840 -0.000 0.000 0.779 58 L CB -0.589 41.442 42.059 -0.045 0.000 0.922 58 L HN 0.469 nan 8.230 nan 0.000 0.443 59 E N -0.290 119.924 120.200 0.024 0.000 2.106 59 E HA -0.209 4.112 4.350 -0.049 0.000 0.192 59 E C 2.334 178.969 176.600 0.059 0.000 0.984 59 E CA 1.448 57.878 56.400 0.050 0.000 0.806 59 E CB -0.002 29.713 29.700 0.025 0.000 0.750 59 E HN 0.288 nan 8.360 nan 0.000 0.458 60 S N 0.742 116.462 115.700 0.034 0.000 2.355 60 S HA -0.136 4.304 4.470 -0.049 0.000 0.222 60 S C 2.010 176.623 174.600 0.022 0.000 1.031 60 S CA 0.726 58.937 58.200 0.019 0.000 0.993 60 S CB -0.108 63.098 63.200 0.010 0.000 0.859 60 S HN 0.174 nan 8.310 nan 0.000 0.453 61 L N 0.723 121.969 121.223 0.039 0.000 2.056 61 L HA 0.170 4.481 4.340 -0.049 0.000 0.207 61 L C 1.997 178.907 176.870 0.067 0.000 1.078 61 L CA 1.846 56.710 54.840 0.039 0.000 0.749 61 L CB -1.012 41.072 42.059 0.042 0.000 0.901 61 L HN 0.524 nan 8.230 nan 0.000 0.433 62 F N -0.813 119.083 119.950 -0.089 0.000 2.216 62 F HA -0.220 4.286 4.527 -0.035 0.000 0.300 62 F C 2.366 178.082 175.800 -0.140 0.000 1.085 62 F CA 1.278 59.191 58.000 -0.144 0.000 1.326 62 F CB 0.073 38.988 39.000 -0.142 0.000 1.027 62 F HN 0.089 nan 8.300 nan 0.000 0.497 63 S N 0.221 115.848 115.700 -0.123 0.000 2.368 63 S HA -0.202 4.238 4.470 -0.049 0.000 0.225 63 S C 1.696 176.186 174.600 -0.182 0.000 1.030 63 S CA 1.565 59.651 58.200 -0.190 0.000 0.999 63 S CB -0.340 62.810 63.200 -0.084 0.000 0.844 63 S HN 0.510 nan 8.310 nan 0.000 0.459 64 E N 0.731 120.860 120.200 -0.118 0.000 2.072 64 E HA -0.069 4.252 4.350 -0.049 0.000 0.191 64 E C 2.006 178.533 176.600 -0.120 0.000 0.985 64 E CA 0.958 57.301 56.400 -0.096 0.000 0.801 64 E CB -0.257 29.407 29.700 -0.060 0.000 0.750 64 E HN 0.461 nan 8.360 nan 0.000 0.452 65 I N 1.212 121.689 120.570 -0.155 0.000 2.226 65 I HA -0.307 3.834 4.170 -0.049 0.000 0.245 65 I C 2.527 178.545 176.117 -0.164 0.000 1.100 65 I CA 1.250 62.460 61.300 -0.150 0.000 1.374 65 I CB -0.221 37.684 38.000 -0.159 0.000 1.057 65 I HN 0.116 nan 8.210 nan 0.000 0.413 66 Q N -0.344 119.171 119.800 -0.475 0.000 2.135 66 Q HA -0.221 4.090 4.340 -0.049 0.000 0.204 66 Q C 2.155 178.030 176.000 -0.209 0.000 0.981 66 Q CA 1.873 57.387 55.803 -0.482 0.000 0.856 66 Q CB -0.151 28.196 28.738 -0.651 0.000 0.902 66 Q HN 0.304 nan 8.270 nan 0.000 0.425 67 S N 0.176 115.787 115.700 -0.148 0.000 2.593 67 S HA -0.032 4.408 4.470 -0.049 0.000 0.217 67 S C -0.020 174.577 174.600 -0.007 0.000 0.966 67 S CA -0.273 57.886 58.200 -0.068 0.000 0.914 67 S CB 0.086 63.242 63.200 -0.073 0.000 0.776 67 S HN 0.203 nan 8.310 nan 0.000 0.523 68 D N 2.538 122.957 120.400 0.032 0.000 2.343 68 D HA 0.152 4.763 4.640 -0.049 0.000 0.255 68 D C -1.623 174.773 176.300 0.160 0.000 1.187 68 D CA -1.676 52.358 54.000 0.055 0.000 0.875 68 D CB 1.720 42.502 40.800 -0.031 0.000 1.136 68 D HN 0.177 nan 8.370 nan 0.000 0.469 69 P HA -0.011 nan 4.420 nan 0.000 0.237 69 P C 1.001 178.440 177.300 0.232 0.000 1.178 69 P CA 0.327 63.522 63.100 0.158 0.000 0.766 69 P CB 0.402 32.137 31.700 0.058 0.000 0.876 70 R N -0.397 120.209 120.500 0.178 0.000 2.148 70 R HA -0.037 4.274 4.340 -0.049 0.000 0.227 70 R C 1.271 177.811 176.300 0.401 0.000 1.103 70 R CA 0.869 57.087 56.100 0.197 0.000 0.983 70 R CB -0.402 29.905 30.300 0.011 0.000 0.874 70 R HN 0.582 nan 8.270 nan 0.000 0.451 71 H N -1.599 117.619 119.070 0.247 0.000 2.949 71 H HA 0.586 5.113 4.556 -0.050 0.000 0.356 71 H C -0.791 174.615 175.328 0.131 0.000 1.212 71 H CA -1.531 54.655 56.048 0.230 0.000 1.136 71 H CB 1.635 31.589 29.762 0.320 0.000 1.869 71 H HN -0.115 nan 8.280 nan 0.000 0.556 72 R N -0.441 120.069 120.500 0.016 0.000 2.846 72 R HA 0.286 4.597 4.340 -0.049 0.000 0.263 72 R C -1.351 174.946 176.300 -0.005 0.000 1.080 72 R CA -0.708 55.361 56.100 -0.052 0.000 0.961 72 R CB 0.644 30.890 30.300 -0.089 0.000 1.231 72 R HN 0.715 nan 8.270 nan 0.000 0.465 73 D N 0.057 120.509 120.400 0.087 0.000 2.697 73 D HA -0.112 4.498 4.640 -0.049 0.000 0.238 73 D C -0.498 175.874 176.300 0.120 0.000 1.152 73 D CA 0.696 54.835 54.000 0.232 0.000 0.666 73 D CB -1.193 39.873 40.800 0.444 0.000 1.037 73 D HN 0.302 nan 8.370 nan 0.000 0.423 74 V N 0.981 120.868 119.914 -0.045 0.000 2.421 74 V HA 0.093 4.184 4.120 -0.049 0.000 0.271 74 V C 0.918 176.998 176.094 -0.023 0.000 1.031 74 V CA -0.178 62.077 62.300 -0.075 0.000 1.032 74 V CB 1.460 33.105 31.823 -0.296 0.000 1.009 74 V HN 0.073 nan 8.190 nan 0.000 0.477 75 V N 5.332 125.291 119.914 0.074 0.000 2.350 75 V HA 0.295 4.386 4.120 -0.049 0.000 0.285 75 V C 0.280 176.408 176.094 0.057 0.000 1.014 75 V CA -0.673 61.619 62.300 -0.013 0.000 0.831 75 V CB 1.506 33.319 31.823 -0.018 0.000 1.000 75 V HN 0.923 nan 8.190 nan 0.000 0.433 76 E N 3.858 124.065 120.200 0.011 0.000 2.324 76 E HA 0.256 4.576 4.350 -0.049 0.000 0.271 76 E C 0.141 176.693 176.600 -0.080 0.000 1.028 76 E CA -0.191 56.193 56.400 -0.026 0.000 0.890 76 E CB 0.940 30.598 29.700 -0.069 0.000 1.004 76 E HN 0.665 nan 8.360 nan 0.000 0.431 77 L N 4.105 125.271 121.223 -0.094 0.000 2.467 77 L HA 0.320 4.631 4.340 -0.049 0.000 0.213 77 L C 0.855 177.673 176.870 -0.086 0.000 1.053 77 L CA 0.153 54.948 54.840 -0.076 0.000 0.847 77 L CB 0.336 42.372 42.059 -0.038 0.000 1.075 77 L HN 0.588 nan 8.230 nan 0.000 0.479 78 M N -0.226 119.300 119.600 -0.123 0.000 2.421 78 M HA 0.419 4.869 4.480 -0.049 0.000 0.287 78 M C -1.682 174.518 176.300 -0.168 0.000 1.183 78 M CA -0.479 54.751 55.300 -0.116 0.000 0.916 78 M CB 2.938 35.492 32.600 -0.078 0.000 1.701 78 M HN -0.094 nan 8.290 nan 0.000 0.470 79 R N 3.011 123.412 120.500 -0.164 0.000 2.695 79 R HA 0.406 4.717 4.340 -0.049 0.000 0.288 79 R C -2.230 173.942 176.300 -0.213 0.000 1.344 79 R CA -0.250 55.725 56.100 -0.208 0.000 1.005 79 R CB 1.138 31.301 30.300 -0.229 0.000 1.233 79 R HN 0.773 nan 8.270 nan 0.000 0.442 80 D N 1.596 121.864 120.400 -0.221 0.000 2.602 80 D HA 0.195 4.806 4.640 -0.049 0.000 0.236 80 D C -1.042 175.119 176.300 -0.232 0.000 1.209 80 D CA -0.373 53.495 54.000 -0.221 0.000 0.831 80 D CB 1.315 42.058 40.800 -0.094 0.000 1.478 80 D HN 0.198 nan 8.370 nan 0.000 0.438 81 Y N 0.483 120.761 120.300 -0.037 0.000 2.397 81 Y HA 0.330 4.866 4.550 -0.023 0.000 0.335 81 Y C 1.076 176.952 175.900 -0.041 0.000 1.213 81 Y CA 0.265 58.345 58.100 -0.034 0.000 1.391 81 Y CB 0.904 39.352 38.460 -0.020 0.000 1.293 81 Y HN -0.009 nan 8.280 nan 0.000 0.557 82 S N 0.275 116.053 115.700 0.130 0.000 2.548 82 S HA 0.702 5.143 4.470 -0.049 0.000 0.286 82 S C 0.371 174.989 174.600 0.031 0.000 1.098 82 S CA -0.131 58.075 58.200 0.011 0.000 0.930 82 S CB 1.297 64.445 63.200 -0.086 0.000 1.070 82 S HN 0.784 nan 8.310 nan 0.000 0.480 83 A N 2.381 125.224 122.820 0.038 0.000 2.030 83 A HA 0.404 4.695 4.320 -0.049 0.000 0.215 83 A C 0.005 177.716 177.584 0.212 0.000 1.164 83 A CA 0.800 52.923 52.037 0.143 0.000 0.697 83 A CB -0.249 18.893 19.000 0.237 0.000 0.827 83 A HN 1.148 nan 8.150 nan 0.000 0.457 84 Y N -3.047 117.259 120.300 0.009 0.000 2.609 84 Y HA 0.720 5.244 4.550 -0.043 0.000 0.336 84 Y C -0.650 175.230 175.900 -0.034 0.000 1.129 84 Y CA -1.891 56.207 58.100 -0.003 0.000 1.040 84 Y CB 0.642 39.100 38.460 -0.002 0.000 1.310 84 Y HN -0.047 nan 8.280 nan 0.000 0.460 85 R N 1.501 122.008 120.500 0.013 0.000 2.390 85 R HA 0.356 4.666 4.340 -0.049 0.000 0.291 85 R C 0.218 176.355 176.300 -0.272 0.000 1.070 85 R CA -0.681 55.328 56.100 -0.152 0.000 1.014 85 R CB 0.997 31.230 30.300 -0.111 0.000 1.007 85 R HN 0.765 nan 8.270 nan 0.000 0.466 86 R N 1.238 121.458 120.500 -0.467 0.000 2.140 86 R HA 0.127 4.438 4.340 -0.049 0.000 0.213 86 R C -0.223 175.446 176.300 -1.052 0.000 1.059 86 R CA 0.895 56.528 56.100 -0.778 0.000 1.000 86 R CB 0.291 29.979 30.300 -1.020 0.000 0.910 86 R HN 0.356 nan 8.270 nan 0.000 0.455 87 F N 0.413 120.050 119.950 -0.521 0.000 2.443 87 F HA 0.396 4.891 4.527 -0.054 0.000 0.335 87 F C 0.731 176.214 175.800 -0.527 0.000 1.104 87 F CA -0.769 56.986 58.000 -0.409 0.000 1.013 87 F CB 1.186 40.085 39.000 -0.167 0.000 1.136 87 F HN -0.037 nan 8.300 nan 0.000 0.470 88 H N 0.332 119.512 119.070 0.184 0.000 2.869 88 H HA 0.666 5.193 4.556 -0.047 0.000 0.342 88 H C 0.606 175.970 175.328 0.060 0.000 1.250 88 H CA -0.374 55.732 56.048 0.095 0.000 1.217 88 H CB 1.321 31.127 29.762 0.072 0.000 1.917 88 H HN 0.748 nan 8.280 nan 0.000 0.586 89 G N -0.052 108.850 108.800 0.171 0.000 2.552 89 G HA2 -0.248 3.682 3.960 -0.049 0.000 0.265 89 G HA3 -0.248 3.682 3.960 -0.049 0.000 0.265 89 G C -0.701 174.219 174.900 0.032 0.000 1.234 89 G CA 0.315 45.449 45.100 0.057 0.000 0.944 89 G HN 0.835 nan 8.290 nan 0.000 0.568 90 T N 0.096 114.644 114.554 -0.010 0.000 4.033 90 T HA 0.560 4.880 4.350 -0.049 0.000 0.253 90 T C 0.136 174.806 174.700 -0.050 0.000 0.614 90 T CA 0.410 62.495 62.100 -0.025 0.000 0.886 90 T CB -0.110 68.752 68.868 -0.010 0.000 1.286 90 T HN 1.889 nan 8.240 nan 0.000 0.479 91 G N 1.864 110.617 108.800 -0.078 0.000 2.434 91 G HA2 0.640 4.571 3.960 -0.049 0.000 0.330 91 G HA3 0.640 4.571 3.960 -0.049 0.000 0.330 91 G C 0.069 174.911 174.900 -0.096 0.000 1.155 91 G CA -0.886 44.153 45.100 -0.101 0.000 0.917 91 G HN 0.563 nan 8.290 nan 0.000 0.493 92 M N 1.747 121.286 119.600 -0.101 0.000 2.307 92 M HA 0.212 4.663 4.480 -0.049 0.000 0.346 92 M C 0.762 176.996 176.300 -0.110 0.000 1.552 92 M CA -0.188 55.048 55.300 -0.107 0.000 1.116 92 M CB -0.323 32.219 32.600 -0.096 0.000 1.889 92 M HN 0.430 nan 8.290 nan 0.000 0.460 93 R N 5.009 125.435 120.500 -0.123 0.000 2.539 93 R HA 0.582 4.892 4.340 -0.049 0.000 0.275 93 R C -0.574 175.693 176.300 -0.054 0.000 1.077 93 R CA -0.295 55.755 56.100 -0.082 0.000 1.097 93 R CB 0.732 30.993 30.300 -0.066 0.000 1.018 93 R HN 0.860 nan 8.270 nan 0.000 0.483 94 I N 2.613 123.191 120.570 0.014 0.000 2.656 94 I HA 0.279 4.419 4.170 -0.049 0.000 0.292 94 I C -1.759 174.440 176.117 0.137 0.000 1.144 94 I CA -1.016 60.325 61.300 0.069 0.000 1.038 94 I CB 1.669 39.714 38.000 0.075 0.000 1.244 94 I HN 0.372 nan 8.210 nan 0.000 0.420 95 L N 6.819 128.140 121.223 0.163 0.000 2.349 95 L HA 0.437 4.747 4.340 -0.049 0.000 0.278 95 L C -0.561 176.493 176.870 0.306 0.000 0.996 95 L CA -0.332 54.642 54.840 0.222 0.000 0.825 95 L CB 1.411 43.481 42.059 0.019 0.000 1.243 95 L HN 0.438 nan 8.230 nan 0.000 0.412 96 D N 3.275 123.905 120.400 0.383 0.000 2.336 96 D HA 0.090 4.701 4.640 -0.049 0.000 0.249 96 D C 0.823 177.365 176.300 0.402 0.000 1.213 96 D CA -0.247 53.974 54.000 0.369 0.000 0.870 96 D CB 1.134 42.116 40.800 0.303 0.000 1.076 96 D HN 0.268 nan 8.370 nan 0.000 0.483 97 L N 4.119 125.513 121.223 0.285 0.000 2.376 97 L HA 0.006 4.316 4.340 -0.049 0.000 0.219 97 L C 2.098 179.081 176.870 0.188 0.000 1.133 97 L CA 0.857 55.850 54.840 0.256 0.000 0.816 97 L CB -0.656 41.455 42.059 0.086 0.000 0.933 97 L HN 0.409 nan 8.230 nan 0.000 0.449 98 R N -0.439 120.125 120.500 0.107 0.000 2.285 98 R HA -0.046 4.265 4.340 -0.049 0.000 0.213 98 R C 1.558 177.876 176.300 0.030 0.000 1.068 98 R CA 0.618 56.741 56.100 0.038 0.000 1.004 98 R CB -0.047 30.259 30.300 0.011 0.000 0.873 98 R HN 0.326 nan 8.270 nan 0.000 0.467 99 L N -0.709 120.535 121.223 0.035 0.000 2.640 99 L HA 0.259 4.569 4.340 -0.049 0.000 0.230 99 L C -0.251 176.416 176.870 -0.339 0.000 1.123 99 L CA -0.209 54.535 54.840 -0.159 0.000 0.900 99 L CB 0.276 42.183 42.059 -0.253 0.000 1.146 99 L HN -0.054 nan 8.230 nan 0.000 0.484 100 F N -0.094 119.867 119.950 0.019 0.000 2.508 100 F HA 0.436 4.934 4.527 -0.047 0.000 0.325 100 F C 0.306 176.106 175.800 -0.001 0.000 1.090 100 F CA -0.868 57.142 58.000 0.017 0.000 0.945 100 F CB 1.733 40.749 39.000 0.028 0.000 1.156 100 F HN -0.237 nan 8.300 nan 0.000 0.463 101 E N 1.576 121.883 120.200 0.178 0.000 2.129 101 E HA 0.485 4.805 4.350 -0.049 0.000 0.268 101 E C 0.208 176.858 176.600 0.082 0.000 0.900 101 E CA -0.068 56.385 56.400 0.088 0.000 0.755 101 E CB 0.915 30.641 29.700 0.044 0.000 1.117 101 E HN 0.702 nan 8.360 nan 0.000 0.410 102 T N 2.858 117.440 114.554 0.048 0.000 13.594 102 T HA -0.329 3.992 4.350 -0.049 0.000 0.419 102 T C 0.664 175.379 174.700 0.025 0.000 1.441 102 T CA 1.825 63.939 62.100 0.023 0.000 2.350 102 T CB -1.350 67.528 68.868 0.018 0.000 2.790 102 T HN 0.771 nan 8.240 nan 0.000 0.516 103 D N 1.962 122.387 120.400 0.042 0.000 2.479 103 D HA 0.356 4.966 4.640 -0.049 0.000 0.218 103 D C 1.706 178.045 176.300 0.065 0.000 1.177 103 D CA 0.775 54.798 54.000 0.038 0.000 0.830 103 D CB -0.422 40.398 40.800 0.034 0.000 1.014 103 D HN 0.718 nan 8.370 nan 0.000 0.503 104 G N 1.127 110.001 108.800 0.123 0.000 2.422 104 G HA2 -0.082 3.848 3.960 -0.049 0.000 0.218 104 G HA3 -0.082 3.848 3.960 -0.049 0.000 0.218 104 G C 1.620 176.601 174.900 0.134 0.000 1.140 104 G CA 0.893 46.124 45.100 0.219 0.000 0.775 104 G HN 0.404 nan 8.290 nan 0.000 0.545 105 A N 0.631 123.410 122.820 -0.067 0.000 1.898 105 A HA 0.159 4.450 4.320 -0.049 0.000 0.216 105 A C 2.385 179.832 177.584 -0.228 0.000 1.181 105 A CA 1.000 52.741 52.037 -0.493 0.000 0.620 105 A CB -0.386 18.385 19.000 -0.380 0.000 0.819 105 A HN 0.331 nan 8.150 nan 0.000 0.442 106 L N -0.893 120.283 121.223 -0.078 0.000 2.131 106 L HA -0.187 4.123 4.340 -0.049 0.000 0.210 106 L C 2.617 179.539 176.870 0.088 0.000 1.092 106 L CA 1.695 56.550 54.840 0.025 0.000 0.759 106 L CB -0.399 41.690 42.059 0.050 0.000 0.903 106 L HN 0.571 nan 8.230 nan 0.000 0.435 107 E N 0.269 120.500 120.200 0.051 0.000 2.072 107 E HA -0.291 4.029 4.350 -0.049 0.000 0.191 107 E C 2.065 178.686 176.600 0.035 0.000 0.985 107 E CA 1.397 57.830 56.400 0.054 0.000 0.801 107 E CB 0.142 29.879 29.700 0.062 0.000 0.750 107 E HN 0.451 nan 8.360 nan 0.000 0.452 108 E N 0.273 120.487 120.200 0.024 0.000 2.106 108 E HA -0.165 4.156 4.350 -0.049 0.000 0.192 108 E C 2.021 178.676 176.600 0.092 0.000 0.984 108 E CA 1.009 57.434 56.400 0.042 0.000 0.806 108 E CB -0.074 29.661 29.700 0.058 0.000 0.750 108 E HN 0.311 nan 8.360 nan 0.000 0.458 109 I N 0.716 121.359 120.570 0.122 0.000 2.179 109 I HA -0.267 3.874 4.170 -0.049 0.000 0.242 109 I C 2.205 178.519 176.117 0.329 0.000 1.088 109 I CA 0.966 62.443 61.300 0.295 0.000 1.357 109 I CB -0.128 38.065 38.000 0.322 0.000 1.051 109 I HN 0.211 nan 8.210 nan 0.000 0.409 110 L N 0.079 121.447 121.223 0.242 0.000 2.465 110 L HA -0.098 4.213 4.340 -0.049 0.000 0.224 110 L C 2.581 179.471 176.870 0.033 0.000 1.145 110 L CA 0.611 55.565 54.840 0.191 0.000 0.834 110 L CB -0.449 41.689 42.059 0.133 0.000 0.944 110 L HN 0.167 nan 8.230 nan 0.000 0.451 111 R N -0.299 120.135 120.500 -0.110 0.000 2.073 111 R HA -0.128 4.183 4.340 -0.049 0.000 0.234 111 R C 1.489 177.501 176.300 -0.480 0.000 1.134 111 R CA 1.595 57.425 56.100 -0.449 0.000 0.952 111 R CB -0.121 29.640 30.300 -0.898 0.000 0.850 111 R HN 0.259 nan 8.270 nan 0.000 0.433 112 F N -0.473 119.568 119.950 0.153 0.000 2.682 112 F HA 0.184 4.681 4.527 -0.051 0.000 0.308 112 F C 0.694 176.596 175.800 0.170 0.000 1.093 112 F CA -0.516 57.578 58.000 0.157 0.000 1.244 112 F CB 0.350 39.458 39.000 0.180 0.000 1.052 112 F HN -0.160 nan 8.300 nan 0.000 0.573 113 S N -0.144 115.676 115.700 0.200 0.000 2.565 113 S HA 0.670 5.111 4.470 -0.049 0.000 0.290 113 S C -0.064 174.454 174.600 -0.135 0.000 1.150 113 S CA -0.500 57.635 58.200 -0.108 0.000 1.058 113 S CB 1.608 64.535 63.200 -0.455 0.000 1.032 113 S HN 0.141 nan 8.310 nan 0.000 0.510 114 T N -0.694 113.699 114.554 -0.268 0.000 2.807 114 T HA 0.661 4.981 4.350 -0.049 0.000 0.279 114 T C -0.864 173.626 174.700 -0.349 0.000 0.993 114 T CA -0.686 61.331 62.100 -0.138 0.000 0.970 114 T CB 0.286 69.193 68.868 0.064 0.000 0.950 114 T HN 0.498 nan 8.240 nan 0.000 0.441 115 F N 2.275 122.242 119.950 0.028 0.000 2.831 115 F HA 0.590 5.084 4.527 -0.055 0.000 0.355 115 F C 1.505 177.342 175.800 0.061 0.000 1.341 115 F CA -0.076 57.972 58.000 0.079 0.000 1.201 115 F CB 0.277 39.233 39.000 -0.073 0.000 1.058 115 F HN 1.326 nan 8.300 nan 0.000 0.514 116 G N 0.268 109.096 108.800 0.047 0.000 2.741 116 G HA2 -0.226 3.705 3.960 -0.049 0.000 0.222 116 G HA3 -0.226 3.705 3.960 -0.049 0.000 0.222 116 G C 0.692 175.548 174.900 -0.073 0.000 1.364 116 G CA -0.373 44.639 45.100 -0.147 0.000 0.866 116 G HN 0.622 nan 8.290 nan 0.000 0.555 117 V N -2.152 117.711 119.914 -0.085 0.000 3.129 117 V HA 0.345 4.436 4.120 -0.049 0.000 0.259 117 V C 1.715 177.789 176.094 -0.033 0.000 1.116 117 V CA 2.265 64.531 62.300 -0.058 0.000 1.127 117 V CB -1.032 30.754 31.823 -0.061 0.000 0.742 117 V HN 1.881 nan 8.190 nan 0.000 0.474 118 T N -1.684 112.859 114.554 -0.018 0.000 2.884 118 T HA 0.374 4.694 4.350 -0.049 0.000 0.277 118 T C -0.006 174.676 174.700 -0.030 0.000 0.976 118 T CA -0.641 61.449 62.100 -0.017 0.000 0.956 118 T CB 1.078 69.944 68.868 -0.004 0.000 1.113 118 T HN 0.348 nan 8.240 nan 0.000 0.554 119 E N 1.791 121.962 120.200 -0.050 0.000 2.465 119 E HA 0.071 4.392 4.350 -0.049 0.000 0.260 119 E C -1.581 174.919 176.600 -0.167 0.000 0.980 119 E CA -1.434 54.905 56.400 -0.102 0.000 0.927 119 E CB 0.632 30.282 29.700 -0.084 0.000 0.934 119 E HN 0.458 nan 8.360 nan 0.000 0.459 120 P HA -0.168 nan 4.420 nan 0.000 0.218 120 P C 1.394 178.307 177.300 -0.646 0.000 1.146 120 P CA 0.607 63.264 63.100 -0.739 0.000 0.813 120 P CB 0.226 31.053 31.700 -1.454 0.000 0.778 121 V N -0.192 119.520 119.914 -0.337 0.000 2.867 121 V HA -0.153 3.937 4.120 -0.049 0.000 0.260 121 V C 1.461 177.568 176.094 0.023 0.000 1.099 121 V CA 1.690 63.992 62.300 0.003 0.000 1.122 121 V CB -1.044 30.804 31.823 0.042 0.000 0.708 121 V HN 0.132 nan 8.190 nan 0.000 0.490 122 N N 0.244 118.934 118.700 -0.017 0.000 2.467 122 N HA 0.007 4.717 4.740 -0.049 0.000 0.184 122 N C 0.460 176.009 175.510 0.064 0.000 1.106 122 N CA 0.389 53.455 53.050 0.027 0.000 0.892 122 N CB -0.043 38.457 38.487 0.022 0.000 0.969 122 N HN 0.534 nan 8.380 nan 0.000 0.454 123 D N 0.526 120.970 120.400 0.073 0.000 2.232 123 D HA 0.109 4.720 4.640 -0.049 0.000 0.242 123 D C 0.955 177.343 176.300 0.147 0.000 1.093 123 D CA -0.326 53.762 54.000 0.147 0.000 0.845 123 D CB 1.814 42.775 40.800 0.268 0.000 1.124 123 D HN -0.055 nan 8.370 nan 0.000 0.467 124 R N 3.749 124.327 120.500 0.129 0.000 2.096 124 R HA -0.137 4.174 4.340 -0.049 0.000 0.235 124 R C 2.157 178.539 176.300 0.136 0.000 1.127 124 R CA 1.089 57.254 56.100 0.108 0.000 0.968 124 R CB -0.022 30.323 30.300 0.076 0.000 0.861 124 R HN 0.563 nan 8.270 nan 0.000 0.440 125 M N -0.251 119.460 119.600 0.186 0.000 2.080 125 M HA -0.218 4.233 4.480 -0.049 0.000 0.260 125 M C 1.873 178.340 176.300 0.277 0.000 1.068 125 M CA 1.794 57.244 55.300 0.250 0.000 1.109 125 M CB -0.261 32.526 32.600 0.313 0.000 1.342 125 M HN 0.229 nan 8.290 nan 0.000 0.405 126 F N 0.883 120.866 119.950 0.054 0.000 2.171 126 F HA -0.164 4.331 4.527 -0.053 0.000 0.300 126 F C 2.271 178.015 175.800 -0.094 0.000 1.090 126 F CA 1.653 59.541 58.000 -0.187 0.000 1.293 126 F CB -0.273 38.266 39.000 -0.769 0.000 1.013 126 F HN 0.085 nan 8.300 nan 0.000 0.486 127 R N 0.052 120.556 120.500 0.005 0.000 2.075 127 R HA -0.124 4.186 4.340 -0.049 0.000 0.232 127 R C 2.277 178.533 176.300 -0.074 0.000 1.126 127 R CA 1.700 57.769 56.100 -0.052 0.000 0.963 127 R CB -0.616 29.709 30.300 0.043 0.000 0.858 127 R HN 0.364 nan 8.270 nan 0.000 0.435 128 L N 0.541 121.779 121.223 0.025 0.000 2.056 128 L HA -0.180 4.130 4.340 -0.049 0.000 0.207 128 L C 2.354 179.210 176.870 -0.024 0.000 1.078 128 L CA 1.070 55.973 54.840 0.105 0.000 0.749 128 L CB -0.377 41.836 42.059 0.257 0.000 0.901 128 L HN 0.189 nan 8.230 nan 0.000 0.433 129 L N -0.958 120.222 121.223 -0.071 0.000 2.012 129 L HA -0.234 4.076 4.340 -0.049 0.000 0.210 129 L C 2.722 179.362 176.870 -0.383 0.000 1.073 129 L CA 1.311 55.981 54.840 -0.282 0.000 0.748 129 L CB -0.480 41.517 42.059 -0.104 0.000 0.891 129 L HN 0.180 nan 8.230 nan 0.000 0.431 130 S N -0.358 115.074 115.700 -0.448 0.000 2.368 130 S HA -0.165 4.276 4.470 -0.049 0.000 0.225 130 S C 2.147 176.605 174.600 -0.236 0.000 1.030 130 S CA 1.169 59.128 58.200 -0.402 0.000 0.999 130 S CB -0.318 62.596 63.200 -0.476 0.000 0.844 130 S HN 0.507 nan 8.310 nan 0.000 0.459 131 A N 0.510 123.227 122.820 -0.172 0.000 1.969 131 A HA -0.019 4.272 4.320 -0.049 0.000 0.218 131 A C 1.868 179.394 177.584 -0.097 0.000 1.169 131 A CA 1.126 53.108 52.037 -0.092 0.000 0.635 131 A CB -0.685 18.310 19.000 -0.009 0.000 0.810 131 A HN 0.515 nan 8.150 nan 0.000 0.445 132 F N 0.470 120.213 119.950 -0.346 0.000 2.163 132 F HA -0.042 4.456 4.527 -0.048 0.000 0.297 132 F C 1.885 177.508 175.800 -0.295 0.000 1.094 132 F CA 1.429 59.196 58.000 -0.389 0.000 1.290 132 F CB -0.150 38.311 39.000 -0.899 0.000 1.017 132 F HN 0.159 nan 8.300 nan 0.000 0.483 133 I N 0.213 120.639 120.570 -0.240 0.000 2.179 133 I HA -0.285 3.855 4.170 -0.049 0.000 0.242 133 I C 2.673 178.644 176.117 -0.243 0.000 1.088 133 I CA 1.266 62.423 61.300 -0.238 0.000 1.357 133 I CB -0.928 36.973 38.000 -0.165 0.000 1.051 133 I HN 0.223 nan 8.210 nan 0.000 0.409 134 A N -0.651 122.048 122.820 -0.201 0.000 1.873 134 A HA -0.180 4.111 4.320 -0.049 0.000 0.215 134 A C 1.202 178.681 177.584 -0.175 0.000 1.186 134 A CA 1.829 53.771 52.037 -0.158 0.000 0.616 134 A CB -0.103 18.824 19.000 -0.122 0.000 0.823 134 A HN 0.403 nan 8.150 nan 0.000 0.442 135 D N -2.383 117.900 120.400 -0.196 0.000 3.118 135 D HA 0.331 4.941 4.640 -0.049 0.000 0.286 135 D C 0.879 177.052 176.300 -0.211 0.000 1.255 135 D CA 0.464 54.352 54.000 -0.186 0.000 0.748 135 D CB -0.008 40.718 40.800 -0.124 0.000 1.332 135 D HN 0.105 nan 8.370 nan 0.000 0.575 136 G N -0.170 108.391 108.800 -0.399 0.000 2.484 136 G HA2 -0.051 3.879 3.960 -0.049 0.000 0.218 136 G HA3 -0.051 3.879 3.960 -0.049 0.000 0.218 136 G C 1.346 176.131 174.900 -0.190 0.000 1.130 136 G CA 0.542 45.358 45.100 -0.473 0.000 0.784 136 G HN 0.414 nan 8.290 nan 0.000 0.543 137 G N -0.054 108.624 108.800 -0.202 0.000 2.848 137 G HA2 -0.003 3.928 3.960 -0.049 0.000 0.208 137 G HA3 -0.003 3.928 3.960 -0.049 0.000 0.208 137 G C 1.484 176.327 174.900 -0.095 0.000 1.152 137 G CA 0.403 45.433 45.100 -0.117 0.000 0.789 137 G HN 0.447 nan 8.290 nan 0.000 0.531 138 R N -0.637 119.795 120.500 -0.114 0.000 2.070 138 R HA -0.068 4.242 4.340 -0.049 0.000 0.233 138 R C 0.847 176.949 176.300 -0.329 0.000 1.137 138 R CA 1.119 57.071 56.100 -0.246 0.000 0.945 138 R CB -0.175 29.949 30.300 -0.293 0.000 0.845 138 R HN 0.410 nan 8.270 nan 0.000 0.430 139 Y N -0.845 119.508 120.300 0.089 0.000 2.658 139 Y HA 0.210 4.735 4.550 -0.042 0.000 0.276 139 Y C -0.006 175.995 175.900 0.169 0.000 1.167 139 Y CA -0.845 57.347 58.100 0.154 0.000 1.230 139 Y CB 0.198 38.798 38.460 0.233 0.000 1.144 139 Y HN 0.109 nan 8.280 nan 0.000 0.529 140 C N 2.252 121.652 119.300 0.167 0.000 2.624 140 C HA 0.292 4.722 4.460 -0.049 0.000 0.397 140 C C 0.625 175.597 174.990 -0.031 0.000 1.331 140 C CA -1.156 57.925 59.018 0.106 0.000 1.716 140 C CB -1.590 26.178 27.740 0.047 0.000 2.452 140 C HN 0.376 nan 8.230 nan 0.000 0.586 141 L N 10.246 131.391 121.223 -0.130 0.000 2.477 141 L HA 0.335 4.646 4.340 -0.049 0.000 0.272 141 L C -1.871 174.881 176.870 -0.196 0.000 1.157 141 L CA -0.577 54.041 54.840 -0.369 0.000 0.889 141 L CB 0.312 41.971 42.059 -0.667 0.000 1.158 141 L HN 0.550 nan 8.230 nan 0.000 0.473 142 P HA 0.089 nan 4.420 nan 0.000 0.272 142 P C 0.202 177.460 177.300 -0.070 0.000 1.223 142 P CA -0.290 62.748 63.100 -0.102 0.000 0.784 142 P CB 0.559 32.202 31.700 -0.096 0.000 0.923 143 E N 2.141 122.325 120.200 -0.027 0.000 2.085 143 E HA -0.142 4.178 4.350 -0.049 0.000 0.194 143 E C -0.734 175.888 176.600 0.036 0.000 0.994 143 E CA 2.009 58.412 56.400 0.005 0.000 0.801 143 E CB -2.098 27.608 29.700 0.010 0.000 0.743 143 E HN 0.485 nan 8.360 nan 0.000 0.453 144 P HA -0.075 nan 4.420 nan 0.000 0.222 144 P C 1.019 178.494 177.300 0.291 0.000 1.147 144 P CA 0.923 64.100 63.100 0.128 0.000 0.790 144 P CB -0.009 31.764 31.700 0.120 0.000 0.780 145 L N -1.524 119.772 121.223 0.121 0.000 2.653 145 L HA 0.125 4.436 4.340 -0.049 0.000 0.231 145 L C 0.667 177.547 176.870 0.016 0.000 1.153 145 L CA -0.208 54.646 54.840 0.024 0.000 0.933 145 L CB -0.324 41.592 42.059 -0.238 0.000 1.175 145 L HN -0.060 nan 8.230 nan 0.000 0.473 146 Q N 0.931 120.807 119.800 0.127 0.000 2.289 146 Q HA 0.072 4.382 4.340 -0.049 0.000 0.273 146 Q C -1.444 174.731 176.000 0.291 0.000 1.029 146 Q CA -1.352 54.531 55.803 0.133 0.000 0.896 146 Q CB 1.218 30.023 28.738 0.112 0.000 1.182 146 Q HN -0.000 nan 8.270 nan 0.000 0.385 147 P HA -0.208 nan 4.420 nan 0.000 0.216 147 P C 1.305 178.790 177.300 0.310 0.000 1.153 147 P CA 1.766 65.047 63.100 0.301 0.000 0.858 147 P CB 0.171 31.998 31.700 0.212 0.000 0.789 148 S N -0.454 115.375 115.700 0.216 0.000 2.442 148 S HA -0.143 4.297 4.470 -0.049 0.000 0.236 148 S C 1.751 176.424 174.600 0.121 0.000 1.007 148 S CA 0.823 59.115 58.200 0.155 0.000 0.965 148 S CB -0.954 62.321 63.200 0.124 0.000 0.773 148 S HN 0.156 nan 8.310 nan 0.000 0.504 149 R N -0.378 120.192 120.500 0.116 0.000 2.319 149 R HA 0.198 4.508 4.340 -0.049 0.000 0.204 149 R C -0.847 175.282 176.300 -0.284 0.000 0.954 149 R CA 0.138 56.179 56.100 -0.098 0.000 1.066 149 R CB 0.011 30.197 30.300 -0.190 0.000 0.991 149 R HN 0.489 nan 8.270 nan 0.000 0.486 150 W N 0.842 122.207 121.300 0.108 0.000 2.950 150 W HA 0.469 5.100 4.660 -0.049 0.000 0.340 150 W C -0.123 176.439 176.519 0.071 0.000 1.139 150 W CA -1.000 56.418 57.345 0.122 0.000 1.188 150 W CB 1.187 30.790 29.460 0.239 0.000 1.426 150 W HN -0.192 nan 8.180 nan 0.000 0.531 151 M N 1.175 120.953 119.600 0.297 0.000 2.622 151 M HA 0.663 5.114 4.480 -0.049 0.000 0.276 151 M C -1.289 175.075 176.300 0.107 0.000 1.265 151 M CA -0.999 54.393 55.300 0.153 0.000 0.850 151 M CB 2.127 34.781 32.600 0.091 0.000 1.720 151 M HN 0.122 nan 8.290 nan 0.000 0.465 152 M N 2.185 121.803 119.600 0.030 0.000 2.314 152 M HA 0.535 4.986 4.480 -0.049 0.000 0.342 152 M C -0.364 175.942 176.300 0.011 0.000 1.171 152 M CA -0.360 54.928 55.300 -0.019 0.000 1.098 152 M CB 1.466 34.010 32.600 -0.094 0.000 1.559 152 M HN 0.809 nan 8.290 nan 0.000 0.459 161 P HA 0.663 nan 4.420 nan 0.000 0.282 161 P C -0.857 176.440 177.300 -0.005 0.000 1.249 161 P CA 0.010 63.109 63.100 -0.002 0.000 0.806 161 P CB 0.881 32.584 31.700 0.004 0.000 0.984 162 Q N 0.596 120.373 119.800 -0.039 0.000 2.318 162 Q HA 0.262 4.572 4.340 -0.049 0.000 0.222 162 Q C 0.261 176.219 176.000 -0.070 0.000 1.003 162 Q CA -0.103 55.634 55.803 -0.110 0.000 0.936 162 Q CB 0.161 28.780 28.738 -0.198 0.000 1.204 162 Q HN 0.611 nan 8.270 nan 0.000 0.524 163 H N -1.457 117.614 119.070 0.002 0.000 2.544 163 H HA 0.605 5.131 4.556 -0.049 0.000 0.365 163 H C -0.791 174.537 175.328 -0.001 0.000 1.268 163 H CA -0.795 55.252 56.048 -0.003 0.000 1.400 163 H CB 0.525 30.280 29.762 -0.012 0.000 1.538 163 H HN 0.378 nan 8.280 nan 0.000 0.597 164 L N 1.983 123.284 121.223 0.129 0.000 2.481 164 L HA 0.248 4.559 4.340 -0.049 0.000 0.255 164 L C -2.100 174.814 176.870 0.073 0.000 1.192 164 L CA -1.626 53.255 54.840 0.068 0.000 0.924 164 L CB 1.999 44.082 42.059 0.040 0.000 1.179 164 L HN 0.583 nan 8.230 nan 0.000 0.491 165 P HA -0.061 nan 4.420 nan 0.000 0.221 165 P C 1.582 178.891 177.300 0.015 0.000 1.150 165 P CA 0.715 63.849 63.100 0.058 0.000 0.800 165 P CB 0.372 32.121 31.700 0.082 0.000 0.787 166 G N -0.744 108.071 108.800 0.023 0.000 2.509 166 G HA2 -0.145 3.785 3.960 -0.049 0.000 0.218 166 G HA3 -0.145 3.785 3.960 -0.049 0.000 0.218 166 G C 0.708 175.608 174.900 -0.001 0.000 1.124 166 G CA 0.135 45.244 45.100 0.016 0.000 0.776 166 G HN 0.324 nan 8.290 nan 0.000 0.547 167 Q N 0.142 119.918 119.800 -0.039 0.000 2.354 167 Q HA 0.164 4.474 4.340 -0.049 0.000 0.244 167 Q C -1.384 174.514 176.000 -0.171 0.000 0.969 167 Q CA -1.767 53.949 55.803 -0.146 0.000 0.885 167 Q CB 1.497 30.074 28.738 -0.268 0.000 1.241 167 Q HN 0.067 nan 8.270 nan 0.000 0.461 168 P HA -0.075 nan 4.420 nan 0.000 0.223 168 P C 0.149 177.405 177.300 -0.073 0.000 1.151 168 P CA 0.747 63.806 63.100 -0.069 0.000 0.787 168 P CB 0.169 31.898 31.700 0.050 0.000 0.788 169 C N -1.650 117.475 119.300 -0.293 0.000 3.285 169 C HA 0.759 5.189 4.460 -0.049 0.000 0.325 169 C C -0.905 173.873 174.990 -0.354 0.000 1.304 169 C CA -0.882 57.968 59.018 -0.280 0.000 1.319 169 C CB 1.927 29.501 27.740 -0.276 0.000 1.640 169 C HN 0.346 nan 8.230 nan 0.000 0.477 170 Q N 0.666 120.276 119.800 -0.316 0.000 2.683 170 Q HA 0.856 5.166 4.340 -0.049 0.000 0.302 170 Q C -1.897 173.903 176.000 -0.334 0.000 1.042 170 Q CA -0.597 55.108 55.803 -0.163 0.000 0.773 170 Q CB 2.167 30.869 28.738 -0.059 0.000 1.508 170 Q HN 0.710 nan 8.270 nan 0.000 0.459 171 F N -0.054 119.897 119.950 0.002 0.000 2.547 171 F HA 0.697 5.195 4.527 -0.050 0.000 0.316 171 F C -0.587 175.231 175.800 0.030 0.000 1.121 171 F CA -0.700 57.311 58.000 0.018 0.000 0.911 171 F CB 2.502 41.516 39.000 0.024 0.000 1.179 171 F HN 0.784 nan 8.300 nan 0.000 0.443 172 A N 3.519 126.457 122.820 0.197 0.000 2.312 172 A HA 0.812 5.102 4.320 -0.049 0.000 0.326 172 A C -1.442 176.254 177.584 0.188 0.000 1.172 172 A CA -0.504 51.625 52.037 0.153 0.000 0.821 172 A CB 0.776 19.841 19.000 0.108 0.000 1.166 172 A HN 0.598 nan 8.150 nan 0.000 0.493 173 L N 1.505 122.819 121.223 0.151 0.000 2.307 173 L HA 0.491 4.802 4.340 -0.049 0.000 0.284 173 L C 0.198 177.205 176.870 0.228 0.000 1.023 173 L CA 0.255 55.201 54.840 0.176 0.000 0.810 173 L CB 1.603 43.703 42.059 0.067 0.000 1.231 173 L HN 0.848 nan 8.230 nan 0.000 0.423 174 Q N 2.091 122.052 119.800 0.269 0.000 2.340 174 Q HA 0.780 5.090 4.340 -0.049 0.000 0.268 174 Q C -0.853 175.279 176.000 0.221 0.000 1.031 174 Q CA -0.841 55.105 55.803 0.238 0.000 0.804 174 Q CB 2.041 30.884 28.738 0.175 0.000 1.286 174 Q HN 0.787 nan 8.270 nan 0.000 0.448 175 A N 4.240 127.128 122.820 0.114 0.000 2.425 175 A HA 0.404 4.694 4.320 -0.049 0.000 0.249 175 A C -0.448 177.033 177.584 -0.172 0.000 1.084 175 A CA -0.183 51.711 52.037 -0.238 0.000 0.781 175 A CB 0.172 19.000 19.000 -0.287 0.000 1.019 175 A HN 0.779 nan 8.150 nan 0.000 0.490 176 I N 2.773 123.190 120.570 -0.255 0.000 2.339 176 I HA 0.398 4.539 4.170 -0.049 0.000 0.290 176 I C 0.010 176.024 176.117 -0.172 0.000 0.994 176 I CA -0.480 60.731 61.300 -0.148 0.000 1.191 176 I CB 1.610 39.552 38.000 -0.097 0.000 1.343 176 I HN 0.549 nan 8.210 nan 0.000 0.458 177 V N 2.269 122.102 119.914 -0.135 0.000 2.919 177 V HA 0.595 4.686 4.120 -0.049 0.000 0.316 177 V C -0.420 175.698 176.094 0.040 0.000 1.077 177 V CA -0.687 61.574 62.300 -0.065 0.000 0.977 177 V CB 1.891 33.608 31.823 -0.175 0.000 1.039 177 V HN 0.817 nan 8.190 nan 0.000 0.441 178 E N 3.001 123.289 120.200 0.148 0.000 2.376 178 E HA 0.430 4.750 4.350 -0.049 0.000 0.236 178 E C -2.159 174.543 176.600 0.171 0.000 0.962 178 E CA -1.957 54.539 56.400 0.160 0.000 0.768 178 E CB 1.928 31.679 29.700 0.085 0.000 1.236 178 E HN 0.592 nan 8.360 nan 0.000 0.431 179 P HA -0.221 nan 4.420 nan 0.000 0.217 179 P C 0.960 178.303 177.300 0.071 0.000 1.151 179 P CA 1.521 64.740 63.100 0.198 0.000 0.849 179 P CB 0.255 32.012 31.700 0.095 0.000 0.787 180 A N -0.451 122.452 122.820 0.138 0.000 1.972 180 A HA -0.161 4.129 4.320 -0.049 0.000 0.219 180 A C 1.892 179.477 177.584 0.002 0.000 1.169 180 A CA 1.522 53.622 52.037 0.104 0.000 0.635 180 A CB -0.703 18.371 19.000 0.124 0.000 0.810 180 A HN 0.179 nan 8.150 nan 0.000 0.446 181 K N -1.067 119.299 120.400 -0.057 0.000 2.414 181 K HA 0.168 4.459 4.320 -0.049 0.000 0.204 181 K C -0.577 175.859 176.600 -0.273 0.000 1.026 181 K CA -0.201 56.019 56.287 -0.112 0.000 1.108 181 K CB 0.410 32.878 32.500 -0.053 0.000 0.855 181 K HN 0.367 nan 8.250 nan 0.000 0.517 182 K N 1.493 121.578 120.400 -0.526 0.000 3.311 182 K HA -0.228 4.063 4.320 -0.049 0.000 0.270 182 K C -0.420 175.692 176.600 -0.814 0.000 0.927 182 K CA 0.600 56.111 56.287 -1.293 0.000 0.706 182 K CB -0.930 30.855 32.500 -1.191 0.000 1.418 182 K HN 0.222 nan 8.250 nan 0.000 0.459 183 R N 0.604 120.920 120.500 -0.308 0.000 2.575 183 R HA 0.314 4.625 4.340 -0.049 0.000 0.293 183 R C -0.689 175.715 176.300 0.174 0.000 0.983 183 R CA -0.738 55.373 56.100 0.018 0.000 0.887 183 R CB 1.623 31.926 30.300 0.005 0.000 1.184 183 R HN 0.006 nan 8.270 nan 0.000 0.445 184 V N 3.248 123.246 119.914 0.141 0.000 2.508 184 V HA 0.014 4.104 4.120 -0.049 0.000 0.281 184 V C 1.220 177.249 176.094 -0.108 0.000 1.041 184 V CA 0.404 62.644 62.300 -0.100 0.000 1.016 184 V CB 1.377 32.948 31.823 -0.419 0.000 0.984 184 V HN 0.940 nan 8.190 nan 0.000 0.478 185 S N 3.277 118.901 115.700 -0.126 0.000 2.398 185 S HA 0.096 4.536 4.470 -0.049 0.000 0.220 185 S C 0.808 175.379 174.600 -0.048 0.000 1.046 185 S CA 0.713 58.894 58.200 -0.031 0.000 0.953 185 S CB 0.197 63.380 63.200 -0.029 0.000 0.856 185 S HN 1.050 nan 8.310 nan 0.000 0.506 186 S N -1.134 114.445 115.700 -0.201 0.000 2.656 186 S HA 0.711 5.152 4.470 -0.049 0.000 0.273 186 S C -1.484 172.890 174.600 -0.378 0.000 1.168 186 S CA -0.901 57.208 58.200 -0.152 0.000 0.817 186 S CB 0.835 64.037 63.200 0.002 0.000 1.146 186 S HN 0.214 nan 8.310 nan 0.000 0.475 187 F N 0.718 120.684 119.950 0.028 0.000 2.532 187 F HA 0.607 5.105 4.527 -0.049 0.000 0.321 187 F C 0.281 176.115 175.800 0.056 0.000 1.089 187 F CA -0.452 57.567 58.000 0.031 0.000 0.926 187 F CB 2.064 41.082 39.000 0.030 0.000 1.168 187 F HN 0.779 nan 8.300 nan 0.000 0.459 188 E N 2.064 122.414 120.200 0.251 0.000 2.158 188 E HA 0.662 4.983 4.350 -0.049 0.000 0.271 188 E C -1.181 175.540 176.600 0.202 0.000 0.911 188 E CA -0.894 55.619 56.400 0.188 0.000 0.767 188 E CB 1.505 31.290 29.700 0.141 0.000 1.120 188 E HN 0.726 nan 8.360 nan 0.000 0.405 189 A N 5.561 128.484 122.820 0.171 0.000 2.362 189 A HA 0.418 4.709 4.320 -0.049 0.000 0.276 189 A C -0.661 177.133 177.584 0.350 0.000 1.153 189 A CA -0.304 51.858 52.037 0.209 0.000 0.813 189 A CB 0.091 19.066 19.000 -0.042 0.000 1.081 189 A HN 0.651 nan 8.150 nan 0.000 0.507 190 L N 3.785 125.247 121.223 0.399 0.000 2.349 190 L HA 0.433 4.744 4.340 -0.049 0.000 0.278 190 L C 0.047 176.992 176.870 0.125 0.000 0.996 190 L CA -0.456 54.548 54.840 0.273 0.000 0.825 190 L CB 1.655 43.819 42.059 0.175 0.000 1.243 190 L HN 0.723 nan 8.230 nan 0.000 0.412 191 I N 3.955 124.480 120.570 -0.076 0.000 2.692 191 I HA 0.137 4.278 4.170 -0.049 0.000 0.284 191 I C -0.250 175.662 176.117 -0.341 0.000 1.159 191 I CA 0.117 61.052 61.300 -0.608 0.000 1.423 191 I CB 0.048 37.752 38.000 -0.493 0.000 1.380 191 I HN 0.618 nan 8.210 nan 0.000 0.580 192 R N 4.965 125.217 120.500 -0.413 0.000 2.744 192 R HA 0.325 4.636 4.340 -0.049 0.000 0.279 192 R C -0.603 175.560 176.300 -0.228 0.000 0.977 192 R CA -0.698 55.268 56.100 -0.224 0.000 0.906 192 R CB 1.873 32.089 30.300 -0.140 0.000 1.197 192 R HN 0.768 nan 8.270 nan 0.000 0.463 193 S N 1.270 116.873 115.700 -0.162 0.000 2.600 193 S HA 0.192 4.632 4.470 -0.049 0.000 0.265 193 S C -1.637 172.891 174.600 -0.120 0.000 1.325 193 S CA -0.772 57.341 58.200 -0.144 0.000 1.002 193 S CB 0.854 63.981 63.200 -0.123 0.000 0.921 193 S HN 0.299 nan 8.310 nan 0.000 0.554 194 P HA -0.018 nan 4.420 nan 0.000 0.221 194 P C 1.120 178.376 177.300 -0.074 0.000 1.145 194 P CA 1.332 64.384 63.100 -0.079 0.000 0.795 194 P CB -0.329 31.331 31.700 -0.067 0.000 0.775 195 T N -6.072 108.430 114.554 -0.086 0.000 3.122 195 T HA 0.424 4.745 4.350 -0.049 0.000 0.250 195 T C 1.384 176.020 174.700 -0.107 0.000 1.067 195 T CA 0.297 62.339 62.100 -0.098 0.000 0.966 195 T CB -0.475 68.343 68.868 -0.084 0.000 1.002 195 T HN 0.204 nan 8.240 nan 0.000 0.542 196 G N 0.482 109.225 108.800 -0.095 0.000 2.141 196 G HA2 -0.047 3.884 3.960 -0.049 0.000 0.231 196 G HA3 -0.047 3.884 3.960 -0.049 0.000 0.231 196 G C 0.433 175.292 174.900 -0.069 0.000 0.984 196 G CA -0.346 44.706 45.100 -0.081 0.000 0.660 196 G HN 0.974 nan 8.290 nan 0.000 0.525 197 G N 0.301 109.056 108.800 -0.074 0.000 2.634 197 G HA2 0.615 4.545 3.960 -0.049 0.000 0.255 197 G HA3 0.615 4.545 3.960 -0.049 0.000 0.255 197 G C 0.791 175.658 174.900 -0.054 0.000 1.205 197 G CA 0.891 45.955 45.100 -0.060 0.000 0.884 197 G HN 1.614 nan 8.290 nan 0.000 0.549 198 S N 0.866 116.549 115.700 -0.027 0.000 2.600 198 S HA 0.247 4.688 4.470 -0.049 0.000 0.265 198 S C -1.518 173.080 174.600 -0.004 0.000 1.325 198 S CA -0.800 57.398 58.200 -0.003 0.000 1.002 198 S CB 1.525 64.740 63.200 0.024 0.000 0.921 198 S HN 0.262 nan 8.310 nan 0.000 0.554 199 P HA -0.122 nan 4.420 nan 0.000 0.217 199 P C 1.485 178.900 177.300 0.192 0.000 1.148 199 P CA 0.815 63.978 63.100 0.105 0.000 0.834 199 P CB -0.203 31.604 31.700 0.178 0.000 0.783 200 V N 0.023 120.014 119.914 0.129 0.000 2.307 200 V HA -0.242 3.849 4.120 -0.049 0.000 0.245 200 V C 2.234 178.371 176.094 0.072 0.000 1.045 200 V CA 1.888 64.257 62.300 0.115 0.000 1.024 200 V CB -1.236 30.626 31.823 0.065 0.000 0.651 200 V HN 0.197 nan 8.190 nan 0.000 0.449 201 E N -0.366 119.846 120.200 0.020 0.000 2.106 201 E HA -0.261 4.059 4.350 -0.049 0.000 0.192 201 E C 2.062 178.623 176.600 -0.065 0.000 0.984 201 E CA 1.574 57.961 56.400 -0.022 0.000 0.806 201 E CB -0.260 29.418 29.700 -0.036 0.000 0.750 201 E HN 0.530 nan 8.360 nan 0.000 0.458 202 M N 0.161 119.701 119.600 -0.101 0.000 2.059 202 M HA -0.138 4.312 4.480 -0.049 0.000 0.259 202 M C 1.594 177.715 176.300 -0.298 0.000 1.072 202 M CA 1.679 56.838 55.300 -0.234 0.000 1.117 202 M CB -0.218 32.189 32.600 -0.322 0.000 1.320 202 M HN 0.005 nan 8.290 nan 0.000 0.408 203 F N 0.227 120.119 119.950 -0.097 0.000 2.365 203 F HA 0.069 4.567 4.527 -0.049 0.000 0.300 203 F C 2.367 178.084 175.800 -0.139 0.000 1.090 203 F CA 1.058 58.986 58.000 -0.121 0.000 1.408 203 F CB -1.115 37.861 39.000 -0.041 0.000 1.060 203 F HN 0.291 nan 8.300 nan 0.000 0.534 204 A N -0.319 122.529 122.820 0.045 0.000 2.014 204 A HA 0.097 4.387 4.320 -0.049 0.000 0.218 204 A C 2.302 179.846 177.584 -0.067 0.000 1.163 204 A CA 1.290 53.321 52.037 -0.010 0.000 0.652 204 A CB -0.948 18.046 19.000 -0.009 0.000 0.808 204 A HN 0.239 nan 8.150 nan 0.000 0.449 205 A N -0.924 121.824 122.820 -0.119 0.000 2.169 205 A HA 0.333 4.624 4.320 -0.049 0.000 0.212 205 A C 0.670 178.129 177.584 -0.209 0.000 1.153 205 A CA 0.252 52.197 52.037 -0.153 0.000 0.756 205 A CB -0.132 18.767 19.000 -0.168 0.000 0.813 205 A HN 0.320 nan 8.150 nan 0.000 0.471 206 I N 0.456 120.873 120.570 -0.255 0.000 2.385 206 I HA 0.429 4.570 4.170 -0.049 0.000 0.294 206 I C 0.849 176.879 176.117 -0.146 0.000 0.988 206 I CA -0.985 60.139 61.300 -0.294 0.000 1.265 206 I CB 0.708 38.397 38.000 -0.519 0.000 1.388 206 I HN 0.185 nan 8.210 nan 0.000 0.480 207 A N 4.442 127.191 122.820 -0.118 0.000 2.483 207 A HA 0.394 4.685 4.320 -0.049 0.000 0.238 207 A C 1.402 178.938 177.584 -0.079 0.000 1.070 207 A CA 0.489 52.478 52.037 -0.080 0.000 0.770 207 A CB 0.230 19.192 19.000 -0.062 0.000 1.008 207 A HN 0.973 nan 8.150 nan 0.000 0.497 208 A N 1.130 123.900 122.820 -0.083 0.000 1.908 208 A HA -0.165 4.126 4.320 -0.049 0.000 0.218 208 A C 1.682 179.176 177.584 -0.151 0.000 1.181 208 A CA 1.966 53.934 52.037 -0.116 0.000 0.627 208 A CB -0.570 18.370 19.000 -0.100 0.000 0.818 208 A HN 0.904 nan 8.150 nan 0.000 0.445 209 E N -0.738 119.400 120.200 -0.104 0.000 2.482 209 E HA -0.082 4.239 4.350 -0.049 0.000 0.196 209 E C 0.321 176.886 176.600 -0.059 0.000 1.047 209 E CA 0.614 56.958 56.400 -0.093 0.000 0.869 209 E CB 0.034 29.702 29.700 -0.055 0.000 0.836 209 E HN 0.513 nan 8.360 nan 0.000 0.520 210 D N -0.520 119.853 120.400 -0.045 0.000 2.407 210 D HA 0.080 4.690 4.640 -0.049 0.000 0.208 210 D C 1.408 177.759 176.300 0.084 0.000 1.083 210 D CA 0.051 54.066 54.000 0.025 0.000 0.844 210 D CB 0.284 41.097 40.800 0.021 0.000 0.967 210 D HN -0.007 nan 8.370 nan 0.000 0.506 211 R N -0.195 120.306 120.500 0.001 0.000 2.066 211 R HA -0.107 4.203 4.340 -0.049 0.000 0.232 211 R C 1.672 178.115 176.300 0.239 0.000 1.131 211 R CA 1.072 57.238 56.100 0.109 0.000 0.955 211 R CB -0.181 30.072 30.300 -0.079 0.000 0.851 211 R HN 0.169 nan 8.270 nan 0.000 0.432 212 Y N 0.430 120.812 120.300 0.137 0.000 2.128 212 Y HA -0.195 4.325 4.550 -0.050 0.000 0.284 212 Y C 2.423 178.397 175.900 0.123 0.000 1.154 212 Y CA 1.132 59.304 58.100 0.120 0.000 1.149 212 Y CB -0.561 37.961 38.460 0.103 0.000 0.976 212 Y HN 0.009 nan 8.280 nan 0.000 0.505 213 R N -0.746 119.924 120.500 0.283 0.000 2.115 213 R HA -0.164 4.146 4.340 -0.049 0.000 0.230 213 R C 2.216 178.598 176.300 0.136 0.000 1.111 213 R CA 1.106 57.299 56.100 0.155 0.000 0.976 213 R CB -0.579 29.806 30.300 0.142 0.000 0.870 213 R HN 0.325 nan 8.270 nan 0.000 0.445 214 F N 1.341 121.355 119.950 0.106 0.000 2.146 214 F HA -0.187 4.311 4.527 -0.050 0.000 0.298 214 F C 1.923 177.811 175.800 0.146 0.000 1.096 214 F CA 1.869 59.931 58.000 0.103 0.000 1.275 214 F CB -0.176 38.882 39.000 0.097 0.000 1.008 214 F HN 0.067 nan 8.300 nan 0.000 0.480 215 D N 0.217 120.854 120.400 0.394 0.000 2.117 215 D HA -0.183 4.428 4.640 -0.049 0.000 0.197 215 D C 2.110 178.469 176.300 0.098 0.000 0.987 215 D CA 1.168 55.392 54.000 0.374 0.000 0.829 215 D CB -0.269 40.815 40.800 0.473 0.000 0.961 215 D HN 0.331 nan 8.370 nan 0.000 0.460 216 L N 0.798 122.004 121.223 -0.028 0.000 2.044 216 L HA 0.007 4.317 4.340 -0.049 0.000 0.205 216 L C 1.883 178.511 176.870 -0.404 0.000 1.075 216 L CA 1.718 56.413 54.840 -0.240 0.000 0.747 216 L CB -0.419 41.383 42.059 -0.428 0.000 0.903 216 L HN -0.011 nan 8.230 nan 0.000 0.435 217 E N -1.072 118.885 120.200 -0.406 0.000 2.427 217 E HA -0.099 4.221 4.350 -0.049 0.000 0.196 217 E C 2.109 178.697 176.600 -0.020 0.000 1.028 217 E CA 0.806 57.042 56.400 -0.273 0.000 0.864 217 E CB -0.028 29.569 29.700 -0.170 0.000 0.813 217 E HN 0.675 nan 8.360 nan 0.000 0.514 218 S N 1.051 116.659 115.700 -0.154 0.000 2.423 218 S HA -0.089 4.352 4.470 -0.049 0.000 0.231 218 S C 1.754 176.489 174.600 0.225 0.000 1.014 218 S CA 0.539 58.734 58.200 -0.008 0.000 0.965 218 S CB 0.006 63.087 63.200 -0.198 0.000 0.785 218 S HN 0.013 nan 8.310 nan 0.000 0.495 219 K N 1.989 122.399 120.400 0.016 0.000 2.280 219 K HA 0.206 4.497 4.320 -0.049 0.000 0.202 219 K C 2.297 178.618 176.600 -0.464 0.000 1.047 219 K CA 1.081 57.155 56.287 -0.355 0.000 0.942 219 K CB -1.126 31.142 32.500 -0.387 0.000 0.739 219 K HN 0.541 nan 8.250 nan 0.000 0.457 220 A N 0.293 123.114 122.820 0.002 0.000 1.940 220 A HA -0.176 4.114 4.320 -0.049 0.000 0.219 220 A C 1.886 179.380 177.584 -0.150 0.000 1.176 220 A CA 1.239 53.273 52.037 -0.004 0.000 0.631 220 A CB -0.610 18.387 19.000 -0.005 0.000 0.814 220 A HN 0.276 nan 8.150 nan 0.000 0.446 221 Y N -0.423 119.871 120.300 -0.010 0.000 2.314 221 Y HA 0.053 4.573 4.550 -0.049 0.000 0.293 221 Y C 2.828 178.655 175.900 -0.122 0.000 1.129 221 Y CA 0.726 58.847 58.100 0.035 0.000 1.201 221 Y CB -0.375 38.205 38.460 0.200 0.000 0.999 221 Y HN 0.322 nan 8.280 nan 0.000 0.541 222 A N -0.198 122.346 122.820 -0.460 0.000 1.898 222 A HA -0.116 4.175 4.320 -0.049 0.000 0.216 222 A C 1.839 179.241 177.584 -0.303 0.000 1.181 222 A CA 1.308 52.847 52.037 -0.830 0.000 0.620 222 A CB -1.045 16.964 19.000 -1.651 0.000 0.819 222 A HN 0.353 nan 8.150 nan 0.000 0.442 223 F N 0.365 120.194 119.950 -0.201 0.000 2.134 223 F HA -0.079 4.419 4.527 -0.049 0.000 0.299 223 F C 2.834 178.576 175.800 -0.097 0.000 1.097 223 F CA 0.433 58.358 58.000 -0.125 0.000 1.264 223 F CB -1.153 37.781 39.000 -0.109 0.000 1.001 223 F HN 0.266 nan 8.300 nan 0.000 0.479 224 A N -0.162 122.714 122.820 0.094 0.000 1.933 224 A HA -0.149 4.142 4.320 -0.049 0.000 0.218 224 A C 2.184 179.790 177.584 0.038 0.000 1.175 224 A CA 1.472 53.531 52.037 0.037 0.000 0.628 224 A CB -1.110 17.890 19.000 -0.002 0.000 0.814 224 A HN 0.331 nan 8.150 nan 0.000 0.444 225 L N -0.229 121.019 121.223 0.042 0.000 2.046 225 L HA -0.047 4.263 4.340 -0.049 0.000 0.208 225 L C 2.639 179.512 176.870 0.004 0.000 1.077 225 L CA 2.198 57.058 54.840 0.033 0.000 0.747 225 L CB -0.752 41.336 42.059 0.048 0.000 0.896 225 L HN 0.328 nan 8.230 nan 0.000 0.432 226 A N -0.764 122.063 122.820 0.012 0.000 1.969 226 A HA -0.024 4.267 4.320 -0.049 0.000 0.218 226 A C 2.287 179.879 177.584 0.014 0.000 1.169 226 A CA 1.381 53.426 52.037 0.014 0.000 0.635 226 A CB -1.400 17.644 19.000 0.074 0.000 0.810 226 A HN 0.530 nan 8.150 nan 0.000 0.445 227 G N -1.121 107.690 108.800 0.019 0.000 2.421 227 G HA2 -0.123 3.808 3.960 -0.049 0.000 0.217 227 G HA3 -0.123 3.808 3.960 -0.049 0.000 0.217 227 G C 1.523 176.421 174.900 -0.002 0.000 1.143 227 G CA 0.779 45.880 45.100 0.002 0.000 0.784 227 G HN 0.614 nan 8.290 nan 0.000 0.541 228 Q N -0.638 119.161 119.800 -0.001 0.000 2.378 228 Q HA 0.259 4.569 4.340 -0.049 0.000 0.205 228 Q C 0.462 176.456 176.000 -0.010 0.000 0.954 228 Q CA -0.022 55.780 55.803 -0.002 0.000 0.901 228 Q CB 0.163 28.904 28.738 0.004 0.000 0.981 228 Q HN 0.346 nan 8.270 nan 0.000 0.483 229 L N 1.831 123.041 121.223 -0.021 0.000 2.344 229 L HA 0.308 4.618 4.340 -0.049 0.000 0.272 229 L C -1.998 174.861 176.870 -0.019 0.000 1.035 229 L CA -2.341 52.475 54.840 -0.040 0.000 0.807 229 L CB 0.946 42.946 42.059 -0.099 0.000 1.237 229 L HN -0.097 nan 8.230 nan 0.000 0.442 230 P HA 0.028 nan 4.420 nan 0.000 0.259 230 P C -0.447 176.908 177.300 0.092 0.000 1.635 230 P CA 0.185 63.309 63.100 0.040 0.000 1.199 230 P CB -0.145 31.587 31.700 0.055 0.000 1.850 231 L N 2.440 123.715 121.223 0.087 0.000 2.399 231 L HA 0.202 4.513 4.340 -0.049 0.000 0.257 231 L C 1.305 178.247 176.870 0.120 0.000 1.236 231 L CA -0.269 54.677 54.840 0.177 0.000 1.144 231 L CB 0.024 42.162 42.059 0.131 0.000 1.379 231 L HN 0.297 nan 8.230 nan 0.000 0.414 232 G N 2.350 111.214 108.800 0.106 0.000 2.852 232 G HA2 0.078 4.009 3.960 -0.049 0.000 0.280 232 G HA3 0.078 4.009 3.960 -0.049 0.000 0.280 232 G C 0.803 175.536 174.900 -0.278 0.000 0.731 232 G CA -0.209 44.845 45.100 -0.075 0.000 2.037 232 G HN 0.757 nan 8.290 nan 0.000 0.560 233 K N -0.103 120.220 120.400 -0.128 0.000 3.274 233 K HA -0.224 4.067 4.320 -0.049 0.000 0.300 233 K C 0.163 176.706 176.600 -0.095 0.000 1.230 233 K CA 0.878 57.100 56.287 -0.109 0.000 0.884 233 K CB -1.666 30.765 32.500 -0.114 0.000 1.242 233 K HN 0.791 nan 8.250 nan 0.000 0.467 234 H N 0.710 119.842 119.070 0.105 0.000 2.562 234 H HA 0.187 4.713 4.556 -0.049 0.000 0.352 234 H C 0.551 175.956 175.328 0.129 0.000 1.125 234 H CA -0.530 55.597 56.048 0.132 0.000 1.379 234 H CB 0.927 30.835 29.762 0.242 0.000 1.464 234 H HN 0.101 nan 8.280 nan 0.000 0.563 235 Q N 1.839 121.787 119.800 0.246 0.000 2.340 235 Q HA 0.224 4.534 4.340 -0.049 0.000 0.249 235 Q C -1.255 174.871 176.000 0.211 0.000 0.957 235 Q CA -0.745 55.161 55.803 0.172 0.000 0.882 235 Q CB 0.762 29.570 28.738 0.117 0.000 1.235 235 Q HN 0.413 nan 8.270 nan 0.000 0.439 236 L N 2.852 124.184 121.223 0.183 0.000 2.325 236 L HA 0.648 4.959 4.340 -0.049 0.000 0.281 236 L C -1.362 175.608 176.870 0.166 0.000 1.004 236 L CA -0.129 54.829 54.840 0.198 0.000 0.823 236 L CB 1.508 43.685 42.059 0.197 0.000 1.236 236 L HN 0.660 nan 8.230 nan 0.000 0.415 237 A N 6.625 129.537 122.820 0.153 0.000 2.301 237 A HA 0.785 5.076 4.320 -0.049 0.000 0.312 237 A C -0.562 177.094 177.584 0.119 0.000 1.182 237 A CA -0.530 51.584 52.037 0.129 0.000 0.826 237 A CB 0.376 19.443 19.000 0.112 0.000 1.134 237 A HN 0.820 nan 8.150 nan 0.000 0.501 238 I N -0.193 120.444 120.570 0.112 0.000 2.647 238 I HA 0.506 4.646 4.170 -0.049 0.000 0.295 238 I C -0.901 175.284 176.117 0.114 0.000 1.078 238 I CA -1.024 60.327 61.300 0.085 0.000 1.048 238 I CB 2.287 40.287 38.000 -0.001 0.000 1.239 238 I HN 0.433 nan 8.210 nan 0.000 0.421 239 N N 6.000 124.786 118.700 0.143 0.000 2.438 239 N HA 0.639 5.350 4.740 -0.049 0.000 0.282 239 N C -1.211 174.392 175.510 0.155 0.000 1.037 239 N CA -0.368 52.771 53.050 0.149 0.000 0.942 239 N CB 2.502 41.089 38.487 0.167 0.000 1.136 239 N HN 0.536 nan 8.380 nan 0.000 0.481 240 L N 2.149 123.449 121.223 0.129 0.000 2.431 240 L HA 0.432 4.742 4.340 -0.049 0.000 0.266 240 L C -0.321 176.608 176.870 0.098 0.000 0.978 240 L CA -0.766 54.146 54.840 0.121 0.000 0.822 240 L CB 2.393 44.513 42.059 0.102 0.000 1.310 240 L HN 0.273 nan 8.230 nan 0.000 0.409 241 L N 4.273 125.550 121.223 0.091 0.000 2.456 241 L HA 0.105 4.415 4.340 -0.049 0.000 0.272 241 L C -1.331 175.568 176.870 0.048 0.000 1.189 241 L CA -1.265 53.620 54.840 0.076 0.000 0.846 241 L CB 0.455 42.600 42.059 0.144 0.000 1.111 241 L HN 0.420 nan 8.230 nan 0.000 0.475 242 P HA -0.172 nan 4.420 nan 0.000 0.216 242 P C 1.400 178.651 177.300 -0.081 0.000 1.153 242 P CA 1.432 64.546 63.100 0.024 0.000 0.858 242 P CB 0.143 31.846 31.700 0.005 0.000 0.789 243 G N -0.938 107.697 108.800 -0.274 0.000 2.443 243 G HA2 -0.209 3.722 3.960 -0.049 0.000 0.219 243 G HA3 -0.209 3.722 3.960 -0.049 0.000 0.219 243 G C 1.581 176.127 174.900 -0.589 0.000 1.131 243 G CA 0.786 45.461 45.100 -0.708 0.000 0.775 243 G HN 0.216 nan 8.290 nan 0.000 0.547 244 S N 0.367 115.897 115.700 -0.284 0.000 2.399 244 S HA 0.002 4.443 4.470 -0.049 0.000 0.231 244 S C 2.178 176.751 174.600 -0.044 0.000 1.022 244 S CA 0.755 58.941 58.200 -0.023 0.000 0.983 244 S CB -0.117 63.133 63.200 0.083 0.000 0.803 244 S HN 0.324 nan 8.310 nan 0.000 0.480 245 L N -0.991 120.208 121.223 -0.040 0.000 2.202 245 L HA 0.106 4.416 4.340 -0.049 0.000 0.205 245 L C 2.213 179.089 176.870 0.011 0.000 1.083 245 L CA 0.956 55.782 54.840 -0.022 0.000 0.790 245 L CB -0.366 41.683 42.059 -0.017 0.000 0.942 245 L HN 0.310 nan 8.230 nan 0.000 0.452 246 Y N -0.489 119.701 120.300 -0.183 0.000 2.269 246 Y HA -0.033 4.488 4.550 -0.049 0.000 0.294 246 Y C 1.586 177.323 175.900 -0.272 0.000 1.120 246 Y CA 0.840 58.783 58.100 -0.261 0.000 1.159 246 Y CB 0.325 38.555 38.460 -0.383 0.000 1.024 246 Y HN 0.132 nan 8.280 nan 0.000 0.532 247 H N 1.219 120.156 119.070 -0.223 0.000 2.983 247 H HA 0.167 4.694 4.556 -0.050 0.000 0.222 247 H C -0.819 174.474 175.328 -0.059 0.000 1.828 247 H CA 0.422 56.330 56.048 -0.234 0.000 1.309 247 H CB -1.198 28.489 29.762 -0.125 0.000 1.644 247 H HN 0.377 nan 8.280 nan 0.000 0.561 248 H N 0.198 119.198 119.070 -0.116 0.000 3.086 248 H HA 0.105 4.632 4.556 -0.049 0.000 0.353 248 H C -2.024 173.263 175.328 -0.069 0.000 1.134 248 H CA -1.325 54.684 56.048 -0.064 0.000 1.248 248 H CB 2.471 32.198 29.762 -0.059 0.000 1.878 248 H HN 0.085 nan 8.280 nan 0.000 0.527 249 P HA -0.089 nan 4.420 nan 0.000 0.215 249 P C -0.146 177.211 177.300 0.095 0.000 1.157 249 P CA 1.372 64.448 63.100 -0.041 0.000 0.874 249 P CB 0.421 32.066 31.700 -0.092 0.000 0.790 250 D N -2.809 117.761 120.400 0.285 0.000 2.527 250 D HA 0.355 4.965 4.640 -0.049 0.000 0.242 250 D C 0.529 177.017 176.300 0.312 0.000 1.285 250 D CA -0.301 53.845 54.000 0.244 0.000 0.886 250 D CB 0.229 41.128 40.800 0.166 0.000 1.402 250 D HN -0.100 nan 8.370 nan 0.000 0.528 251 A N 1.338 124.259 122.820 0.168 0.000 1.968 251 A HA -0.017 4.273 4.320 -0.049 0.000 0.217 251 A C 2.052 179.680 177.584 0.072 0.000 1.169 251 A CA 1.126 53.099 52.037 -0.106 0.000 0.638 251 A CB -0.092 18.800 19.000 -0.180 0.000 0.812 251 A HN 0.382 nan 8.150 nan 0.000 0.446 252 V N -0.005 119.955 119.914 0.077 0.000 2.295 252 V HA -0.184 3.906 4.120 -0.049 0.000 0.246 252 V C 2.822 178.974 176.094 0.096 0.000 1.049 252 V CA 2.029 64.373 62.300 0.074 0.000 1.024 252 V CB -1.439 30.404 31.823 0.033 0.000 0.648 252 V HN 0.581 nan 8.190 nan 0.000 0.447 253 G N -1.760 107.104 108.800 0.105 0.000 2.422 253 G HA2 -0.310 3.620 3.960 -0.049 0.000 0.218 253 G HA3 -0.310 3.620 3.960 -0.049 0.000 0.218 253 G C 1.374 176.343 174.900 0.115 0.000 1.146 253 G CA 0.670 45.824 45.100 0.090 0.000 0.769 253 G HN 0.622 nan 8.290 nan 0.000 0.547 254 W N 0.986 122.288 121.300 0.003 0.000 2.354 254 W HA 0.004 4.634 4.660 -0.049 0.000 0.315 254 W C 2.374 178.898 176.519 0.007 0.000 1.206 254 W CA 1.191 58.535 57.345 -0.002 0.000 1.290 254 W CB -0.239 29.175 29.460 -0.076 0.000 1.152 254 W HN 0.113 nan 8.180 nan 0.000 0.489 255 L N -0.104 121.378 121.223 0.432 0.000 2.083 255 L HA -0.279 4.031 4.340 -0.049 0.000 0.209 255 L C 2.491 179.378 176.870 0.028 0.000 1.083 255 L CA 1.318 56.373 54.840 0.360 0.000 0.752 255 L CB -0.829 41.443 42.059 0.355 0.000 0.899 255 L HN 0.105 nan 8.230 nan 0.000 0.433 256 M N 0.069 119.661 119.600 -0.013 0.000 2.065 256 M HA -0.253 4.198 4.480 -0.049 0.000 0.259 256 M C 1.822 178.017 176.300 -0.175 0.000 1.071 256 M CA 1.878 57.121 55.300 -0.095 0.000 1.109 256 M CB -0.566 32.005 32.600 -0.049 0.000 1.313 256 M HN 0.134 nan 8.290 nan 0.000 0.408 257 D N -1.141 119.143 120.400 -0.194 0.000 2.149 257 D HA -0.142 4.469 4.640 -0.049 0.000 0.198 257 D C 2.158 178.263 176.300 -0.325 0.000 0.990 257 D CA 1.576 55.427 54.000 -0.249 0.000 0.839 257 D CB -0.409 40.227 40.800 -0.273 0.000 0.948 257 D HN 0.394 nan 8.370 nan 0.000 0.460 258 S N 0.146 115.592 115.700 -0.422 0.000 2.357 258 S HA -0.102 4.338 4.470 -0.049 0.000 0.221 258 S C 2.057 176.460 174.600 -0.329 0.000 1.031 258 S CA 0.882 58.852 58.200 -0.383 0.000 0.982 258 S CB -0.124 62.828 63.200 -0.413 0.000 0.853 258 S HN 0.266 nan 8.310 nan 0.000 0.458 259 L N 0.420 121.296 121.223 -0.580 0.000 2.156 259 L HA 0.212 4.522 4.340 -0.049 0.000 0.208 259 L C 2.078 178.682 176.870 -0.443 0.000 1.095 259 L CA 1.496 55.796 54.840 -0.899 0.000 0.770 259 L CB -0.818 40.507 42.059 -1.224 0.000 0.914 259 L HN 0.244 nan 8.230 nan 0.000 0.439 260 L N 0.383 121.419 121.223 -0.311 0.000 2.109 260 L HA -0.019 4.291 4.340 -0.049 0.000 0.207 260 L C 2.859 179.627 176.870 -0.169 0.000 1.086 260 L CA 0.964 55.681 54.840 -0.205 0.000 0.760 260 L CB -0.754 41.208 42.059 -0.163 0.000 0.910 260 L HN 0.446 nan 8.230 nan 0.000 0.437 261 A N -0.213 122.499 122.820 -0.181 0.000 2.121 261 A HA 0.036 4.327 4.320 -0.049 0.000 0.218 261 A C 2.182 179.696 177.584 -0.117 0.000 1.154 261 A CA 1.317 53.269 52.037 -0.141 0.000 0.679 261 A CB -0.390 18.518 19.000 -0.154 0.000 0.795 261 A HN 0.367 nan 8.150 nan 0.000 0.458 262 A N -1.794 120.947 122.820 -0.132 0.000 2.308 262 A HA 0.454 4.744 4.320 -0.049 0.000 0.217 262 A C 1.556 179.092 177.584 -0.081 0.000 1.216 262 A CA 0.949 52.933 52.037 -0.088 0.000 0.864 262 A CB -0.717 18.248 19.000 -0.058 0.000 0.902 262 A HN 1.763 nan 8.150 nan 0.000 0.499 263 G N -1.357 107.385 108.800 -0.096 0.000 2.137 263 G HA2 -0.152 3.778 3.960 -0.049 0.000 0.237 263 G HA3 -0.152 3.778 3.960 -0.049 0.000 0.237 263 G C -0.261 174.590 174.900 -0.081 0.000 1.002 263 G CA 0.325 45.379 45.100 -0.076 0.000 0.702 263 G HN 0.338 nan 8.290 nan 0.000 0.515 264 L N -0.060 121.089 121.223 -0.124 0.000 2.334 264 L HA 0.818 5.128 4.340 -0.049 0.000 0.270 264 L C 0.651 177.441 176.870 -0.133 0.000 1.018 264 L CA -1.139 53.626 54.840 -0.126 0.000 0.811 264 L CB 1.250 43.200 42.059 -0.182 0.000 1.271 264 L HN 0.072 nan 8.230 nan 0.000 0.443 265 R N 2.176 122.618 120.500 -0.097 0.000 2.540 265 R HA 0.392 4.702 4.340 -0.049 0.000 0.287 265 R C -1.730 174.517 176.300 -0.089 0.000 0.980 265 R CA -2.162 53.887 56.100 -0.084 0.000 0.966 265 R CB 0.726 30.996 30.300 -0.051 0.000 1.106 265 R HN 0.324 nan 8.270 nan 0.000 0.480 266 P HA -0.222 nan 4.420 nan 0.000 0.216 266 P C 0.548 177.831 177.300 -0.029 0.000 1.157 266 P CA 1.584 64.646 63.100 -0.064 0.000 0.880 266 P CB 0.061 31.733 31.700 -0.048 0.000 0.791 267 D N -0.623 119.766 120.400 -0.017 0.000 2.371 267 D HA -0.170 4.441 4.640 -0.049 0.000 0.221 267 D C 1.821 178.131 176.300 0.016 0.000 0.986 267 D CA 0.533 54.535 54.000 0.003 0.000 0.899 267 D CB -0.528 40.273 40.800 0.002 0.000 0.902 267 D HN 0.304 nan 8.370 nan 0.000 0.530 268 Q N 0.261 120.066 119.800 0.008 0.000 2.389 268 Q HA 0.070 4.381 4.340 -0.049 0.000 0.204 268 Q C -0.009 176.026 176.000 0.059 0.000 0.944 268 Q CA 0.163 55.985 55.803 0.032 0.000 0.908 268 Q CB 0.686 29.434 28.738 0.015 0.000 1.002 268 Q HN 0.079 nan 8.270 nan 0.000 0.493 269 V N 1.673 121.615 119.914 0.048 0.000 2.398 269 V HA 0.323 4.413 4.120 -0.049 0.000 0.286 269 V C -0.500 175.655 176.094 0.101 0.000 1.026 269 V CA -0.555 61.803 62.300 0.097 0.000 0.868 269 V CB 1.514 33.391 31.823 0.091 0.000 0.982 269 V HN 0.189 nan 8.190 nan 0.000 0.443 270 L N 6.010 127.306 121.223 0.122 0.000 2.322 270 L HA 0.637 4.947 4.340 -0.049 0.000 0.281 270 L C -0.817 176.128 176.870 0.125 0.000 1.014 270 L CA -0.455 54.451 54.840 0.110 0.000 0.815 270 L CB 1.351 43.468 42.059 0.098 0.000 1.247 270 L HN 0.447 nan 8.230 nan 0.000 0.421 271 I N 4.155 124.797 120.570 0.119 0.000 2.307 271 I HA 0.318 4.459 4.170 -0.049 0.000 0.289 271 I C -0.066 176.129 176.117 0.130 0.000 1.021 271 I CA -0.268 61.106 61.300 0.124 0.000 1.224 271 I CB 1.026 39.093 38.000 0.112 0.000 1.376 271 I HN 0.682 nan 8.210 nan 0.000 0.470 272 E N 5.478 125.752 120.200 0.124 0.000 2.229 272 E HA 0.459 4.779 4.350 -0.049 0.000 0.283 272 E C -0.280 176.393 176.600 0.122 0.000 1.030 272 E CA -0.375 56.096 56.400 0.119 0.000 0.836 272 E CB 2.153 31.914 29.700 0.103 0.000 1.068 272 E HN 0.532 nan 8.360 nan 0.000 0.401 282 F N 2.037 121.940 119.950 -0.078 0.000 2.456 282 F HA -0.022 4.474 4.527 -0.051 0.000 0.298 282 F C 2.404 178.177 175.800 -0.045 0.000 1.104 282 F CA 1.921 59.891 58.000 -0.050 0.000 1.435 282 F CB 0.184 39.170 39.000 -0.023 0.000 1.078 282 F HN 0.636 nan 8.300 nan 0.000 0.546 283 D N 0.449 120.900 120.400 0.084 0.000 2.085 283 D HA -0.217 4.393 4.640 -0.049 0.000 0.199 283 D C 1.760 177.999 176.300 -0.101 0.000 0.981 283 D CA 1.494 55.495 54.000 0.002 0.000 0.834 283 D CB -1.004 39.783 40.800 -0.021 0.000 0.992 283 D HN 0.468 nan 8.370 nan 0.000 0.457 284 Q N -0.533 119.101 119.800 -0.277 0.000 2.311 284 Q HA -0.047 4.263 4.340 -0.049 0.000 0.203 284 Q C 2.061 177.868 176.000 -0.321 0.000 0.954 284 Q CA 0.432 55.879 55.803 -0.593 0.000 0.885 284 Q CB -0.594 27.259 28.738 -1.476 0.000 0.963 284 Q HN 0.292 nan 8.270 nan 0.000 0.471 285 F N 1.631 121.382 119.950 -0.331 0.000 2.325 285 F HA 0.076 4.574 4.527 -0.047 0.000 0.299 285 F C 2.236 177.895 175.800 -0.236 0.000 1.090 285 F CA 0.609 58.437 58.000 -0.286 0.000 1.392 285 F CB 0.251 39.048 39.000 -0.337 0.000 1.053 285 F HN -0.072 nan 8.300 nan 0.000 0.521 286 R N 0.362 120.800 120.500 -0.102 0.000 2.070 286 R HA -0.141 4.169 4.340 -0.049 0.000 0.233 286 R C 2.043 178.256 176.300 -0.146 0.000 1.137 286 R CA 1.699 57.733 56.100 -0.110 0.000 0.945 286 R CB -0.354 29.936 30.300 -0.016 0.000 0.845 286 R HN 0.230 nan 8.270 nan 0.000 0.430 287 K N 0.166 120.503 120.400 -0.106 0.000 2.366 287 K HA -0.005 4.285 4.320 -0.049 0.000 0.198 287 K C 1.946 178.481 176.600 -0.109 0.000 1.044 287 K CA 0.508 56.751 56.287 -0.074 0.000 0.973 287 K CB 0.257 32.747 32.500 -0.016 0.000 0.767 287 K HN 0.005 nan 8.250 nan 0.000 0.475 288 V N 1.733 121.534 119.914 -0.189 0.000 2.346 288 V HA -0.189 3.902 4.120 -0.049 0.000 0.244 288 V C 2.080 177.983 176.094 -0.318 0.000 1.037 288 V CA 1.203 63.365 62.300 -0.230 0.000 1.029 288 V CB -0.267 31.393 31.823 -0.270 0.000 0.663 288 V HN 0.368 nan 8.190 nan 0.000 0.454 289 L N 0.538 121.450 121.223 -0.518 0.000 2.083 289 L HA -0.198 4.112 4.340 -0.049 0.000 0.209 289 L C 2.443 179.189 176.870 -0.206 0.000 1.083 289 L CA 2.281 56.849 54.840 -0.454 0.000 0.752 289 L CB -0.719 40.968 42.059 -0.620 0.000 0.899 289 L HN 0.398 nan 8.230 nan 0.000 0.433 290 K N -0.068 120.235 120.400 -0.162 0.000 2.009 290 K HA -0.203 4.087 4.320 -0.049 0.000 0.210 290 K C 2.006 178.570 176.600 -0.060 0.000 1.049 290 K CA 1.806 58.046 56.287 -0.078 0.000 0.929 290 K CB -0.114 32.351 32.500 -0.059 0.000 0.714 290 K HN 0.403 nan 8.250 nan 0.000 0.440 291 A N 0.948 123.727 122.820 -0.068 0.000 1.930 291 A HA -0.080 4.211 4.320 -0.049 0.000 0.217 291 A C 2.106 179.668 177.584 -0.037 0.000 1.175 291 A CA 1.149 53.161 52.037 -0.041 0.000 0.627 291 A CB -0.490 18.491 19.000 -0.032 0.000 0.815 291 A HN 0.332 nan 8.150 nan 0.000 0.443 292 L N -1.130 120.056 121.223 -0.061 0.000 2.093 292 L HA -0.144 4.167 4.340 -0.049 0.000 0.208 292 L C 2.871 179.728 176.870 -0.021 0.000 1.085 292 L CA 0.905 55.721 54.840 -0.041 0.000 0.755 292 L CB -0.403 41.615 42.059 -0.068 0.000 0.904 292 L HN 0.282 nan 8.230 nan 0.000 0.435 293 R N -0.300 120.185 120.500 -0.025 0.000 2.066 293 R HA -0.086 4.225 4.340 -0.049 0.000 0.232 293 R C 2.203 178.502 176.300 -0.002 0.000 1.131 293 R CA 1.181 57.279 56.100 -0.002 0.000 0.955 293 R CB -0.675 29.628 30.300 0.005 0.000 0.851 293 R HN 0.235 nan 8.270 nan 0.000 0.432 294 V N 1.115 121.025 119.914 -0.008 0.000 2.515 294 V HA -0.168 3.923 4.120 -0.049 0.000 0.250 294 V C 2.480 178.570 176.094 -0.007 0.000 1.058 294 V CA 1.657 63.953 62.300 -0.006 0.000 1.064 294 V CB -0.721 31.097 31.823 -0.008 0.000 0.675 294 V HN 0.306 nan 8.190 nan 0.000 0.461 295 A N -0.458 122.356 122.820 -0.009 0.000 1.969 295 A HA 0.214 4.504 4.320 -0.049 0.000 0.218 295 A C 2.120 179.697 177.584 -0.012 0.000 1.169 295 A CA 1.762 53.792 52.037 -0.011 0.000 0.635 295 A CB -0.498 18.497 19.000 -0.008 0.000 0.810 295 A HN 1.216 nan 8.150 nan 0.000 0.445 296 G N -2.880 105.917 108.800 -0.005 0.000 2.192 296 G HA2 -0.165 3.766 3.960 -0.049 0.000 0.193 296 G HA3 -0.165 3.766 3.960 -0.049 0.000 0.193 296 G C 0.173 175.076 174.900 0.005 0.000 0.999 296 G CA 0.115 45.214 45.100 -0.002 0.000 0.659 296 G HN 0.338 nan 8.290 nan 0.000 0.503 297 M N 0.184 119.791 119.600 0.011 0.000 2.247 297 M HA 0.556 5.007 4.480 -0.049 0.000 0.326 297 M C 0.608 176.932 176.300 0.040 0.000 1.134 297 M CA -0.081 55.235 55.300 0.027 0.000 1.136 297 M CB 0.805 33.427 32.600 0.037 0.000 1.454 297 M HN 0.016 nan 8.290 nan 0.000 0.467 298 K N 1.255 121.689 120.400 0.056 0.000 2.087 298 K HA 0.697 4.987 4.320 -0.049 0.000 0.255 298 K C -1.359 175.294 176.600 0.088 0.000 0.988 298 K CA -0.443 55.885 56.287 0.068 0.000 0.915 298 K CB 1.176 33.716 32.500 0.066 0.000 1.043 298 K HN 0.440 nan 8.250 nan 0.000 0.457 299 L N 0.785 122.075 121.223 0.110 0.000 2.381 299 L HA 0.793 5.103 4.340 -0.049 0.000 0.268 299 L C -1.307 175.662 176.870 0.164 0.000 0.997 299 L CA -0.198 54.734 54.840 0.153 0.000 0.818 299 L CB 1.913 44.092 42.059 0.200 0.000 1.310 299 L HN 0.767 nan 8.230 nan 0.000 0.416 315 T N -1.937 112.615 114.554 -0.003 0.000 2.904 315 T HA -0.027 4.294 4.350 -0.049 0.000 0.267 315 T C 1.823 176.559 174.700 0.060 0.000 1.059 315 T CA 0.503 62.614 62.100 0.017 0.000 1.137 315 T CB -0.094 68.782 68.868 0.014 0.000 0.879 315 T HN 0.115 nan 8.240 nan 0.000 0.467 316 R N 1.240 121.811 120.500 0.118 0.000 2.055 316 R HA 0.229 4.539 4.340 -0.049 0.000 0.228 316 R C 0.898 177.380 176.300 0.304 0.000 1.143 316 R CA 0.851 57.078 56.100 0.212 0.000 0.945 316 R CB -0.631 29.863 30.300 0.323 0.000 0.841 316 R HN 0.641 nan 8.270 nan 0.000 0.429 317 F N -0.750 119.262 119.950 0.103 0.000 2.662 317 F HA 0.568 5.065 4.527 -0.049 0.000 0.312 317 F C -1.831 174.021 175.800 0.085 0.000 1.113 317 F CA -1.602 56.458 58.000 0.100 0.000 0.951 317 F CB 1.377 40.465 39.000 0.146 0.000 1.344 317 F HN -0.283 nan 8.300 nan 0.000 0.462 318 Q N 3.040 122.736 119.800 -0.172 0.000 2.321 318 Q HA 0.543 4.854 4.340 -0.049 0.000 0.270 318 Q C -2.690 173.244 176.000 -0.109 0.000 1.032 318 Q CA -1.834 53.801 55.803 -0.281 0.000 0.784 318 Q CB 2.142 30.823 28.738 -0.096 0.000 1.264 318 Q HN 0.486 nan 8.270 nan 0.000 0.448 319 P HA 0.142 nan 4.420 nan 0.000 0.276 319 P C -0.477 176.848 177.300 0.042 0.000 1.261 319 P CA -0.277 62.865 63.100 0.070 0.000 0.800 319 P CB 1.172 32.910 31.700 0.064 0.000 1.066 320 D N -0.575 119.870 120.400 0.075 0.000 2.277 320 D HA -0.032 4.579 4.640 -0.049 0.000 0.208 320 D C 0.659 176.976 176.300 0.029 0.000 0.962 320 D CA 1.405 55.434 54.000 0.047 0.000 0.865 320 D CB 0.648 41.482 40.800 0.058 0.000 0.939 320 D HN 0.367 nan 8.370 nan 0.000 0.510 321 K N 0.554 120.975 120.400 0.034 0.000 2.501 321 K HA 0.455 4.746 4.320 -0.049 0.000 0.252 321 K C -1.682 174.925 176.600 0.011 0.000 0.934 321 K CA -0.523 55.775 56.287 0.018 0.000 0.797 321 K CB 2.120 34.636 32.500 0.027 0.000 1.270 321 K HN -0.201 nan 8.250 nan 0.000 0.431 322 I N 3.858 124.423 120.570 -0.010 0.000 2.406 322 I HA 0.301 4.441 4.170 -0.049 0.000 0.290 322 I C -0.608 175.499 176.117 -0.016 0.000 0.999 322 I CA -0.840 60.451 61.300 -0.015 0.000 1.124 322 I CB 1.890 39.871 38.000 -0.032 0.000 1.289 322 I HN 0.399 nan 8.210 nan 0.000 0.441 323 K N 6.205 126.601 120.400 -0.007 0.000 2.334 323 K HA 0.383 4.674 4.320 -0.049 0.000 0.265 323 K C -0.805 175.790 176.600 -0.008 0.000 1.039 323 K CA -0.695 55.587 56.287 -0.008 0.000 0.920 323 K CB 1.859 34.362 32.500 0.006 0.000 1.160 323 K HN 0.299 nan 8.250 nan 0.000 0.451 324 V N 3.397 123.302 119.914 -0.015 0.000 2.434 324 V HA -0.103 3.987 4.120 -0.049 0.000 0.281 324 V C 0.660 176.757 176.094 0.006 0.000 1.005 324 V CA 0.187 62.484 62.300 -0.006 0.000 1.089 324 V CB -0.204 31.615 31.823 -0.006 0.000 0.978 324 V HN 0.692 nan 8.190 nan 0.000 0.474 325 D N 4.486 124.890 120.400 0.006 0.000 2.390 325 D HA 0.195 4.805 4.640 -0.049 0.000 0.236 325 D C 1.179 177.487 176.300 0.014 0.000 1.189 325 D CA 0.644 54.649 54.000 0.008 0.000 0.887 325 D CB 1.265 42.067 40.800 0.004 0.000 1.198 325 D HN 0.561 nan 8.370 nan 0.000 0.444 326 A N 2.096 124.922 122.820 0.009 0.000 2.019 326 A HA -0.156 4.134 4.320 -0.049 0.000 0.219 326 A C 1.872 179.466 177.584 0.016 0.000 1.164 326 A CA 1.392 53.435 52.037 0.010 0.000 0.644 326 A CB -0.455 18.538 19.000 -0.011 0.000 0.805 326 A HN 0.616 nan 8.150 nan 0.000 0.449 327 E N -0.325 119.881 120.200 0.011 0.000 2.216 327 E HA 0.049 4.369 4.350 -0.049 0.000 0.192 327 E C 1.785 178.389 176.600 0.007 0.000 0.988 327 E CA 0.478 56.882 56.400 0.008 0.000 0.834 327 E CB -0.205 29.497 29.700 0.003 0.000 0.772 327 E HN 0.641 nan 8.360 nan 0.000 0.479 328 L N -0.749 120.481 121.223 0.011 0.000 2.240 328 L HA -0.062 4.248 4.340 -0.049 0.000 0.211 328 L C 1.978 178.866 176.870 0.029 0.000 1.106 328 L CA 0.366 55.213 54.840 0.012 0.000 0.793 328 L CB -0.034 42.032 42.059 0.012 0.000 0.927 328 L HN 0.059 nan 8.230 nan 0.000 0.446 329 V N -0.610 119.332 119.914 0.047 0.000 2.488 329 V HA -0.127 3.964 4.120 -0.049 0.000 0.246 329 V C 1.535 177.676 176.094 0.079 0.000 1.046 329 V CA 0.584 62.933 62.300 0.082 0.000 1.053 329 V CB -0.468 31.416 31.823 0.100 0.000 0.679 329 V HN 0.353 nan 8.190 nan 0.000 0.458 330 R N 1.190 121.721 120.500 0.052 0.000 2.458 330 R HA -0.045 4.265 4.340 -0.049 0.000 0.303 330 R C -0.014 176.307 176.300 0.035 0.000 1.013 330 R CA 0.387 56.517 56.100 0.050 0.000 1.026 330 R CB -0.235 30.083 30.300 0.030 0.000 0.948 330 R HN 0.434 nan 8.270 nan 0.000 0.417 331 D N 3.266 123.711 120.400 0.076 0.000 2.772 331 D HA -0.258 4.353 4.640 -0.049 0.000 0.233 331 D C 0.673 176.892 176.300 -0.136 0.000 1.143 331 D CA 1.050 55.036 54.000 -0.023 0.000 0.700 331 D CB -1.112 39.626 40.800 -0.102 0.000 1.076 331 D HN 0.708 nan 8.370 nan 0.000 0.430 332 I N 0.485 121.057 120.570 0.002 0.000 2.614 332 I HA -0.250 3.891 4.170 -0.049 0.000 0.258 332 I C 2.385 178.325 176.117 -0.294 0.000 1.189 332 I CA 1.051 62.309 61.300 -0.070 0.000 1.462 332 I CB 0.077 38.115 38.000 0.063 0.000 1.092 332 I HN 0.275 nan 8.210 nan 0.000 0.442 333 H N 1.190 119.951 119.070 -0.515 0.000 2.495 333 H HA -0.082 4.447 4.556 -0.044 0.000 0.287 333 H C 1.806 176.567 175.328 -0.945 0.000 1.033 333 H CA 1.570 56.892 56.048 -1.211 0.000 1.307 333 H CB -0.668 28.570 29.762 -0.874 0.000 1.401 333 H HN 0.596 nan 8.280 nan 0.000 0.555 334 I N -1.817 118.200 120.570 -0.922 0.000 4.018 334 I HA 0.307 4.448 4.170 -0.049 0.000 0.337 334 I C 0.324 176.222 176.117 -0.366 0.000 1.327 334 I CA -0.370 60.577 61.300 -0.588 0.000 1.100 334 I CB 0.657 38.334 38.000 -0.539 0.000 1.025 334 I HN 0.001 nan 8.210 nan 0.000 0.396 335 S N 1.419 116.905 115.700 -0.356 0.000 2.520 335 S HA 0.562 5.003 4.470 -0.049 0.000 0.324 335 S C 1.184 175.655 174.600 -0.215 0.000 1.069 335 S CA -0.223 57.840 58.200 -0.229 0.000 1.121 335 S CB 1.187 64.280 63.200 -0.178 0.000 0.971 335 S HN 0.450 nan 8.310 nan 0.000 0.463 336 G N 3.305 111.998 108.800 -0.179 0.000 2.443 336 G HA2 -0.113 3.817 3.960 -0.049 0.000 0.219 336 G HA3 -0.113 3.817 3.960 -0.049 0.000 0.219 336 G C 1.201 175.990 174.900 -0.184 0.000 1.131 336 G CA 1.175 46.162 45.100 -0.188 0.000 0.775 336 G HN 0.674 nan 8.290 nan 0.000 0.547 337 T N 0.910 115.387 114.554 -0.129 0.000 2.668 337 T HA -0.065 4.256 4.350 -0.049 0.000 0.262 337 T C 2.344 176.989 174.700 -0.092 0.000 1.045 337 T CA 1.377 63.420 62.100 -0.095 0.000 1.152 337 T CB -0.163 68.662 68.868 -0.072 0.000 0.864 337 T HN 0.282 nan 8.240 nan 0.000 0.419 338 K N 0.906 121.250 120.400 -0.092 0.000 2.097 338 K HA -0.114 4.177 4.320 -0.049 0.000 0.206 338 K C 2.644 179.210 176.600 -0.057 0.000 1.049 338 K CA 1.243 57.492 56.287 -0.063 0.000 0.933 338 K CB -0.156 32.308 32.500 -0.060 0.000 0.717 338 K HN 0.408 nan 8.250 nan 0.000 0.442 339 Q N 0.061 119.794 119.800 -0.112 0.000 2.084 339 Q HA -0.155 4.155 4.340 -0.049 0.000 0.202 339 Q C 2.183 178.100 176.000 -0.140 0.000 0.978 339 Q CA 1.619 57.353 55.803 -0.115 0.000 0.844 339 Q CB -0.161 28.426 28.738 -0.252 0.000 0.898 339 Q HN 0.364 nan 8.270 nan 0.000 0.426 340 A N 0.627 123.314 122.820 -0.221 0.000 1.898 340 A HA -0.149 4.142 4.320 -0.049 0.000 0.216 340 A C 2.018 179.619 177.584 0.028 0.000 1.181 340 A CA 1.040 53.027 52.037 -0.083 0.000 0.620 340 A CB -0.557 18.392 19.000 -0.084 0.000 0.819 340 A HN 0.296 nan 8.150 nan 0.000 0.442 341 I N -0.407 120.162 120.570 -0.001 0.000 2.179 341 I HA -0.212 3.929 4.170 -0.049 0.000 0.242 341 I C 2.337 178.473 176.117 0.031 0.000 1.088 341 I CA 1.198 62.506 61.300 0.014 0.000 1.357 341 I CB -0.356 37.643 38.000 -0.001 0.000 1.051 341 I HN 0.145 nan 8.210 nan 0.000 0.409 342 V N 1.056 120.992 119.914 0.037 0.000 2.343 342 V HA -0.277 3.814 4.120 -0.049 0.000 0.247 342 V C 2.709 178.845 176.094 0.069 0.000 1.051 342 V CA 1.932 64.261 62.300 0.049 0.000 1.036 342 V CB -1.021 30.838 31.823 0.061 0.000 0.654 342 V HN 0.496 nan 8.190 nan 0.000 0.451 343 A N -0.790 122.102 122.820 0.119 0.000 1.933 343 A HA -0.230 4.061 4.320 -0.049 0.000 0.218 343 A C 2.542 180.180 177.584 0.090 0.000 1.175 343 A CA 2.174 54.297 52.037 0.143 0.000 0.628 343 A CB -0.678 18.496 19.000 0.290 0.000 0.814 343 A HN 0.476 nan 8.150 nan 0.000 0.444 344 S N -0.837 114.912 115.700 0.081 0.000 2.383 344 S HA -0.087 4.353 4.470 -0.049 0.000 0.227 344 S C 1.865 176.480 174.600 0.026 0.000 1.026 344 S CA 1.393 59.624 58.200 0.051 0.000 0.981 344 S CB -0.375 62.853 63.200 0.046 0.000 0.818 344 S HN 0.290 nan 8.310 nan 0.000 0.472 345 V N 1.264 121.190 119.914 0.021 0.000 2.358 345 V HA -0.088 4.003 4.120 -0.049 0.000 0.246 345 V C 2.429 178.520 176.094 -0.004 0.000 1.047 345 V CA 1.573 63.875 62.300 0.003 0.000 1.035 345 V CB -0.619 31.204 31.823 -0.001 0.000 0.658 345 V HN 0.381 nan 8.190 nan 0.000 0.452 346 V N -0.015 119.901 119.914 0.002 0.000 2.295 346 V HA -0.272 3.819 4.120 -0.049 0.000 0.246 346 V C 2.642 178.730 176.094 -0.010 0.000 1.049 346 V CA 2.365 64.659 62.300 -0.009 0.000 1.024 346 V CB -0.719 31.102 31.823 -0.003 0.000 0.648 346 V HN 0.437 nan 8.190 nan 0.000 0.447 347 R N -0.333 120.167 120.500 -0.000 0.000 2.075 347 R HA -0.138 4.173 4.340 -0.049 0.000 0.232 347 R C 2.310 178.605 176.300 -0.008 0.000 1.126 347 R CA 2.098 58.195 56.100 -0.004 0.000 0.963 347 R CB -1.502 28.799 30.300 0.002 0.000 0.858 347 R HN 0.595 nan 8.270 nan 0.000 0.435 348 C N -0.842 118.454 119.300 -0.007 0.000 2.432 348 C HA -0.115 4.315 4.460 -0.049 0.000 0.277 348 C C 2.760 177.738 174.990 -0.020 0.000 1.249 348 C CA 1.107 60.117 59.018 -0.013 0.000 1.725 348 C CB -1.201 26.532 27.740 -0.012 0.000 2.028 348 C HN 0.708 nan 8.230 nan 0.000 0.477 349 C N 0.278 119.564 119.300 -0.023 0.000 2.435 349 C HA -0.084 4.347 4.460 -0.049 0.000 0.279 349 C C 2.582 177.558 174.990 -0.024 0.000 1.321 349 C CA 1.442 60.444 59.018 -0.028 0.000 1.752 349 C CB -1.612 26.109 27.740 -0.031 0.000 1.959 349 C HN 0.747 nan 8.230 nan 0.000 0.500 350 E N 1.047 121.235 120.200 -0.021 0.000 2.051 350 E HA -0.218 4.102 4.350 -0.049 0.000 0.192 350 E C 1.448 178.038 176.600 -0.016 0.000 0.991 350 E CA 1.439 57.828 56.400 -0.019 0.000 0.799 350 E CB -0.088 29.602 29.700 -0.018 0.000 0.748 350 E HN 0.551 nan 8.360 nan 0.000 0.449 351 D N 0.508 120.898 120.400 -0.015 0.000 2.117 351 D HA -0.148 4.463 4.640 -0.049 0.000 0.197 351 D C 2.046 178.338 176.300 -0.014 0.000 0.987 351 D CA 0.875 54.867 54.000 -0.014 0.000 0.829 351 D CB -0.151 40.642 40.800 -0.013 0.000 0.961 351 D HN 0.289 nan 8.370 nan 0.000 0.460 352 L N -0.447 120.765 121.223 -0.018 0.000 2.395 352 L HA 0.100 4.410 4.340 -0.049 0.000 0.218 352 L C 1.357 178.216 176.870 -0.017 0.000 1.130 352 L CA 0.572 55.400 54.840 -0.021 0.000 0.826 352 L CB -0.291 41.749 42.059 -0.032 0.000 0.941 352 L HN 0.126 nan 8.230 nan 0.000 0.451 353 G N 1.238 110.029 108.800 -0.016 0.000 2.171 353 G HA2 -0.258 3.672 3.960 -0.049 0.000 0.238 353 G HA3 -0.258 3.672 3.960 -0.049 0.000 0.238 353 G C -0.042 174.850 174.900 -0.012 0.000 1.039 353 G CA -0.239 44.854 45.100 -0.012 0.000 0.759 353 G HN 0.278 nan 8.290 nan 0.000 0.501 354 I N 1.195 121.753 120.570 -0.019 0.000 2.377 354 I HA 0.292 4.432 4.170 -0.049 0.000 0.293 354 I C 0.899 177.002 176.117 -0.022 0.000 0.987 354 I CA -0.758 60.529 61.300 -0.021 0.000 1.185 354 I CB 1.616 39.596 38.000 -0.035 0.000 1.341 354 I HN 0.035 nan 8.210 nan 0.000 0.455 355 T N 5.633 120.177 114.554 -0.016 0.000 2.916 355 T HA 0.222 4.543 4.350 -0.049 0.000 0.303 355 T C -0.017 174.662 174.700 -0.035 0.000 1.025 355 T CA -0.209 61.877 62.100 -0.023 0.000 1.142 355 T CB 0.701 69.561 68.868 -0.012 0.000 0.947 355 T HN 0.233 nan 8.240 nan 0.000 0.544 356 V N 4.137 124.018 119.914 -0.055 0.000 2.495 356 V HA 0.513 4.604 4.120 -0.049 0.000 0.298 356 V C -0.172 175.857 176.094 -0.110 0.000 1.031 356 V CA -0.767 61.489 62.300 -0.072 0.000 0.871 356 V CB 1.847 33.624 31.823 -0.077 0.000 0.988 356 V HN 0.663 nan 8.190 nan 0.000 0.432 357 V N 3.531 123.387 119.914 -0.098 0.000 2.531 357 V HA 0.721 4.812 4.120 -0.049 0.000 0.301 357 V C 0.340 176.369 176.094 -0.108 0.000 1.034 357 V CA -0.664 61.560 62.300 -0.126 0.000 0.865 357 V CB 1.870 33.652 31.823 -0.069 0.000 0.995 357 V HN 1.002 nan 8.190 nan 0.000 0.424 358 A N 4.771 127.491 122.820 -0.167 0.000 2.309 358 A HA 0.664 4.955 4.320 -0.049 0.000 0.290 358 A C 0.205 177.821 177.584 0.053 0.000 1.206 358 A CA -0.411 51.598 52.037 -0.046 0.000 0.850 358 A CB 0.200 19.183 19.000 -0.028 0.000 1.118 358 A HN 0.942 nan 8.150 nan 0.000 0.523 359 E N 1.641 121.872 120.200 0.051 0.000 2.235 359 E HA 0.620 4.940 4.350 -0.049 0.000 0.265 359 E C 0.458 177.080 176.600 0.037 0.000 0.940 359 E CA -0.659 55.770 56.400 0.048 0.000 0.819 359 E CB 1.248 30.955 29.700 0.013 0.000 1.206 359 E HN 1.568 nan 8.360 nan 0.000 0.409 360 G N 0.639 109.425 108.800 -0.023 0.000 2.160 360 G HA2 -0.236 3.694 3.960 -0.049 0.000 0.244 360 G HA3 -0.236 3.694 3.960 -0.049 0.000 0.244 360 G C -0.050 174.836 174.900 -0.024 0.000 1.022 360 G CA 0.060 45.105 45.100 -0.092 0.000 0.741 360 G HN 0.404 nan 8.290 nan 0.000 0.508 361 V N 0.191 120.145 119.914 0.066 0.000 2.405 361 V HA 0.314 4.404 4.120 -0.049 0.000 0.264 361 V C 1.140 177.230 176.094 -0.007 0.000 1.048 361 V CA 0.880 63.258 62.300 0.130 0.000 0.966 361 V CB 1.073 33.125 31.823 0.381 0.000 1.015 361 V HN 0.559 nan 8.190 nan 0.000 0.477 362 E N 2.064 122.258 120.200 -0.010 0.000 2.434 362 E HA 0.089 4.410 4.350 -0.049 0.000 0.207 362 E C 0.698 177.263 176.600 -0.058 0.000 0.929 362 E CA 0.322 56.713 56.400 -0.015 0.000 1.001 362 E CB 0.946 30.674 29.700 0.047 0.000 1.016 362 E HN 0.820 nan 8.360 nan 0.000 0.502 363 T N -2.610 111.915 114.554 -0.049 0.000 2.924 363 T HA 0.379 4.699 4.350 -0.049 0.000 0.291 363 T C 0.941 175.618 174.700 -0.038 0.000 1.045 363 T CA -0.738 61.329 62.100 -0.055 0.000 1.015 363 T CB 1.574 70.416 68.868 -0.044 0.000 1.103 363 T HN -0.102 nan 8.240 nan 0.000 0.496 364 L N 0.528 121.739 121.223 -0.020 0.000 2.079 364 L HA -0.113 4.198 4.340 -0.049 0.000 0.210 364 L C 2.834 179.818 176.870 0.189 0.000 1.081 364 L CA 1.668 56.565 54.840 0.095 0.000 0.752 364 L CB -0.529 41.600 42.059 0.116 0.000 0.896 364 L HN 0.823 nan 8.230 nan 0.000 0.433 365 E N -0.147 120.106 120.200 0.089 0.000 2.058 365 E HA -0.262 4.059 4.350 -0.049 0.000 0.194 365 E C 2.086 178.818 176.600 0.219 0.000 0.997 365 E CA 1.530 57.992 56.400 0.103 0.000 0.801 365 E CB -0.075 29.488 29.700 -0.227 0.000 0.746 365 E HN 0.487 nan 8.360 nan 0.000 0.450 366 E N -0.058 120.224 120.200 0.137 0.000 2.058 366 E HA -0.220 4.101 4.350 -0.049 0.000 0.194 366 E C 1.738 178.519 176.600 0.301 0.000 0.997 366 E CA 1.239 57.776 56.400 0.227 0.000 0.801 366 E CB -0.254 29.553 29.700 0.179 0.000 0.746 366 E HN 0.375 nan 8.360 nan 0.000 0.450 367 W N 1.041 122.372 121.300 0.051 0.000 2.338 367 W HA -0.265 4.365 4.660 -0.049 0.000 0.304 367 W C 2.079 178.576 176.519 -0.038 0.000 1.212 367 W CA 1.156 58.463 57.345 -0.064 0.000 1.264 367 W CB -0.648 28.661 29.460 -0.251 0.000 1.142 367 W HN 0.050 nan 8.180 nan 0.000 0.512 368 C N -0.333 118.777 119.300 -0.316 0.000 2.413 368 C HA -0.219 4.211 4.460 -0.049 0.000 0.276 368 C C 2.360 177.136 174.990 -0.357 0.000 1.236 368 C CA 1.390 60.050 59.018 -0.597 0.000 1.735 368 C CB -1.840 25.722 27.740 -0.296 0.000 2.031 368 C HN 0.575 nan 8.230 nan 0.000 0.474 369 W N 0.587 121.828 121.300 -0.098 0.000 2.418 369 W HA 0.063 4.698 4.660 -0.041 0.000 0.292 369 W C 2.333 178.869 176.519 0.029 0.000 1.213 369 W CA 0.553 57.900 57.345 0.003 0.000 1.283 369 W CB -0.641 28.869 29.460 0.083 0.000 1.119 369 W HN 0.235 nan 8.180 nan 0.000 0.542 370 L N -0.271 121.114 121.223 0.270 0.000 2.093 370 L HA -0.222 4.088 4.340 -0.049 0.000 0.208 370 L C 2.552 179.521 176.870 0.165 0.000 1.085 370 L CA 1.428 56.424 54.840 0.260 0.000 0.755 370 L CB -0.737 41.586 42.059 0.440 0.000 0.904 370 L HN 0.043 nan 8.230 nan 0.000 0.435 371 Q N -0.381 119.443 119.800 0.039 0.000 2.172 371 Q HA -0.179 4.131 4.340 -0.049 0.000 0.200 371 Q C 2.326 178.265 176.000 -0.101 0.000 0.964 371 Q CA 1.603 57.368 55.803 -0.064 0.000 0.855 371 Q CB 0.097 28.584 28.738 -0.418 0.000 0.918 371 Q HN 0.579 nan 8.270 nan 0.000 0.444 372 S N -0.627 114.995 115.700 -0.129 0.000 2.423 372 S HA -0.103 4.338 4.470 -0.049 0.000 0.231 372 S C 1.703 176.298 174.600 -0.009 0.000 1.014 372 S CA 1.002 59.134 58.200 -0.114 0.000 0.965 372 S CB -0.324 62.749 63.200 -0.211 0.000 0.785 372 S HN 0.364 nan 8.310 nan 0.000 0.495 373 V N -2.325 117.632 119.914 0.072 0.000 3.596 373 V HA 0.714 4.805 4.120 -0.049 0.000 0.289 373 V C 1.334 177.458 176.094 0.051 0.000 1.336 373 V CA 0.135 62.501 62.300 0.111 0.000 1.137 373 V CB -0.806 31.150 31.823 0.221 0.000 0.966 373 V HN 0.792 nan 8.190 nan 0.000 0.428 374 G N 0.461 109.270 108.800 0.015 0.000 2.168 374 G HA2 -0.146 3.785 3.960 -0.049 0.000 0.197 374 G HA3 -0.146 3.785 3.960 -0.049 0.000 0.197 374 G C -0.164 174.717 174.900 -0.033 0.000 0.997 374 G CA -0.070 45.024 45.100 -0.009 0.000 0.658 374 G HN 0.430 nan 8.290 nan 0.000 0.513 375 I N 0.780 121.324 120.570 -0.044 0.000 2.496 375 I HA 0.357 4.497 4.170 -0.049 0.000 0.285 375 I C 1.214 177.222 176.117 -0.183 0.000 1.080 375 I CA -0.076 61.110 61.300 -0.191 0.000 1.404 375 I CB 1.187 38.996 38.000 -0.319 0.000 1.403 375 I HN 0.035 nan 8.210 nan 0.000 0.539 376 R N 4.848 125.203 120.500 -0.242 0.000 2.453 376 R HA 0.402 4.712 4.340 -0.049 0.000 0.233 376 R C -0.152 176.086 176.300 -0.103 0.000 0.895 376 R CA 0.119 56.194 56.100 -0.041 0.000 1.028 376 R CB 0.547 30.847 30.300 -0.000 0.000 1.255 376 R HN 0.467 nan 8.270 nan 0.000 0.571 377 L N 1.266 122.251 121.223 -0.396 0.000 2.322 377 L HA 0.529 4.839 4.340 -0.049 0.000 0.281 377 L C -0.986 175.567 176.870 -0.529 0.000 1.014 377 L CA -0.609 54.062 54.840 -0.281 0.000 0.815 377 L CB 1.324 43.286 42.059 -0.161 0.000 1.247 377 L HN -0.211 nan 8.230 nan 0.000 0.421 378 F N 1.219 121.105 119.950 -0.106 0.000 2.565 378 F HA 0.509 5.006 4.527 -0.051 0.000 0.313 378 F C -0.099 175.639 175.800 -0.103 0.000 1.091 378 F CA -0.591 57.351 58.000 -0.097 0.000 0.915 378 F CB 2.203 41.068 39.000 -0.225 0.000 1.208 378 F HN 0.356 nan 8.300 nan 0.000 0.453 379 Q N 1.633 121.554 119.800 0.201 0.000 2.304 379 Q HA 0.742 5.052 4.340 -0.049 0.000 0.270 379 Q C -0.802 175.307 176.000 0.182 0.000 1.035 379 Q CA -0.611 55.276 55.803 0.140 0.000 0.781 379 Q CB 2.403 31.174 28.738 0.055 0.000 1.261 379 Q HN 0.999 nan 8.270 nan 0.000 0.444 380 G N 1.272 110.184 108.800 0.187 0.000 2.316 380 G HA2 0.150 4.081 3.960 -0.049 0.000 0.296 380 G HA3 0.150 4.081 3.960 -0.049 0.000 0.296 380 G C -0.783 174.167 174.900 0.082 0.000 1.399 380 G CA -0.743 44.374 45.100 0.027 0.000 0.833 380 G HN 0.447 nan 8.290 nan 0.000 0.565 381 F N -0.079 119.877 119.950 0.010 0.000 2.365 381 F HA 0.078 4.576 4.527 -0.049 0.000 0.300 381 F C 2.583 178.294 175.800 -0.149 0.000 1.090 381 F CA 0.691 58.663 58.000 -0.047 0.000 1.408 381 F CB -0.483 38.494 39.000 -0.038 0.000 1.060 381 F HN 0.301 nan 8.300 nan 0.000 0.534 382 L N -1.084 120.067 121.223 -0.120 0.000 2.083 382 L HA -0.199 4.112 4.340 -0.049 0.000 0.209 382 L C 1.857 178.378 176.870 -0.581 0.000 1.083 382 L CA 1.973 56.535 54.840 -0.463 0.000 0.752 382 L CB -0.583 40.970 42.059 -0.843 0.000 0.899 382 L HN -0.006 nan 8.230 nan 0.000 0.433 383 F N -2.372 117.489 119.950 -0.147 0.000 2.315 383 F HA 0.283 4.780 4.527 -0.050 0.000 0.284 383 F C 1.199 176.855 175.800 -0.241 0.000 1.049 383 F CA 0.399 58.232 58.000 -0.279 0.000 1.323 383 F CB -0.471 38.342 39.000 -0.312 0.000 1.113 383 F HN -0.055 nan 8.300 nan 0.000 0.544 384 S N -0.080 115.674 115.700 0.090 0.000 2.649 384 S HA 0.479 4.919 4.470 -0.049 0.000 0.274 384 S C -0.846 173.849 174.600 0.160 0.000 1.176 384 S CA -0.768 57.467 58.200 0.058 0.000 0.988 384 S CB 0.796 64.007 63.200 0.019 0.000 1.071 384 S HN 0.069 nan 8.310 nan 0.000 0.478 385 R N 3.201 123.784 120.500 0.138 0.000 2.459 385 R HA 0.419 4.730 4.340 -0.049 0.000 0.281 385 R C -2.524 173.873 176.300 0.161 0.000 1.050 385 R CA -1.890 54.324 56.100 0.189 0.000 1.055 385 R CB 0.318 30.623 30.300 0.008 0.000 1.045 385 R HN 0.395 nan 8.270 nan 0.000 0.495 386 P HA -0.089 nan 4.420 nan 0.000 0.265 386 P C -0.754 176.611 177.300 0.108 0.000 1.187 386 P CA -0.028 63.172 63.100 0.166 0.000 0.766 386 P CB 0.472 32.282 31.700 0.183 0.000 0.820 387 C N 5.754 125.117 119.300 0.105 0.000 2.344 387 C HA 0.405 4.836 4.460 -0.049 0.000 0.326 387 C C -0.317 174.715 174.990 0.070 0.000 1.201 387 C CA -0.967 58.095 59.018 0.073 0.000 1.410 387 C CB -0.737 27.041 27.740 0.064 0.000 2.070 387 C HN 0.501 nan 8.230 nan 0.000 0.445 388 L N 7.561 128.821 121.223 0.061 0.000 2.597 388 L HA 0.240 4.551 4.340 -0.049 0.000 0.271 388 L C 0.849 177.756 176.870 0.063 0.000 1.157 388 L CA 1.199 56.079 54.840 0.066 0.000 0.928 388 L CB -0.395 41.702 42.059 0.063 0.000 1.216 388 L HN 0.855 nan 8.230 nan 0.000 0.481 389 N N 3.272 122.018 118.700 0.077 0.000 2.740 389 N HA -0.173 4.537 4.740 -0.049 0.000 0.248 389 N C 0.029 175.554 175.510 0.026 0.000 1.062 389 N CA 1.032 54.120 53.050 0.064 0.000 0.704 389 N CB -1.332 37.191 38.487 0.059 0.000 0.968 389 N HN 0.960 nan 8.380 nan 0.000 0.547 390 G N -1.070 107.735 108.800 0.009 0.000 2.356 390 G HA2 0.469 4.400 3.960 -0.049 0.000 0.294 390 G HA3 0.469 4.400 3.960 -0.049 0.000 0.294 390 G C -0.964 173.895 174.900 -0.068 0.000 1.423 390 G CA -0.952 44.129 45.100 -0.033 0.000 0.806 390 G HN 0.111 nan 8.290 nan 0.000 0.527 391 I N 1.792 122.296 120.570 -0.109 0.000 2.396 391 I HA 0.401 4.541 4.170 -0.049 0.000 0.289 391 I C 1.399 177.531 176.117 0.025 0.000 1.056 391 I CA -0.072 61.166 61.300 -0.104 0.000 1.365 391 I CB 0.928 38.841 38.000 -0.145 0.000 1.407 391 I HN 0.583 nan 8.210 nan 0.000 0.509 392 G N 5.152 114.003 108.800 0.086 0.000 2.588 392 G HA2 0.307 4.237 3.960 -0.049 0.000 0.281 392 G HA3 0.307 4.237 3.960 -0.049 0.000 0.281 392 G C -0.349 174.592 174.900 0.069 0.000 1.236 392 G CA -0.568 44.575 45.100 0.073 0.000 0.969 392 G HN 0.758 nan 8.290 nan 0.000 0.504 393 E N -1.256 118.963 120.200 0.032 0.000 2.343 393 E HA 0.416 4.737 4.350 -0.049 0.000 0.269 393 E C -0.966 175.602 176.600 -0.053 0.000 1.047 393 E CA -0.536 55.868 56.400 0.006 0.000 0.874 393 E CB 1.320 31.018 29.700 -0.002 0.000 1.033 393 E HN 0.188 nan 8.360 nan 0.000 0.409 394 I N 2.132 122.627 120.570 -0.125 0.000 2.404 394 I HA 0.198 4.339 4.170 -0.049 0.000 0.293 394 I C -0.682 175.146 176.117 -0.481 0.000 0.992 394 I CA -0.602 60.478 61.300 -0.365 0.000 1.149 394 I CB 1.535 39.179 38.000 -0.594 0.000 1.315 394 I HN 0.627 nan 8.210 nan 0.000 0.446 395 C N 4.732 123.760 119.300 -0.453 0.000 2.330 395 C HA 0.488 4.919 4.460 -0.049 0.000 0.344 395 C C -0.607 174.111 174.990 -0.452 0.000 1.273 395 C CA -0.701 58.108 59.018 -0.347 0.000 1.879 395 C CB -0.314 27.307 27.740 -0.199 0.000 2.376 395 C HN 0.710 nan 8.230 nan 0.000 0.534 396 W N 3.554 124.856 121.300 0.005 0.000 2.573 396 W HA 0.440 5.070 4.660 -0.050 0.000 0.326 396 W C -2.118 174.354 176.519 -0.078 0.000 1.049 396 W CA -2.495 54.836 57.345 -0.023 0.000 1.220 396 W CB 0.589 30.049 29.460 -0.001 0.000 1.373 396 W HN 0.431 nan 8.180 nan 0.000 0.507 397 P HA 0.080 nan 4.420 nan 0.000 0.271 397 P C -0.539 176.956 177.300 0.325 0.000 1.226 397 P CA 0.248 63.317 63.100 -0.051 0.000 0.765 397 P CB 0.913 32.134 31.700 -0.797 0.000 0.835 398 V N 0.359 120.513 119.914 0.400 0.000 3.113 398 V HA 0.866 4.956 4.120 -0.049 0.000 0.316 398 V C 0.075 176.290 176.094 0.201 0.000 1.125 398 V CA -1.710 60.797 62.300 0.344 0.000 1.026 398 V CB 1.239 33.164 31.823 0.171 0.000 1.080 398 V HN 0.600 nan 8.190 nan 0.000 0.444 399 A N 1.914 124.667 122.820 -0.111 0.000 2.498 399 A HA 0.611 4.902 4.320 -0.049 0.000 0.239 399 A C 0.757 178.223 177.584 -0.197 0.000 1.068 399 A CA 0.502 52.302 52.037 -0.395 0.000 0.766 399 A CB -0.473 18.323 19.000 -0.340 0.000 1.003 399 A HN 1.167 nan 8.150 nan 0.000 0.497 400 R N 0.000 120.359 120.500 -0.236 0.000 2.786 400 R HA 0.000 4.310 4.340 -0.049 0.000 0.208 400 R CA 0.000 56.039 56.100 -0.101 0.000 0.921 400 R CB 0.000 30.252 30.300 -0.080 0.000 0.687 400 R HN 0.000 nan 8.270 nan 0.000 0.535