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 1k1d_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTKIIKNGTI VTATDTYEAH LLIKDGKIAM IGQNLEEKGA EVIDAKGCYV DATA SEQUENCE FPGGIDPHTH LDMPLGGTVT KDDFESGTIA AAFGGTTTII DFCLTNKGEP DATA SEQUENCE LKKAIETWHN KANGKAVIDY GFHLMISEIT DDVLEELPKV LEEEGITSLX DATA SEQUENCE VFMAYKNVFQ ADDGTLYCTL LAAKELGALV MVHAENGDVI DYLTKKALAD DATA SEQUENCE GNTDPIYHAL TRPPELEGEA TGRACQLTEL AGSQLYVVHV TCAQAVEKIA DATA SEQUENCE EARNKGLDVW GETCPQYLVL DQSYLEKPNF EGAKYVWSPP LREKWHQEVL DATA SEQUENCE WNALKNGQLQ TLGSDQCSFD FKGQKELGRG DFTKIPNGGP IIEDRVSILF DATA SEQUENCE SEGVKKGRIT LNQFVDIVST RIAKLFGLFP KKGTIVVGSD ADLVIFDPNI DATA SEQUENCE ERVISAETHH MAVDYNAFEG MKVTGEPVSV LCRGEFVVRD KQFVGKPGYG DATA SEQUENCE QYLKRAKYGT 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 0.000 176.312 176.300 0.019 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 T N 3.308 117.871 114.554 0.015 0.000 2.939 2 T HA 0.112 4.462 4.350 -0.000 0.000 0.312 2 T C 0.002 174.714 174.700 0.021 0.000 1.064 2 T CA 0.507 62.615 62.100 0.014 0.000 1.136 2 T CB 0.328 69.203 68.868 0.011 0.000 1.035 2 T HN 0.471 nan 8.240 nan 0.000 0.538 3 K N 1.780 122.191 120.400 0.019 0.000 2.480 3 K HA 0.692 5.012 4.320 -0.000 0.000 0.258 3 K C -0.985 175.624 176.600 0.016 0.000 0.990 3 K CA -0.871 55.433 56.287 0.028 0.000 0.857 3 K CB 2.340 34.864 32.500 0.041 0.000 1.384 3 K HN 0.410 nan 8.250 nan 0.000 0.446 4 I N 2.687 123.266 120.570 0.015 0.000 2.529 4 I HA 0.310 4.480 4.170 -0.000 0.000 0.284 4 I C -0.862 175.247 176.117 -0.014 0.000 1.088 4 I CA -0.569 60.732 61.300 0.001 0.000 1.062 4 I CB 1.592 39.584 38.000 -0.013 0.000 1.218 4 I HN 0.406 nan 8.210 nan 0.000 0.442 5 I N 7.238 127.803 120.570 -0.008 0.000 2.291 5 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 5 I C 0.141 176.242 176.117 -0.026 0.000 1.050 5 I CA -0.446 60.844 61.300 -0.016 0.000 1.245 5 I CB 0.646 38.636 38.000 -0.017 0.000 1.405 5 I HN 0.563 nan 8.210 nan 0.000 0.478 6 K N 5.161 125.482 120.400 -0.132 0.000 2.185 6 K HA 0.523 4.843 4.320 -0.000 0.000 0.240 6 K C 0.218 176.768 176.600 -0.083 0.000 0.983 6 K CA -0.782 55.310 56.287 -0.325 0.000 0.873 6 K CB 1.051 33.028 32.500 -0.871 0.000 1.118 6 K HN 0.428 nan 8.250 nan 0.000 0.441 7 N N -1.140 117.637 118.700 0.128 0.000 2.741 7 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 7 N C -0.243 175.297 175.510 0.051 0.000 1.112 7 N CA 1.346 54.475 53.050 0.132 0.000 0.750 7 N CB -1.435 37.069 38.487 0.028 0.000 1.119 7 N HN 0.904 nan 8.380 nan 0.000 0.561 8 G N -0.767 108.063 108.800 0.049 0.000 2.462 8 G HA2 0.568 4.528 3.960 -0.000 0.000 0.319 8 G HA3 0.568 4.528 3.960 -0.000 0.000 0.319 8 G C -0.343 174.528 174.900 -0.047 0.000 1.171 8 G CA -0.128 44.958 45.100 -0.024 0.000 0.920 8 G HN 0.032 nan 8.290 nan 0.000 0.499 9 T N 1.577 116.098 114.554 -0.056 0.000 2.753 9 T HA 0.349 4.699 4.350 -0.000 0.000 0.297 9 T C 0.505 175.182 174.700 -0.038 0.000 0.981 9 T CA -0.022 62.066 62.100 -0.019 0.000 0.956 9 T CB 0.490 69.412 68.868 0.090 0.000 0.936 9 T HN 0.277 nan 8.240 nan 0.000 0.463 10 I N 3.359 123.771 120.570 -0.263 0.000 2.496 10 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 10 I C -0.198 175.833 176.117 -0.143 0.000 1.080 10 I CA -0.385 60.714 61.300 -0.335 0.000 1.404 10 I CB 0.877 38.381 38.000 -0.826 0.000 1.403 10 I HN 0.258 nan 8.210 nan 0.000 0.539 11 V N 5.285 125.221 119.914 0.038 0.000 2.445 11 V HA 0.223 4.343 4.120 -0.000 0.000 0.283 11 V C 0.311 176.547 176.094 0.236 0.000 1.014 11 V CA -0.638 61.765 62.300 0.171 0.000 0.852 11 V CB 1.300 33.255 31.823 0.218 0.000 1.021 11 V HN 0.920 nan 8.190 nan 0.000 0.435 12 T N 1.594 116.271 114.554 0.205 0.000 2.867 12 T HA 0.633 4.983 4.350 -0.000 0.000 0.286 12 T C 1.464 176.240 174.700 0.126 0.000 1.022 12 T CA 0.141 62.345 62.100 0.172 0.000 0.933 12 T CB 1.618 70.598 68.868 0.187 0.000 1.280 12 T HN 0.630 nan 8.240 nan 0.000 0.566 13 A N -0.389 122.484 122.820 0.089 0.000 2.172 13 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 13 A C 2.031 179.650 177.584 0.058 0.000 1.154 13 A CA 1.477 53.543 52.037 0.047 0.000 0.701 13 A CB -1.154 17.857 19.000 0.017 0.000 0.789 13 A HN 0.861 nan 8.150 nan 0.000 0.465 14 T N -1.177 113.427 114.554 0.083 0.000 3.125 14 T HA 0.120 4.470 4.350 -0.000 0.000 0.252 14 T C 0.101 174.862 174.700 0.101 0.000 0.981 14 T CA -0.069 62.076 62.100 0.075 0.000 1.069 14 T CB 0.117 69.019 68.868 0.057 0.000 1.091 14 T HN 0.359 nan 8.240 nan 0.000 0.460 15 D N 2.104 122.592 120.400 0.147 0.000 2.277 15 D HA 0.526 5.166 4.640 -0.000 0.000 0.250 15 D C -0.691 175.780 176.300 0.285 0.000 1.032 15 D CA 0.133 54.260 54.000 0.211 0.000 0.947 15 D CB 1.646 42.580 40.800 0.223 0.000 1.159 15 D HN 0.071 nan 8.370 nan 0.000 0.460 16 T N 1.190 115.945 114.554 0.334 0.000 3.348 16 T HA 0.375 4.725 4.350 -0.000 0.000 0.328 16 T C -1.024 173.881 174.700 0.342 0.000 0.913 16 T CA -0.772 61.488 62.100 0.268 0.000 1.043 16 T CB 0.078 69.057 68.868 0.185 0.000 1.021 16 T HN 0.368 nan 8.240 nan 0.000 0.461 17 Y N -0.483 119.868 120.300 0.085 0.000 2.689 17 Y HA 0.800 5.350 4.550 -0.000 0.000 0.333 17 Y C -0.999 174.936 175.900 0.058 0.000 1.190 17 Y CA -1.730 56.407 58.100 0.061 0.000 1.063 17 Y CB 1.065 39.547 38.460 0.038 0.000 1.294 17 Y HN 0.287 nan 8.280 nan 0.000 0.466 18 E N 1.094 121.338 120.200 0.074 0.000 2.151 18 E HA 0.773 5.123 4.350 -0.000 0.000 0.275 18 E C -0.965 175.626 176.600 -0.014 0.000 0.936 18 E CA -0.882 55.501 56.400 -0.030 0.000 0.777 18 E CB 1.851 31.559 29.700 0.013 0.000 1.108 18 E HN 0.928 nan 8.360 nan 0.000 0.401 19 A N 2.817 125.576 122.820 -0.102 0.000 2.483 19 A HA 0.486 4.806 4.320 -0.000 0.000 0.294 19 A C -1.717 175.822 177.584 -0.074 0.000 1.077 19 A CA -0.905 51.046 52.037 -0.143 0.000 0.633 19 A CB 1.060 20.114 19.000 0.091 0.000 1.318 19 A HN 0.588 nan 8.150 nan 0.000 0.455 20 H N -0.379 118.707 119.070 0.027 0.000 2.573 20 H HA 0.705 5.261 4.556 -0.000 0.000 0.351 20 H C -0.955 174.383 175.328 0.018 0.000 1.163 20 H CA -0.862 55.191 56.048 0.008 0.000 1.205 20 H CB 1.198 30.967 29.762 0.012 0.000 1.605 20 H HN 0.523 nan 8.280 nan 0.000 0.525 21 L N 2.744 124.049 121.223 0.136 0.000 2.313 21 L HA 0.261 4.601 4.340 -0.000 0.000 0.283 21 L C -0.408 176.496 176.870 0.056 0.000 1.013 21 L CA -1.037 53.848 54.840 0.074 0.000 0.816 21 L CB 1.664 43.742 42.059 0.032 0.000 1.236 21 L HN 0.181 nan 8.230 nan 0.000 0.419 22 L N 5.469 126.721 121.223 0.049 0.000 2.264 22 L HA 0.497 4.837 4.340 -0.000 0.000 0.287 22 L C -0.350 176.529 176.870 0.014 0.000 1.039 22 L CA 0.130 54.989 54.840 0.032 0.000 0.829 22 L CB 0.582 42.662 42.059 0.036 0.000 1.211 22 L HN 0.370 nan 8.230 nan 0.000 0.427 23 I N 5.220 125.791 120.570 0.002 0.000 2.428 23 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 23 I C 0.359 176.474 176.117 -0.004 0.000 1.019 23 I CA -0.325 60.968 61.300 -0.010 0.000 1.351 23 I CB 1.328 39.310 38.000 -0.030 0.000 1.412 23 I HN 0.662 nan 8.210 nan 0.000 0.513 24 K N 3.015 123.411 120.400 -0.005 0.000 4.450 24 K HA 0.202 4.522 4.320 -0.000 0.000 0.247 24 K C 0.102 176.701 176.600 -0.001 0.000 1.242 24 K CA 0.056 56.342 56.287 -0.002 0.000 1.820 24 K CB -0.051 32.448 32.500 -0.002 0.000 2.701 24 K HN 0.413 nan 8.250 nan 0.000 0.569 25 D N 0.325 120.722 120.400 -0.005 0.000 2.841 25 D HA 0.211 4.851 4.640 -0.000 0.000 0.244 25 D C 0.014 176.311 176.300 -0.005 0.000 1.228 25 D CA 1.170 55.167 54.000 -0.004 0.000 0.872 25 D CB -0.332 40.462 40.800 -0.010 0.000 1.082 25 D HN 0.663 nan 8.370 nan 0.000 0.457 26 G N 0.462 109.261 108.800 -0.001 0.000 2.184 26 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 26 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 26 G C 0.391 175.279 174.900 -0.020 0.000 0.975 26 G CA 0.186 45.287 45.100 0.002 0.000 0.642 26 G HN 0.423 nan 8.290 nan 0.000 0.536 27 K N -0.692 119.693 120.400 -0.025 0.000 2.352 27 K HA 0.708 5.028 4.320 -0.000 0.000 0.240 27 K C 0.024 176.606 176.600 -0.029 0.000 1.017 27 K CA -1.221 55.044 56.287 -0.036 0.000 0.851 27 K CB 1.826 34.302 32.500 -0.041 0.000 1.261 27 K HN 0.078 nan 8.250 nan 0.000 0.451 28 I N 2.349 122.900 120.570 -0.032 0.000 2.363 28 I HA -0.014 4.156 4.170 -0.000 0.000 0.292 28 I C 1.018 177.128 176.117 -0.011 0.000 1.075 28 I CA 0.102 61.392 61.300 -0.018 0.000 1.333 28 I CB 1.153 39.145 38.000 -0.013 0.000 1.415 28 I HN 0.836 nan 8.210 nan 0.000 0.502 29 A N 7.993 130.811 122.820 -0.003 0.000 1.874 29 A HA 0.156 4.476 4.320 -0.000 0.000 0.214 29 A C 0.775 178.364 177.584 0.008 0.000 1.189 29 A CA 0.944 52.981 52.037 0.000 0.000 0.615 29 A CB 0.147 19.149 19.000 0.003 0.000 0.830 29 A HN 0.787 nan 8.150 nan 0.000 0.443 30 M N -2.478 117.133 119.600 0.019 0.000 2.643 30 M HA 0.676 5.156 4.480 -0.000 0.000 0.276 30 M C -2.025 174.303 176.300 0.048 0.000 1.200 30 M CA -0.526 54.790 55.300 0.028 0.000 0.863 30 M CB 1.475 34.090 32.600 0.024 0.000 1.711 30 M HN -0.046 nan 8.290 nan 0.000 0.492 31 I N 0.866 121.470 120.570 0.058 0.000 2.569 31 I HA 0.994 5.164 4.170 -0.000 0.000 0.296 31 I C 0.177 176.336 176.117 0.071 0.000 1.028 31 I CA -0.603 60.751 61.300 0.090 0.000 1.082 31 I CB 2.183 40.270 38.000 0.145 0.000 1.264 31 I HN 1.048 nan 8.210 nan 0.000 0.429 32 G N 4.173 113.009 108.800 0.060 0.000 2.320 32 G HA2 0.320 4.280 3.960 -0.000 0.000 0.296 32 G HA3 0.320 4.280 3.960 -0.000 0.000 0.296 32 G C -2.181 172.659 174.900 -0.102 0.000 1.306 32 G CA -0.795 44.310 45.100 0.009 0.000 0.836 32 G HN 0.579 nan 8.290 nan 0.000 0.517 33 Q N -0.297 119.415 119.800 -0.146 0.000 2.257 33 Q HA 0.591 4.931 4.340 -0.000 0.000 0.262 33 Q C -0.336 175.599 176.000 -0.109 0.000 0.997 33 Q CA -0.954 54.637 55.803 -0.352 0.000 0.873 33 Q CB 1.528 30.129 28.738 -0.228 0.000 1.312 33 Q HN 0.514 nan 8.270 nan 0.000 0.450 34 N N 0.739 119.460 118.700 0.035 0.000 2.714 34 N HA -0.165 4.575 4.740 -0.000 0.000 0.253 34 N C -0.918 174.725 175.510 0.221 0.000 1.024 34 N CA 0.665 53.870 53.050 0.258 0.000 0.726 34 N CB -1.389 37.165 38.487 0.111 0.000 0.908 34 N HN 0.611 nan 8.380 nan 0.000 0.542 35 L N 0.241 121.677 121.223 0.355 0.000 2.436 35 L HA 0.317 4.657 4.340 -0.000 0.000 0.265 35 L C 0.841 177.767 176.870 0.093 0.000 1.168 35 L CA 0.300 55.243 54.840 0.171 0.000 0.815 35 L CB 0.624 42.788 42.059 0.175 0.000 1.109 35 L HN 0.146 nan 8.230 nan 0.000 0.462 36 E N 1.595 121.828 120.200 0.056 0.000 2.372 36 E HA 0.454 4.804 4.350 -0.000 0.000 0.279 36 E C -1.420 175.193 176.600 0.022 0.000 0.946 36 E CA -0.724 55.694 56.400 0.029 0.000 0.769 36 E CB 2.988 32.704 29.700 0.026 0.000 1.230 36 E HN 0.494 nan 8.360 nan 0.000 0.442 37 E N 2.401 122.609 120.200 0.013 0.000 2.683 37 E HA 0.045 4.395 4.350 -0.000 0.000 0.339 37 E C -1.491 175.113 176.600 0.006 0.000 0.921 37 E CA -0.387 56.020 56.400 0.011 0.000 0.786 37 E CB 1.227 30.935 29.700 0.013 0.000 1.363 37 E HN 0.355 nan 8.360 nan 0.000 0.401 38 K N 2.314 122.716 120.400 0.004 0.000 2.511 38 K HA 0.095 4.415 4.320 -0.000 0.000 0.277 38 K C 0.216 176.817 176.600 0.001 0.000 1.025 38 K CA 1.736 58.024 56.287 0.002 0.000 1.112 38 K CB 0.005 32.505 32.500 0.001 0.000 0.859 38 K HN 0.751 nan 8.250 nan 0.000 0.485 39 G N 2.679 111.479 108.800 -0.001 0.000 2.815 39 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.234 39 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.234 39 G C 0.131 175.033 174.900 0.003 0.000 0.971 39 G CA -0.106 44.994 45.100 -0.000 0.000 1.124 39 G HN 0.923 nan 8.290 nan 0.000 0.435 40 A N 1.824 124.645 122.820 0.003 0.000 2.709 40 A HA 0.672 4.992 4.320 -0.000 0.000 0.212 40 A C 1.151 178.743 177.584 0.014 0.000 1.280 40 A CA 1.413 53.456 52.037 0.008 0.000 1.034 40 A CB -0.100 18.903 19.000 0.005 0.000 1.255 40 A HN 2.042 nan 8.150 nan 0.000 0.547 41 E N -1.087 119.117 120.200 0.007 0.000 3.904 41 E HA -0.243 4.107 4.350 -0.000 0.000 0.316 41 E C -0.143 176.461 176.600 0.007 0.000 0.643 41 E CA 0.799 57.203 56.400 0.008 0.000 1.129 41 E CB -1.742 27.979 29.700 0.034 0.000 1.635 41 E HN 1.119 nan 8.360 nan 0.000 0.424 42 V N 1.355 121.271 119.914 0.003 0.000 5.604 42 V HA -0.268 3.852 4.120 -0.000 0.000 0.305 42 V C 0.482 176.571 176.094 -0.009 0.000 0.712 42 V CA 1.756 64.047 62.300 -0.016 0.000 1.117 42 V CB -0.971 30.828 31.823 -0.039 0.000 1.297 42 V HN 0.237 nan 8.190 nan 0.000 0.443 43 I N 3.361 123.943 120.570 0.020 0.000 2.396 43 I HA 0.408 4.578 4.170 -0.000 0.000 0.292 43 I C 0.320 176.432 176.117 -0.009 0.000 0.999 43 I CA -0.275 61.053 61.300 0.047 0.000 1.310 43 I CB 1.365 39.464 38.000 0.165 0.000 1.404 43 I HN 0.622 nan 8.210 nan 0.000 0.496 44 D N 4.332 124.723 120.400 -0.016 0.000 2.280 44 D HA 0.561 5.201 4.640 -0.000 0.000 0.236 44 D C 0.205 176.489 176.300 -0.026 0.000 1.082 44 D CA -0.297 53.679 54.000 -0.040 0.000 0.834 44 D CB 1.505 42.279 40.800 -0.043 0.000 1.100 44 D HN 0.640 nan 8.370 nan 0.000 0.486 45 A N 4.010 126.810 122.820 -0.034 0.000 2.564 45 A HA 0.165 4.485 4.320 -0.000 0.000 0.279 45 A C 0.518 178.072 177.584 -0.051 0.000 1.232 45 A CA -0.417 51.599 52.037 -0.035 0.000 0.950 45 A CB -0.174 18.807 19.000 -0.032 0.000 1.138 45 A HN 0.500 nan 8.150 nan 0.000 0.526 46 K N -0.065 120.308 120.400 -0.045 0.000 2.586 46 K HA 0.190 4.510 4.320 -0.000 0.000 0.280 46 K C 1.152 177.706 176.600 -0.077 0.000 0.972 46 K CA 0.959 57.217 56.287 -0.049 0.000 1.040 46 K CB 0.065 32.542 32.500 -0.038 0.000 0.870 46 K HN 0.828 nan 8.250 nan 0.000 0.497 47 G N 1.231 109.974 108.800 -0.095 0.000 2.341 47 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.292 47 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.292 47 G C -0.228 174.555 174.900 -0.195 0.000 1.021 47 G CA 0.173 45.191 45.100 -0.136 0.000 0.905 47 G HN 0.563 nan 8.290 nan 0.000 0.508 48 C N -1.657 117.514 119.300 -0.216 0.000 3.090 48 C HA 0.715 5.175 4.460 -0.000 0.000 0.305 48 C C -0.303 174.526 174.990 -0.268 0.000 1.292 48 C CA -1.462 57.411 59.018 -0.242 0.000 1.482 48 C CB 1.457 29.114 27.740 -0.137 0.000 1.897 48 C HN 0.351 nan 8.230 nan 0.000 0.469 49 Y N 0.549 120.717 120.300 -0.220 0.000 2.403 49 Y HA 0.608 5.158 4.550 -0.000 0.000 0.323 49 Y C 0.245 175.853 175.900 -0.486 0.000 1.226 49 Y CA -0.698 57.160 58.100 -0.402 0.000 1.235 49 Y CB 0.988 39.018 38.460 -0.715 0.000 1.248 49 Y HN 0.311 nan 8.280 nan 0.000 0.489 50 V N 4.313 124.070 119.914 -0.261 0.000 2.357 50 V HA 0.314 4.434 4.120 -0.000 0.000 0.281 50 V C -0.929 175.086 176.094 -0.133 0.000 1.015 50 V CA -0.889 61.294 62.300 -0.195 0.000 0.827 50 V CB -0.151 31.613 31.823 -0.098 0.000 1.018 50 V HN 0.416 nan 8.190 nan 0.000 0.432 51 F N 4.761 124.741 119.950 0.050 0.000 2.403 51 F HA 0.661 5.188 4.527 -0.000 0.000 0.326 51 F C -2.198 173.594 175.800 -0.014 0.000 1.081 51 F CA -3.181 54.826 58.000 0.011 0.000 1.041 51 F CB 0.817 39.812 39.000 -0.007 0.000 1.234 51 F HN 0.231 nan 8.300 nan 0.000 0.503 52 P HA 0.186 nan 4.420 nan 0.000 0.276 52 P C -0.085 177.246 177.300 0.051 0.000 1.230 52 P CA -0.269 62.878 63.100 0.078 0.000 0.776 52 P CB 0.567 32.297 31.700 0.050 0.000 0.888 53 G N 3.114 111.930 108.800 0.027 0.000 2.349 53 G HA2 0.254 4.214 3.960 -0.000 0.000 0.232 53 G HA3 0.254 4.214 3.960 -0.000 0.000 0.232 53 G C 0.631 175.515 174.900 -0.026 0.000 1.240 53 G CA -0.037 45.071 45.100 0.013 0.000 0.870 53 G HN 0.595 nan 8.290 nan 0.000 0.528 54 G N -0.283 108.493 108.800 -0.040 0.000 2.569 54 G HA2 0.471 4.431 3.960 -0.000 0.000 0.249 54 G HA3 0.471 4.431 3.960 -0.000 0.000 0.249 54 G C -0.210 174.654 174.900 -0.059 0.000 1.216 54 G CA -0.649 44.399 45.100 -0.086 0.000 0.845 54 G HN 0.689 nan 8.290 nan 0.000 0.568 55 I N 0.918 121.447 120.570 -0.068 0.000 2.439 55 I HA 0.188 4.358 4.170 -0.000 0.000 0.285 55 I C -1.088 174.998 176.117 -0.050 0.000 1.021 55 I CA -0.704 60.563 61.300 -0.056 0.000 1.091 55 I CB 2.221 40.193 38.000 -0.048 0.000 1.242 55 I HN 0.299 nan 8.210 nan 0.000 0.439 56 D N 9.138 129.509 120.400 -0.049 0.000 2.443 56 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 56 D C -1.750 174.514 176.300 -0.060 0.000 1.097 56 D CA -1.917 52.067 54.000 -0.027 0.000 0.865 56 D CB 1.882 42.675 40.800 -0.012 0.000 1.034 56 D HN 0.265 nan 8.370 nan 0.000 0.511 57 P HA -0.025 nan 4.420 nan 0.000 0.249 57 P C -0.143 177.147 177.300 -0.017 0.000 1.229 57 P CA 0.252 63.215 63.100 -0.227 0.000 0.788 57 P CB 0.107 31.553 31.700 -0.423 0.000 1.072 58 H N -0.324 118.769 119.070 0.039 0.000 2.645 58 H HA 0.398 4.954 4.556 -0.000 0.000 0.257 58 H C -0.850 174.514 175.328 0.060 0.000 1.269 58 H CA -0.196 55.967 56.048 0.191 0.000 1.409 58 H CB 0.410 30.289 29.762 0.194 0.000 1.434 58 H HN -0.210 nan 8.280 nan 0.000 0.505 59 T N 3.373 118.064 114.554 0.228 0.000 2.876 59 T HA 0.249 4.599 4.350 -0.000 0.000 0.289 59 T C -0.923 173.758 174.700 -0.031 0.000 1.014 59 T CA -0.734 61.398 62.100 0.053 0.000 0.986 59 T CB 1.123 69.991 68.868 0.000 0.000 1.021 59 T HN 0.551 nan 8.240 nan 0.000 0.458 60 H N 4.016 123.220 119.070 0.222 0.000 2.761 60 H HA 0.354 4.910 4.556 -0.000 0.000 0.263 60 H C 0.374 175.726 175.328 0.040 0.000 1.292 60 H CA -0.316 55.869 56.048 0.228 0.000 1.540 60 H CB 0.675 30.558 29.762 0.203 0.000 1.569 60 H HN 0.409 nan 8.280 nan 0.000 0.510 61 L N 0.289 121.527 121.223 0.025 0.000 2.121 61 L HA 0.043 4.383 4.340 -0.000 0.000 0.200 61 L C 1.585 178.430 176.870 -0.041 0.000 1.132 61 L CA 0.568 55.292 54.840 -0.194 0.000 0.782 61 L CB 0.051 41.638 42.059 -0.787 0.000 0.940 61 L HN 0.333 nan 8.230 nan 0.000 0.458 62 D N 1.035 121.478 120.400 0.072 0.000 2.323 62 D HA 0.062 4.702 4.640 -0.000 0.000 0.239 62 D C 0.512 176.808 176.300 -0.006 0.000 1.129 62 D CA -0.058 53.959 54.000 0.029 0.000 0.865 62 D CB 0.082 40.882 40.800 0.001 0.000 0.913 62 D HN 0.142 nan 8.370 nan 0.000 0.517 63 M N 0.141 119.817 119.600 0.127 0.000 2.245 63 M HA 0.330 4.810 4.480 -0.000 0.000 0.344 63 M C -2.697 173.705 176.300 0.170 0.000 1.170 63 M CA -0.870 54.568 55.300 0.229 0.000 1.135 63 M CB 1.037 33.869 32.600 0.387 0.000 1.574 63 M HN -0.341 nan 8.290 nan 0.000 0.452 64 P HA 0.346 nan 4.420 nan 0.000 0.300 64 P C -1.433 175.976 177.300 0.182 0.000 1.375 64 P CA -0.285 62.915 63.100 0.167 0.000 0.864 64 P CB 1.144 32.909 31.700 0.108 0.000 0.958 65 L N 3.908 125.266 121.223 0.225 0.000 2.599 65 L HA 0.712 5.052 4.340 -0.000 0.000 0.241 65 L C 0.549 177.415 176.870 -0.007 0.000 1.207 65 L CA 0.512 55.430 54.840 0.129 0.000 0.987 65 L CB -0.341 41.841 42.059 0.205 0.000 1.318 65 L HN 0.712 nan 8.230 nan 0.000 0.458 66 G N 1.032 109.829 108.800 -0.006 0.000 2.265 66 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.246 66 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.246 66 G C 0.454 175.342 174.900 -0.020 0.000 1.299 66 G CA -0.308 44.765 45.100 -0.045 0.000 1.117 66 G HN 0.531 nan 8.290 nan 0.000 0.485 67 G N -0.470 108.312 108.800 -0.031 0.000 2.848 67 G HA2 0.426 4.386 3.960 -0.000 0.000 0.208 67 G HA3 0.426 4.386 3.960 -0.000 0.000 0.208 67 G C 0.757 175.660 174.900 0.004 0.000 1.152 67 G CA 2.221 47.311 45.100 -0.016 0.000 0.789 67 G HN 1.164 nan 8.290 nan 0.000 0.531 68 T N -0.976 113.588 114.554 0.017 0.000 2.927 68 T HA 0.622 4.971 4.350 -0.000 0.000 0.286 68 T C -0.904 173.880 174.700 0.139 0.000 1.040 68 T CA -0.486 61.654 62.100 0.066 0.000 1.010 68 T CB 1.943 70.848 68.868 0.062 0.000 1.177 68 T HN -0.111 nan 8.240 nan 0.000 0.546 69 V N 1.349 121.377 119.914 0.189 0.000 2.962 69 V HA 0.430 4.550 4.120 -0.000 0.000 0.313 69 V C 0.206 176.436 176.094 0.227 0.000 1.099 69 V CA -1.018 61.404 62.300 0.202 0.000 0.971 69 V CB 2.127 34.005 31.823 0.092 0.000 1.028 69 V HN 1.082 nan 8.190 nan 0.000 0.430 70 T N 2.489 117.089 114.554 0.078 0.000 2.923 70 T HA -0.047 4.303 4.350 -0.000 0.000 0.304 70 T C 1.133 175.769 174.700 -0.106 0.000 1.044 70 T CA 0.421 62.374 62.100 -0.245 0.000 1.141 70 T CB 0.288 68.996 68.868 -0.268 0.000 1.023 70 T HN 0.769 nan 8.240 nan 0.000 0.533 71 K N 2.223 122.549 120.400 -0.123 0.000 2.097 71 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 71 K C 0.433 176.994 176.600 -0.065 0.000 1.049 71 K CA 1.362 57.629 56.287 -0.033 0.000 0.933 71 K CB 0.090 32.590 32.500 0.001 0.000 0.717 71 K HN 0.578 nan 8.250 nan 0.000 0.442 72 D N 1.746 122.073 120.400 -0.122 0.000 2.249 72 D HA 0.022 4.662 4.640 -0.000 0.000 0.246 72 D C -0.382 175.856 176.300 -0.103 0.000 1.114 72 D CA -0.163 53.768 54.000 -0.115 0.000 0.854 72 D CB 1.067 41.775 40.800 -0.152 0.000 1.132 72 D HN 0.385 nan 8.370 nan 0.000 0.461 73 D N 0.876 121.238 120.400 -0.063 0.000 2.539 73 D HA 0.058 4.698 4.640 -0.000 0.000 0.276 73 D C 0.989 177.268 176.300 -0.035 0.000 1.206 73 D CA -0.602 53.386 54.000 -0.019 0.000 1.081 73 D CB 0.304 41.118 40.800 0.023 0.000 1.142 73 D HN 0.124 nan 8.370 nan 0.000 0.595 74 F N -0.176 119.725 119.950 -0.082 0.000 2.333 74 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 74 F C 2.472 178.223 175.800 -0.081 0.000 1.083 74 F CA 1.143 59.088 58.000 -0.092 0.000 1.395 74 F CB -0.015 38.900 39.000 -0.141 0.000 1.056 74 F HN 0.475 nan 8.300 nan 0.000 0.529 75 E N -0.212 120.037 120.200 0.082 0.000 2.030 75 E HA -0.149 4.201 4.350 -0.000 0.000 0.189 75 E C 2.425 179.013 176.600 -0.019 0.000 0.974 75 E CA 1.180 57.602 56.400 0.038 0.000 0.807 75 E CB -0.063 29.657 29.700 0.034 0.000 0.771 75 E HN 0.352 nan 8.360 nan 0.000 0.451 76 S N 0.066 115.743 115.700 -0.038 0.000 2.356 76 S HA -0.100 4.370 4.470 -0.000 0.000 0.223 76 S C 2.226 176.781 174.600 -0.076 0.000 1.032 76 S CA 1.201 59.362 58.200 -0.065 0.000 1.005 76 S CB -1.061 62.101 63.200 -0.064 0.000 0.867 76 S HN 0.368 nan 8.310 nan 0.000 0.449 77 G N 1.497 110.238 108.800 -0.099 0.000 2.469 77 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 77 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 77 G C 1.502 176.351 174.900 -0.086 0.000 1.150 77 G CA 1.584 46.610 45.100 -0.124 0.000 0.763 77 G HN 0.565 nan 8.290 nan 0.000 0.561 78 T N 1.341 115.856 114.554 -0.066 0.000 2.708 78 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 78 T C 2.393 177.101 174.700 0.013 0.000 1.037 78 T CA 1.147 63.241 62.100 -0.010 0.000 1.146 78 T CB -0.177 68.714 68.868 0.038 0.000 0.865 78 T HN 0.275 nan 8.240 nan 0.000 0.435 79 I N 1.359 121.916 120.570 -0.022 0.000 2.179 79 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 79 I C 2.966 179.147 176.117 0.108 0.000 1.088 79 I CA 1.093 62.370 61.300 -0.038 0.000 1.357 79 I CB -0.622 37.235 38.000 -0.237 0.000 1.051 79 I HN 0.198 nan 8.210 nan 0.000 0.409 80 A N 1.099 123.958 122.820 0.065 0.000 1.859 80 A HA -0.279 4.040 4.320 -0.000 0.000 0.217 80 A C 2.588 180.231 177.584 0.098 0.000 1.198 80 A CA 2.429 54.516 52.037 0.085 0.000 0.629 80 A CB -1.175 17.817 19.000 -0.015 0.000 0.830 80 A HN 0.444 nan 8.150 nan 0.000 0.446 81 A N -0.364 122.482 122.820 0.043 0.000 1.917 81 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 81 A C 2.535 180.154 177.584 0.059 0.000 1.182 81 A CA 2.656 54.718 52.037 0.041 0.000 0.633 81 A CB -1.173 17.834 19.000 0.011 0.000 0.819 81 A HN 1.276 nan 8.150 nan 0.000 0.448 82 A N -1.312 121.538 122.820 0.049 0.000 1.883 82 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 82 A C 2.002 179.557 177.584 -0.048 0.000 1.186 82 A CA 1.653 53.691 52.037 0.002 0.000 0.624 82 A CB -0.783 18.212 19.000 -0.009 0.000 0.822 82 A HN 0.505 nan 8.150 nan 0.000 0.444 83 F N 0.135 120.052 119.950 -0.054 0.000 2.234 83 F HA 0.005 4.531 4.527 -0.000 0.000 0.299 83 F C 2.524 178.321 175.800 -0.005 0.000 1.087 83 F CA 1.117 59.049 58.000 -0.114 0.000 1.340 83 F CB -0.391 38.329 39.000 -0.467 0.000 1.031 83 F HN 0.309 nan 8.300 nan 0.000 0.500 84 G N -1.142 107.776 108.800 0.195 0.000 2.776 84 G HA2 0.235 4.195 3.960 -0.000 0.000 0.209 84 G HA3 0.235 4.195 3.960 -0.000 0.000 0.209 84 G C 1.507 176.511 174.900 0.173 0.000 1.145 84 G CA 0.564 45.773 45.100 0.183 0.000 0.791 84 G HN 0.641 nan 8.290 nan 0.000 0.530 85 G N -1.416 107.470 108.800 0.143 0.000 2.157 85 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.239 85 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.239 85 G C 0.271 175.211 174.900 0.067 0.000 0.982 85 G CA 0.297 45.478 45.100 0.134 0.000 0.650 85 G HN 0.597 nan 8.290 nan 0.000 0.527 86 T N 1.129 115.712 114.554 0.048 0.000 2.767 86 T HA 0.541 4.891 4.350 -0.000 0.000 0.288 86 T C 1.261 175.973 174.700 0.020 0.000 0.963 86 T CA 0.527 62.638 62.100 0.018 0.000 1.019 86 T CB 1.463 70.338 68.868 0.011 0.000 0.923 86 T HN 0.679 nan 8.240 nan 0.000 0.468 87 T N -0.812 113.749 114.554 0.010 0.000 3.040 87 T HA 0.298 4.648 4.350 -0.000 0.000 0.266 87 T C 0.341 175.050 174.700 0.016 0.000 1.005 87 T CA -0.293 61.820 62.100 0.021 0.000 0.906 87 T CB 0.283 69.160 68.868 0.015 0.000 1.082 87 T HN 0.497 nan 8.240 nan 0.000 0.531 88 T N 2.567 117.118 114.554 -0.005 0.000 3.105 88 T HA 0.620 4.970 4.350 -0.000 0.000 0.321 88 T C -0.928 173.750 174.700 -0.037 0.000 1.135 88 T CA -0.833 61.252 62.100 -0.024 0.000 1.053 88 T CB 1.741 70.569 68.868 -0.067 0.000 1.133 88 T HN 0.534 nan 8.240 nan 0.000 0.463 89 I N -0.059 120.499 120.570 -0.020 0.000 2.892 89 I HA 0.800 4.970 4.170 -0.000 0.000 0.306 89 I C -1.356 174.700 176.117 -0.102 0.000 1.078 89 I CA -1.478 59.794 61.300 -0.047 0.000 1.032 89 I CB 2.075 40.066 38.000 -0.015 0.000 1.229 89 I HN 0.589 nan 8.210 nan 0.000 0.435 90 I N 3.626 124.081 120.570 -0.192 0.000 2.466 90 I HA 0.309 4.479 4.170 -0.000 0.000 0.279 90 I C -0.798 175.149 176.117 -0.283 0.000 1.033 90 I CA -0.340 60.724 61.300 -0.393 0.000 1.123 90 I CB 1.185 38.720 38.000 -0.776 0.000 1.237 90 I HN 0.644 nan 8.210 nan 0.000 0.460 91 D N 5.098 125.511 120.400 0.022 0.000 2.283 91 D HA 0.249 4.889 4.640 -0.000 0.000 0.248 91 D C -0.876 175.558 176.300 0.224 0.000 1.072 91 D CA -0.238 53.925 54.000 0.271 0.000 0.929 91 D CB 1.321 42.506 40.800 0.642 0.000 1.182 91 D HN 0.141 nan 8.370 nan 0.000 0.433 92 F N 2.293 122.397 119.950 0.257 0.000 2.405 92 F HA 0.130 4.657 4.527 -0.000 0.000 0.358 92 F C 0.843 176.535 175.800 -0.180 0.000 1.151 92 F CA -0.674 57.422 58.000 0.159 0.000 1.161 92 F CB 0.486 39.636 39.000 0.250 0.000 1.245 92 F HN 0.185 nan 8.300 nan 0.000 0.545 93 C N 7.592 126.552 119.300 -0.567 0.000 2.520 93 C HA 0.395 4.855 4.460 -0.000 0.000 0.369 93 C C 0.512 174.910 174.990 -0.987 0.000 1.244 93 C CA -0.961 57.010 59.018 -1.746 0.000 1.677 93 C CB -1.827 25.114 27.740 -1.332 0.000 2.324 93 C HN 0.665 nan 8.230 nan 0.000 0.557 94 L N 6.081 126.650 121.223 -1.091 0.000 2.452 94 L HA 0.365 4.705 4.340 -0.000 0.000 0.267 94 L C 0.886 177.689 176.870 -0.111 0.000 1.188 94 L CA 0.433 55.146 54.840 -0.211 0.000 0.821 94 L CB 0.663 42.830 42.059 0.181 0.000 1.102 94 L HN 0.606 nan 8.230 nan 0.000 0.470 95 T N 1.165 115.749 114.554 0.049 0.000 2.893 95 T HA 0.388 4.737 4.350 -0.000 0.000 0.291 95 T C -0.622 174.108 174.700 0.050 0.000 1.028 95 T CA -0.785 61.343 62.100 0.045 0.000 0.995 95 T CB 1.510 70.407 68.868 0.048 0.000 1.051 95 T HN 0.458 nan 8.240 nan 0.000 0.470 96 N N 1.844 120.564 118.700 0.033 0.000 2.361 96 N HA 0.332 5.072 4.740 -0.000 0.000 0.302 96 N C -0.509 175.008 175.510 0.012 0.000 1.074 96 N CA -0.716 52.338 53.050 0.007 0.000 0.850 96 N CB 1.941 40.432 38.487 0.007 0.000 1.228 96 N HN 0.445 nan 8.380 nan 0.000 0.491 97 K N 0.104 120.505 120.400 0.002 0.000 2.380 97 K HA 0.152 4.472 4.320 -0.000 0.000 0.267 97 K C 1.131 177.737 176.600 0.011 0.000 0.990 97 K CA 0.547 56.840 56.287 0.011 0.000 0.946 97 K CB 0.295 32.798 32.500 0.006 0.000 0.937 97 K HN 0.797 nan 8.250 nan 0.000 0.491 98 G N 1.168 109.978 108.800 0.016 0.000 2.412 98 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.252 98 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.252 98 G C 0.153 175.062 174.900 0.015 0.000 1.038 98 G CA 0.667 45.775 45.100 0.014 0.000 0.628 98 G HN 0.684 nan 8.290 nan 0.000 0.531 99 E N 2.571 122.781 120.200 0.017 0.000 2.259 99 E HA 0.431 4.781 4.350 -0.000 0.000 0.281 99 E C -1.851 174.763 176.600 0.023 0.000 1.027 99 E CA -1.956 54.456 56.400 0.020 0.000 0.838 99 E CB 0.960 30.673 29.700 0.022 0.000 1.066 99 E HN 0.256 nan 8.360 nan 0.000 0.401 100 P HA -0.074 nan 4.420 nan 0.000 0.264 100 P C 0.775 178.091 177.300 0.026 0.000 1.193 100 P CA 0.322 63.436 63.100 0.024 0.000 0.763 100 P CB 0.763 32.476 31.700 0.021 0.000 0.810 101 L N 2.690 123.928 121.223 0.025 0.000 2.081 101 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 101 L C 2.297 179.183 176.870 0.025 0.000 1.080 101 L CA 1.820 56.674 54.840 0.023 0.000 0.754 101 L CB -0.789 41.284 42.059 0.023 0.000 0.893 101 L HN 0.431 nan 8.230 nan 0.000 0.433 102 K N -0.206 120.213 120.400 0.031 0.000 2.442 102 K HA -0.170 4.150 4.320 -0.000 0.000 0.198 102 K C 1.945 178.571 176.600 0.043 0.000 1.042 102 K CA 0.569 56.879 56.287 0.038 0.000 0.958 102 K CB 0.005 32.524 32.500 0.033 0.000 0.766 102 K HN 0.067 nan 8.250 nan 0.000 0.474 103 K N 1.828 122.251 120.400 0.040 0.000 1.973 103 K HA -0.074 4.246 4.320 -0.000 0.000 0.210 103 K C 2.012 178.653 176.600 0.068 0.000 1.045 103 K CA 1.593 57.908 56.287 0.047 0.000 0.937 103 K CB -0.528 31.997 32.500 0.042 0.000 0.721 103 K HN 0.063 nan 8.250 nan 0.000 0.438 104 A N 0.930 123.791 122.820 0.069 0.000 1.883 104 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 104 A C 2.308 179.949 177.584 0.095 0.000 1.186 104 A CA 1.998 54.098 52.037 0.105 0.000 0.624 104 A CB -0.898 18.122 19.000 0.032 0.000 0.822 104 A HN 0.395 nan 8.150 nan 0.000 0.444 105 I N -0.731 119.851 120.570 0.021 0.000 2.264 105 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 105 I C 2.468 178.647 176.117 0.103 0.000 1.111 105 I CA 1.876 63.173 61.300 -0.006 0.000 1.382 105 I CB -0.431 37.602 38.000 0.054 0.000 1.060 105 I HN 0.449 nan 8.210 nan 0.000 0.418 106 E N 0.041 120.319 120.200 0.130 0.000 2.112 106 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 106 E C 2.099 178.763 176.600 0.106 0.000 0.979 106 E CA 1.342 57.828 56.400 0.144 0.000 0.814 106 E CB 0.032 29.776 29.700 0.073 0.000 0.762 106 E HN 0.378 nan 8.360 nan 0.000 0.460 107 T N 0.270 114.885 114.554 0.101 0.000 2.684 107 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 107 T C 1.266 175.949 174.700 -0.027 0.000 1.036 107 T CA 0.965 63.101 62.100 0.061 0.000 1.148 107 T CB -0.255 68.700 68.868 0.143 0.000 0.863 107 T HN 0.369 nan 8.240 nan 0.000 0.436 108 W N 1.115 122.262 121.300 -0.255 0.000 2.381 108 W HA -0.113 4.547 4.660 0.000 0.000 0.301 108 W C 2.527 178.802 176.519 -0.407 0.000 1.205 108 W CA 0.984 58.045 57.345 -0.473 0.000 1.285 108 W CB -0.494 28.390 29.460 -0.961 0.000 1.133 108 W HN 0.420 nan 8.180 nan 0.000 0.521 109 H N 0.159 119.212 119.070 -0.028 0.000 2.426 109 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 109 H C 1.802 177.102 175.328 -0.047 0.000 1.107 109 H CA 1.478 57.578 56.048 0.087 0.000 1.298 109 H CB -0.395 29.385 29.762 0.031 0.000 1.377 109 H HN 0.203 nan 8.280 nan 0.000 0.519 110 N N 0.968 119.673 118.700 0.007 0.000 2.106 110 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 110 N C 1.915 177.314 175.510 -0.185 0.000 1.029 110 N CA 0.660 53.670 53.050 -0.066 0.000 0.848 110 N CB -0.155 38.294 38.487 -0.063 0.000 1.007 110 N HN 0.375 nan 8.380 nan 0.000 0.423 111 K N 0.805 121.001 120.400 -0.340 0.000 2.074 111 K HA -0.076 4.244 4.320 -0.000 0.000 0.209 111 K C 1.962 178.187 176.600 -0.624 0.000 1.048 111 K CA 1.522 57.527 56.287 -0.470 0.000 0.926 111 K CB -0.068 32.009 32.500 -0.705 0.000 0.713 111 K HN 0.154 nan 8.250 nan 0.000 0.444 112 A N 1.226 123.530 122.820 -0.859 0.000 1.911 112 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 112 A C 0.689 178.083 177.584 -0.316 0.000 1.189 112 A CA 0.027 51.520 52.037 -0.905 0.000 0.639 112 A CB -0.258 18.097 19.000 -1.075 0.000 0.839 112 A HN 0.218 nan 8.150 nan 0.000 0.449 113 N N 0.774 119.409 118.700 -0.107 0.000 2.034 113 N HA -0.016 4.724 4.740 -0.000 0.000 0.293 113 N C 1.208 176.725 175.510 0.012 0.000 1.336 113 N CA 1.489 54.552 53.050 0.022 0.000 0.819 113 N CB -0.034 38.469 38.487 0.027 0.000 1.071 113 N HN 0.748 nan 8.380 nan 0.000 0.495 114 G N 2.618 111.453 108.800 0.059 0.000 2.186 114 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.266 114 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.266 114 G C 0.950 175.888 174.900 0.063 0.000 0.982 114 G CA 0.995 46.134 45.100 0.065 0.000 0.670 114 G HN 0.662 nan 8.290 nan 0.000 0.533 115 K N -0.303 120.121 120.400 0.039 0.000 2.391 115 K HA 0.530 4.850 4.320 -0.000 0.000 0.197 115 K C 1.333 177.981 176.600 0.080 0.000 1.087 115 K CA 0.427 56.748 56.287 0.057 0.000 1.012 115 K CB 0.827 33.353 32.500 0.042 0.000 0.925 115 K HN 0.502 nan 8.250 nan 0.000 0.547 116 A N 1.360 124.211 122.820 0.053 0.000 2.450 116 A HA 0.174 4.494 4.320 -0.000 0.000 0.255 116 A C 1.155 178.848 177.584 0.181 0.000 1.096 116 A CA -0.220 51.865 52.037 0.080 0.000 0.778 116 A CB 0.458 19.444 19.000 -0.024 0.000 1.031 116 A HN -0.009 nan 8.150 nan 0.000 0.494 117 V N 3.158 123.191 119.914 0.198 0.000 3.174 117 V HA 0.076 4.196 4.120 -0.000 0.000 0.254 117 V C 0.854 177.144 176.094 0.326 0.000 1.120 117 V CA 1.527 63.998 62.300 0.284 0.000 1.114 117 V CB -1.231 30.762 31.823 0.283 0.000 0.756 117 V HN 0.803 nan 8.190 nan 0.000 0.467 118 I N -3.826 116.890 120.570 0.244 0.000 3.206 118 I HA 0.647 4.817 4.170 -0.000 0.000 0.313 118 I C -1.061 175.187 176.117 0.219 0.000 1.103 118 I CA -1.099 60.329 61.300 0.212 0.000 0.985 118 I CB 1.584 39.670 38.000 0.143 0.000 1.240 118 I HN -0.179 nan 8.210 nan 0.000 0.464 119 D N 1.325 121.800 120.400 0.124 0.000 2.357 119 D HA 0.415 5.055 4.640 -0.000 0.000 0.242 119 D C -0.963 175.424 176.300 0.145 0.000 1.153 119 D CA 0.802 54.846 54.000 0.073 0.000 0.918 119 D CB 0.820 41.555 40.800 -0.108 0.000 1.181 119 D HN 0.598 nan 8.370 nan 0.000 0.435 120 Y N -2.481 117.737 120.300 -0.136 0.000 2.689 120 Y HA 0.696 5.246 4.550 -0.000 0.000 0.333 120 Y C -0.347 175.303 175.900 -0.416 0.000 1.208 120 Y CA -1.301 56.688 58.100 -0.185 0.000 1.055 120 Y CB 1.053 39.506 38.460 -0.012 0.000 1.304 120 Y HN 0.444 nan 8.280 nan 0.000 0.455 121 G N 0.139 108.653 108.800 -0.476 0.000 2.788 121 G HA2 0.715 4.675 3.960 -0.000 0.000 0.293 121 G HA3 0.715 4.675 3.960 -0.000 0.000 0.293 121 G C -2.383 172.137 174.900 -0.634 0.000 1.392 121 G CA -1.022 43.619 45.100 -0.764 0.000 0.810 121 G HN 0.444 nan 8.290 nan 0.000 0.508 122 F N -0.875 118.994 119.950 -0.135 0.000 2.620 122 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 122 F C -0.122 175.411 175.800 -0.446 0.000 1.069 122 F CA -1.026 56.839 58.000 -0.225 0.000 0.953 122 F CB 2.228 41.193 39.000 -0.059 0.000 1.322 122 F HN 0.241 nan 8.300 nan 0.000 0.479 123 H N 1.389 120.387 119.070 -0.120 0.000 2.524 123 H HA 0.511 5.067 4.556 -0.000 0.000 0.353 123 H C -1.276 173.964 175.328 -0.147 0.000 1.136 123 H CA -0.795 55.082 56.048 -0.284 0.000 1.193 123 H CB 2.574 31.867 29.762 -0.782 0.000 1.558 123 H HN 0.402 nan 8.280 nan 0.000 0.515 124 L N 3.380 124.633 121.223 0.051 0.000 2.282 124 L HA 0.306 4.646 4.340 -0.000 0.000 0.288 124 L C 0.077 176.990 176.870 0.072 0.000 1.033 124 L CA -0.322 54.525 54.840 0.011 0.000 0.807 124 L CB 0.920 42.988 42.059 0.016 0.000 1.209 124 L HN 0.607 nan 8.230 nan 0.000 0.423 125 M N 5.467 125.118 119.600 0.086 0.000 2.242 125 M HA 0.396 4.876 4.480 -0.000 0.000 0.344 125 M C -1.223 175.169 176.300 0.153 0.000 1.140 125 M CA 0.238 55.656 55.300 0.197 0.000 1.160 125 M CB 0.519 33.292 32.600 0.288 0.000 1.491 125 M HN 0.603 nan 8.290 nan 0.000 0.459 126 I N 3.505 124.186 120.570 0.184 0.000 2.478 126 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 126 I C 0.209 176.434 176.117 0.181 0.000 1.042 126 I CA -0.281 61.103 61.300 0.141 0.000 1.067 126 I CB 2.251 40.308 38.000 0.095 0.000 1.233 126 I HN 0.868 nan 8.210 nan 0.000 0.431 127 S N 3.207 118.998 115.700 0.152 0.000 2.540 127 S HA 0.298 4.768 4.470 -0.000 0.000 0.222 127 S C 0.049 174.712 174.600 0.105 0.000 1.008 127 S CA -0.313 57.977 58.200 0.150 0.000 0.939 127 S CB 0.105 63.379 63.200 0.123 0.000 0.865 127 S HN 0.765 nan 8.310 nan 0.000 0.499 128 E N 0.822 121.073 120.200 0.086 0.000 2.388 128 E HA 0.464 4.814 4.350 -0.000 0.000 0.282 128 E C -1.283 175.352 176.600 0.058 0.000 1.026 128 E CA -1.232 55.208 56.400 0.068 0.000 0.820 128 E CB 0.741 30.473 29.700 0.054 0.000 1.226 128 E HN 0.320 nan 8.360 nan 0.000 0.432 129 I N -0.214 120.388 120.570 0.053 0.000 2.371 129 I HA 0.486 4.656 4.170 -0.000 0.000 0.282 129 I C -0.718 175.422 176.117 0.039 0.000 1.031 129 I CA -0.349 60.978 61.300 0.045 0.000 1.180 129 I CB 1.317 39.345 38.000 0.046 0.000 1.336 129 I HN 0.362 nan 8.210 nan 0.000 0.467 130 T N 2.911 117.485 114.554 0.034 0.000 2.944 130 T HA 0.238 4.588 4.350 -0.000 0.000 0.284 130 T C 0.832 175.548 174.700 0.026 0.000 1.010 130 T CA -0.428 61.690 62.100 0.029 0.000 1.025 130 T CB 1.768 70.653 68.868 0.027 0.000 1.079 130 T HN 0.509 nan 8.240 nan 0.000 0.516 131 D N 0.998 121.412 120.400 0.023 0.000 2.178 131 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 131 D C 1.321 177.633 176.300 0.020 0.000 0.980 131 D CA 1.207 55.219 54.000 0.021 0.000 0.842 131 D CB 0.106 40.917 40.800 0.019 0.000 0.948 131 D HN 0.525 nan 8.370 nan 0.000 0.472 132 D N 0.610 121.022 120.400 0.020 0.000 2.144 132 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 132 D C 2.377 178.690 176.300 0.021 0.000 0.978 132 D CA 0.469 54.480 54.000 0.019 0.000 0.833 132 D CB -0.007 40.804 40.800 0.019 0.000 0.961 132 D HN 0.121 nan 8.370 nan 0.000 0.470 133 V N 1.667 121.595 119.914 0.023 0.000 2.307 133 V HA -0.207 3.912 4.120 -0.000 0.000 0.245 133 V C 2.740 178.847 176.094 0.022 0.000 1.045 133 V CA 1.073 63.388 62.300 0.025 0.000 1.024 133 V CB -0.581 31.259 31.823 0.029 0.000 0.651 133 V HN 0.165 nan 8.190 nan 0.000 0.449 134 L N -0.273 120.963 121.223 0.021 0.000 2.127 134 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 134 L C 2.565 179.445 176.870 0.016 0.000 1.089 134 L CA 1.630 56.481 54.840 0.017 0.000 0.757 134 L CB -0.544 41.526 42.059 0.017 0.000 0.899 134 L HN 0.445 nan 8.230 nan 0.000 0.434 135 E N -0.409 119.801 120.200 0.017 0.000 2.158 135 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 135 E C 2.013 178.623 176.600 0.017 0.000 0.982 135 E CA 0.721 57.130 56.400 0.016 0.000 0.823 135 E CB 0.145 29.854 29.700 0.015 0.000 0.766 135 E HN 0.529 nan 8.360 nan 0.000 0.468 136 E N 0.687 120.899 120.200 0.019 0.000 2.076 136 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 136 E C 2.204 178.818 176.600 0.024 0.000 0.979 136 E CA 0.292 56.705 56.400 0.022 0.000 0.807 136 E CB 0.050 29.764 29.700 0.024 0.000 0.761 136 E HN 0.149 nan 8.360 nan 0.000 0.454 137 L N 1.502 122.738 121.223 0.022 0.000 2.011 137 L HA -0.244 4.096 4.340 -0.000 0.000 0.225 137 L C -0.431 176.452 176.870 0.021 0.000 1.084 137 L CA 1.877 56.730 54.840 0.021 0.000 0.791 137 L CB -2.004 40.064 42.059 0.015 0.000 0.898 137 L HN 0.230 nan 8.230 nan 0.000 0.440 138 P HA -0.203 nan 4.420 nan 0.000 0.216 138 P C 1.194 178.508 177.300 0.022 0.000 1.150 138 P CA 1.711 64.822 63.100 0.018 0.000 0.843 138 P CB -0.075 31.634 31.700 0.015 0.000 0.787 139 K N -0.300 120.114 120.400 0.024 0.000 2.062 139 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 139 K C 2.167 178.789 176.600 0.037 0.000 1.051 139 K CA 0.960 57.263 56.287 0.027 0.000 0.941 139 K CB -0.727 31.787 32.500 0.024 0.000 0.719 139 K HN -0.005 nan 8.250 nan 0.000 0.440 140 V N 2.150 122.088 119.914 0.040 0.000 2.688 140 V HA -0.215 3.905 4.120 -0.000 0.000 0.256 140 V C 2.082 178.213 176.094 0.061 0.000 1.084 140 V CA 1.467 63.800 62.300 0.055 0.000 1.103 140 V CB -0.495 31.358 31.823 0.049 0.000 0.688 140 V HN 0.272 nan 8.190 nan 0.000 0.480 141 L N -0.920 120.331 121.223 0.045 0.000 2.071 141 L HA -0.052 4.288 4.340 -0.000 0.000 0.201 141 L C 2.578 179.474 176.870 0.044 0.000 1.076 141 L CA 1.234 56.100 54.840 0.043 0.000 0.755 141 L CB -0.475 41.602 42.059 0.030 0.000 0.915 141 L HN 0.234 nan 8.230 nan 0.000 0.445 142 E N 0.261 120.483 120.200 0.036 0.000 2.015 142 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 142 E C 0.689 177.313 176.600 0.041 0.000 0.991 142 E CA 0.790 57.209 56.400 0.032 0.000 0.802 142 E CB -0.008 29.706 29.700 0.023 0.000 0.759 142 E HN 0.130 nan 8.360 nan 0.000 0.447 143 E N 0.970 121.196 120.200 0.044 0.000 2.194 143 E HA 0.216 4.566 4.350 -0.000 0.000 0.284 143 E C -1.253 175.399 176.600 0.086 0.000 1.035 143 E CA -0.231 56.199 56.400 0.051 0.000 0.836 143 E CB 0.394 30.114 29.700 0.033 0.000 1.070 143 E HN 0.022 nan 8.360 nan 0.000 0.401 144 E N 2.018 122.298 120.200 0.132 0.000 7.438 144 E HA -0.080 4.270 4.350 -0.000 0.000 0.230 144 E C -0.225 176.505 176.600 0.217 0.000 0.890 144 E CA 0.841 57.386 56.400 0.242 0.000 1.606 144 E CB -0.741 29.086 29.700 0.211 0.000 0.905 144 E HN 0.650 nan 8.360 nan 0.000 0.266 145 G N 4.239 113.178 108.800 0.232 0.000 3.325 145 G HA2 0.189 4.149 3.960 -0.000 0.000 0.242 145 G HA3 0.189 4.149 3.960 -0.000 0.000 0.242 145 G C 0.307 175.244 174.900 0.062 0.000 1.120 145 G CA -0.274 44.871 45.100 0.074 0.000 1.778 145 G HN 0.386 nan 8.290 nan 0.000 0.610 146 I N 2.416 123.057 120.570 0.118 0.000 2.278 146 I HA 0.131 4.301 4.170 -0.000 0.000 0.296 146 I C 1.214 177.365 176.117 0.056 0.000 1.121 146 I CA 0.010 61.364 61.300 0.091 0.000 1.267 146 I CB -0.012 38.062 38.000 0.123 0.000 1.447 146 I HN 0.182 nan 8.210 nan 0.000 0.509 147 T N 0.079 114.658 114.554 0.041 0.000 3.174 147 T HA 0.184 4.534 4.350 -0.000 0.000 0.269 147 T C 0.450 175.172 174.700 0.036 0.000 1.017 147 T CA -0.412 61.711 62.100 0.037 0.000 0.899 147 T CB -0.223 68.671 68.868 0.043 0.000 1.077 147 T HN 0.487 nan 8.240 nan 0.000 0.552 148 S N 1.632 117.375 115.700 0.072 0.000 2.774 148 S HA 0.692 5.162 4.470 -0.000 0.000 0.297 148 S C -0.253 174.384 174.600 0.061 0.000 1.143 148 S CA -0.997 57.256 58.200 0.090 0.000 1.090 148 S CB 0.758 64.136 63.200 0.295 0.000 1.019 148 S HN 0.378 nan 8.310 nan 0.000 0.482 152 F N 4.503 124.547 119.950 0.157 0.000 2.411 152 F HA 0.499 5.026 4.527 -0.000 0.000 0.355 152 F C 1.387 177.287 175.800 0.167 0.000 1.117 152 F CA -0.516 57.591 58.000 0.179 0.000 1.139 152 F CB 1.511 40.645 39.000 0.223 0.000 1.120 152 F HN 0.434 nan 8.300 nan 0.000 0.493 153 M N 2.016 121.790 119.600 0.289 0.000 2.502 153 M HA 0.270 4.750 4.480 -0.000 0.000 0.243 153 M C 0.696 177.114 176.300 0.197 0.000 1.130 153 M CA 0.247 55.670 55.300 0.204 0.000 1.055 153 M CB 0.039 32.721 32.600 0.136 0.000 1.457 153 M HN 0.642 nan 8.290 nan 0.000 0.488 154 A N -1.266 121.684 122.820 0.217 0.000 2.616 154 A HA 0.629 4.949 4.320 -0.000 0.000 0.253 154 A C -0.808 176.867 177.584 0.153 0.000 1.239 154 A CA -0.460 51.626 52.037 0.082 0.000 0.914 154 A CB 0.355 19.307 19.000 -0.079 0.000 1.454 154 A HN 0.408 nan 8.150 nan 0.000 0.460 155 Y N -1.161 119.232 120.300 0.155 0.000 3.233 155 Y HA -0.146 4.404 4.550 -0.000 0.000 0.201 155 Y C 0.547 176.522 175.900 0.126 0.000 1.486 155 Y CA 0.705 58.888 58.100 0.137 0.000 1.326 155 Y CB -1.917 36.631 38.460 0.146 0.000 1.460 155 Y HN 0.744 nan 8.280 nan 0.000 0.512 156 K N 2.122 122.664 120.400 0.237 0.000 2.561 156 K HA -0.043 4.277 4.320 -0.000 0.000 0.280 156 K C 0.938 177.603 176.600 0.109 0.000 0.975 156 K CA 0.867 57.250 56.287 0.160 0.000 1.024 156 K CB 0.134 32.718 32.500 0.140 0.000 0.883 156 K HN 0.550 nan 8.250 nan 0.000 0.496 157 N N 1.344 120.084 118.700 0.067 0.000 2.725 157 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 157 N C -0.165 175.308 175.510 -0.062 0.000 1.103 157 N CA 1.003 54.057 53.050 0.007 0.000 0.707 157 N CB -1.155 37.336 38.487 0.006 0.000 1.043 157 N HN 0.390 nan 8.380 nan 0.000 0.553 158 V N -3.487 116.372 119.914 -0.092 0.000 3.110 158 V HA 0.231 4.351 4.120 -0.000 0.000 0.233 158 V C 0.679 176.331 176.094 -0.737 0.000 1.550 158 V CA 0.501 62.583 62.300 -0.362 0.000 1.186 158 V CB 0.153 31.827 31.823 -0.247 0.000 1.052 158 V HN 0.183 nan 8.190 nan 0.000 0.452 159 F N -0.864 119.034 119.950 -0.088 0.000 2.801 159 F HA 0.340 4.867 4.527 -0.000 0.000 0.381 159 F C 0.981 176.847 175.800 0.111 0.000 0.861 159 F CA -0.390 57.532 58.000 -0.129 0.000 1.039 159 F CB 0.379 38.977 39.000 -0.669 0.000 1.041 159 F HN -0.048 nan 8.300 nan 0.000 0.596 160 Q N 2.018 122.017 119.800 0.332 0.000 2.352 160 Q HA 0.345 4.685 4.340 -0.000 0.000 0.326 160 Q C -0.494 175.638 176.000 0.220 0.000 1.135 160 Q CA 0.512 56.490 55.803 0.291 0.000 1.000 160 Q CB 0.729 29.599 28.738 0.220 0.000 1.237 160 Q HN 0.315 nan 8.270 nan 0.000 0.409 161 A N 3.345 126.288 122.820 0.205 0.000 2.449 161 A HA 0.448 4.768 4.320 -0.000 0.000 0.302 161 A C -1.389 176.271 177.584 0.127 0.000 1.048 161 A CA -0.741 51.389 52.037 0.156 0.000 0.708 161 A CB 1.226 20.325 19.000 0.165 0.000 1.274 161 A HN 0.896 nan 8.150 nan 0.000 0.410 162 D N 0.658 121.119 120.400 0.103 0.000 2.371 162 D HA 0.216 4.856 4.640 -0.000 0.000 0.242 162 D C 0.098 176.453 176.300 0.092 0.000 1.218 162 D CA -0.302 53.750 54.000 0.087 0.000 0.945 162 D CB 0.594 41.436 40.800 0.070 0.000 1.137 162 D HN 0.351 nan 8.370 nan 0.000 0.464 163 D N 0.669 121.117 120.400 0.080 0.000 2.221 163 D HA -0.096 4.544 4.640 -0.000 0.000 0.204 163 D C 2.132 178.505 176.300 0.123 0.000 0.982 163 D CA 1.433 55.487 54.000 0.092 0.000 0.857 163 D CB -0.518 40.320 40.800 0.064 0.000 0.934 163 D HN 0.693 nan 8.370 nan 0.000 0.475 164 G N 0.234 109.093 108.800 0.099 0.000 2.402 164 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 164 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 164 G C 1.729 176.715 174.900 0.145 0.000 1.162 164 G CA 1.226 46.397 45.100 0.119 0.000 0.777 164 G HN 0.221 nan 8.290 nan 0.000 0.539 165 T N 1.138 115.759 114.554 0.112 0.000 2.777 165 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 165 T C 2.233 176.992 174.700 0.098 0.000 1.040 165 T CA 1.103 63.263 62.100 0.100 0.000 1.141 165 T CB -0.226 68.700 68.868 0.096 0.000 0.868 165 T HN 0.123 nan 8.240 nan 0.000 0.444 166 L N 0.458 121.746 121.223 0.109 0.000 1.989 166 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 166 L C 2.135 179.052 176.870 0.079 0.000 1.071 166 L CA 1.752 56.646 54.840 0.090 0.000 0.749 166 L CB -1.025 41.092 42.059 0.097 0.000 0.890 166 L HN 0.313 nan 8.230 nan 0.000 0.431 167 Y N -0.627 119.687 120.300 0.025 0.000 2.097 167 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 167 Y C 2.691 178.601 175.900 0.016 0.000 1.152 167 Y CA 2.252 60.362 58.100 0.017 0.000 1.136 167 Y CB -0.689 37.781 38.460 0.016 0.000 0.975 167 Y HN 0.299 nan 8.280 nan 0.000 0.498 168 C N -0.164 119.167 119.300 0.053 0.000 2.419 168 C HA -0.147 4.313 4.460 -0.000 0.000 0.281 168 C C 2.612 177.552 174.990 -0.083 0.000 1.336 168 C CA 1.719 60.724 59.018 -0.022 0.000 1.770 168 C CB -1.357 26.429 27.740 0.077 0.000 1.929 168 C HN 0.671 nan 8.230 nan 0.000 0.509 169 T N 1.256 115.779 114.554 -0.051 0.000 2.737 169 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 169 T C 1.730 176.369 174.700 -0.102 0.000 1.038 169 T CA 1.112 63.183 62.100 -0.047 0.000 1.144 169 T CB -0.255 68.607 68.868 -0.010 0.000 0.866 169 T HN 0.455 nan 8.240 nan 0.000 0.434 170 L N 0.514 121.645 121.223 -0.154 0.000 2.042 170 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 170 L C 2.452 179.192 176.870 -0.217 0.000 1.076 170 L CA 1.257 55.984 54.840 -0.188 0.000 0.749 170 L CB -0.649 41.273 42.059 -0.229 0.000 0.893 170 L HN 0.275 nan 8.230 nan 0.000 0.432 171 L N -0.775 120.268 121.223 -0.300 0.000 1.976 171 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 171 L C 2.933 179.731 176.870 -0.120 0.000 1.071 171 L CA 1.241 55.947 54.840 -0.223 0.000 0.746 171 L CB -1.018 40.901 42.059 -0.234 0.000 0.890 171 L HN 0.223 nan 8.230 nan 0.000 0.432 172 A N 0.376 123.139 122.820 -0.095 0.000 1.903 172 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 172 A C 2.547 180.098 177.584 -0.056 0.000 1.191 172 A CA 2.371 54.376 52.037 -0.054 0.000 0.638 172 A CB -0.933 18.046 19.000 -0.035 0.000 0.823 172 A HN 0.460 nan 8.150 nan 0.000 0.451 173 A N -0.411 122.362 122.820 -0.077 0.000 1.865 173 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 173 A C 2.160 179.690 177.584 -0.089 0.000 1.191 173 A CA 2.227 54.211 52.037 -0.090 0.000 0.623 173 A CB -0.562 18.368 19.000 -0.117 0.000 0.826 173 A HN 0.598 nan 8.150 nan 0.000 0.444 174 K N -0.325 120.022 120.400 -0.089 0.000 2.032 174 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 174 K C 2.120 178.703 176.600 -0.027 0.000 1.048 174 K CA 1.875 58.127 56.287 -0.058 0.000 0.927 174 K CB -0.202 32.263 32.500 -0.058 0.000 0.712 174 K HN 0.653 nan 8.250 nan 0.000 0.441 175 E N 0.447 120.628 120.200 -0.032 0.000 2.017 175 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 175 E C 2.056 178.652 176.600 -0.005 0.000 0.997 175 E CA 1.358 57.749 56.400 -0.015 0.000 0.804 175 E CB -0.060 29.629 29.700 -0.018 0.000 0.757 175 E HN 0.337 nan 8.360 nan 0.000 0.448 176 L N -0.612 120.604 121.223 -0.012 0.000 2.291 176 L HA 0.062 4.402 4.340 -0.000 0.000 0.214 176 L C 1.229 178.103 176.870 0.006 0.000 1.120 176 L CA 0.589 55.428 54.840 -0.002 0.000 0.799 176 L CB -0.109 41.947 42.059 -0.005 0.000 0.925 176 L HN 0.478 nan 8.230 nan 0.000 0.446 177 G N 0.310 109.110 108.800 0.000 0.000 2.467 177 G HA2 0.011 3.971 3.960 -0.000 0.000 0.242 177 G HA3 0.011 3.971 3.960 -0.000 0.000 0.242 177 G C -0.164 174.735 174.900 -0.002 0.000 1.127 177 G CA -0.102 45.017 45.100 0.032 0.000 0.924 177 G HN 0.522 nan 8.290 nan 0.000 0.499 178 A N -0.555 122.204 122.820 -0.101 0.000 2.430 178 A HA 0.961 5.281 4.320 -0.000 0.000 0.300 178 A C -0.561 176.811 177.584 -0.353 0.000 1.124 178 A CA -0.800 51.147 52.037 -0.150 0.000 0.766 178 A CB 1.919 20.872 19.000 -0.078 0.000 1.328 178 A HN 1.633 nan 8.150 nan 0.000 0.424 179 L N 1.439 122.446 121.223 -0.359 0.000 2.296 179 L HA 0.627 4.967 4.340 -0.000 0.000 0.286 179 L C -0.721 176.031 176.870 -0.197 0.000 1.023 179 L CA -0.287 54.286 54.840 -0.445 0.000 0.812 179 L CB 1.448 43.207 42.059 -0.501 0.000 1.223 179 L HN 0.399 nan 8.230 nan 0.000 0.421 180 V N 6.678 126.506 119.914 -0.144 0.000 2.461 180 V HA 0.364 4.484 4.120 -0.000 0.000 0.275 180 V C 0.545 176.638 176.094 -0.002 0.000 1.047 180 V CA -0.199 62.063 62.300 -0.063 0.000 0.955 180 V CB 0.983 32.774 31.823 -0.053 0.000 0.988 180 V HN 0.802 nan 8.190 nan 0.000 0.471 181 M N 4.865 124.463 119.600 -0.003 0.000 2.478 181 M HA 0.706 5.186 4.480 -0.000 0.000 0.327 181 M C -1.000 175.292 176.300 -0.014 0.000 1.187 181 M CA -0.726 54.604 55.300 0.049 0.000 1.022 181 M CB 2.159 34.748 32.600 -0.017 0.000 1.629 181 M HN 0.354 nan 8.290 nan 0.000 0.461 182 V N 0.352 120.251 119.914 -0.025 0.000 2.808 182 V HA 0.218 4.338 4.120 -0.000 0.000 0.308 182 V C -1.366 174.643 176.094 -0.141 0.000 1.099 182 V CA -0.735 61.514 62.300 -0.085 0.000 0.920 182 V CB 2.082 33.886 31.823 -0.032 0.000 1.014 182 V HN 0.869 nan 8.190 nan 0.000 0.425 183 H N 3.629 122.557 119.070 -0.237 0.000 2.787 183 H HA 0.663 5.219 4.556 -0.000 0.000 0.275 183 H C 0.306 175.626 175.328 -0.014 0.000 1.183 183 H CA -0.042 55.931 56.048 -0.125 0.000 1.290 183 H CB 0.976 30.692 29.762 -0.077 0.000 1.438 183 H HN 0.856 nan 8.280 nan 0.000 0.487 184 A N 5.457 128.192 122.820 -0.142 0.000 2.807 184 A HA 0.250 4.570 4.320 -0.000 0.000 0.307 184 A C -0.227 177.317 177.584 -0.067 0.000 1.532 184 A CA -0.287 51.710 52.037 -0.067 0.000 1.215 184 A CB -0.233 18.719 19.000 -0.080 0.000 1.127 184 A HN 0.869 nan 8.150 nan 0.000 0.543 185 E N 1.167 121.386 120.200 0.031 0.000 2.308 185 E HA 0.116 4.466 4.350 -0.000 0.000 0.275 185 E C -1.009 175.622 176.600 0.052 0.000 0.890 185 E CA -0.816 55.597 56.400 0.021 0.000 0.754 185 E CB 1.443 31.169 29.700 0.043 0.000 1.207 185 E HN 0.587 nan 8.360 nan 0.000 0.426 186 N N 2.339 121.056 118.700 0.029 0.000 2.498 186 N HA -0.006 4.734 4.740 -0.000 0.000 0.277 186 N C 0.890 176.432 175.510 0.054 0.000 1.208 186 N CA 0.261 53.334 53.050 0.038 0.000 1.029 186 N CB 0.689 39.188 38.487 0.019 0.000 1.403 186 N HN 0.782 nan 8.380 nan 0.000 0.500 187 G N 2.855 111.700 108.800 0.076 0.000 2.513 187 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 187 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 187 G C 1.078 176.044 174.900 0.109 0.000 1.160 187 G CA 0.663 45.820 45.100 0.095 0.000 0.767 187 G HN 0.538 nan 8.290 nan 0.000 0.571 188 D N 0.073 120.530 120.400 0.094 0.000 2.149 188 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 188 D C 2.744 179.096 176.300 0.088 0.000 0.990 188 D CA 1.046 55.105 54.000 0.099 0.000 0.839 188 D CB -0.323 40.502 40.800 0.042 0.000 0.948 188 D HN 0.277 nan 8.370 nan 0.000 0.460 189 V N 1.212 121.148 119.914 0.037 0.000 2.346 189 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 189 V C 2.562 178.721 176.094 0.108 0.000 1.037 189 V CA 0.716 63.030 62.300 0.023 0.000 1.029 189 V CB -0.286 31.534 31.823 -0.005 0.000 0.663 189 V HN 0.147 nan 8.190 nan 0.000 0.454 190 I N 0.591 121.221 120.570 0.100 0.000 2.248 190 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 190 I C 2.463 178.682 176.117 0.171 0.000 1.107 190 I CA 2.021 63.390 61.300 0.116 0.000 1.373 190 I CB -0.497 37.559 38.000 0.092 0.000 1.055 190 I HN 0.471 nan 8.210 nan 0.000 0.418 191 D N 0.696 121.214 120.400 0.197 0.000 2.087 191 D HA -0.243 4.397 4.640 -0.000 0.000 0.192 191 D C 2.199 178.645 176.300 0.243 0.000 0.993 191 D CA 1.858 55.988 54.000 0.217 0.000 0.828 191 D CB -0.091 40.852 40.800 0.238 0.000 0.968 191 D HN 0.261 nan 8.370 nan 0.000 0.448 192 Y N 1.170 121.507 120.300 0.062 0.000 2.165 192 Y HA -0.130 4.420 4.550 -0.000 0.000 0.286 192 Y C 2.616 178.557 175.900 0.069 0.000 1.155 192 Y CA 0.693 58.826 58.100 0.055 0.000 1.164 192 Y CB -0.700 37.787 38.460 0.045 0.000 0.978 192 Y HN 0.032 nan 8.280 nan 0.000 0.513 193 L N -1.243 120.131 121.223 0.251 0.000 2.042 193 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 193 L C 2.355 179.345 176.870 0.199 0.000 1.076 193 L CA 1.882 56.834 54.840 0.186 0.000 0.749 193 L CB -1.051 41.099 42.059 0.151 0.000 0.893 193 L HN 0.206 nan 8.230 nan 0.000 0.432 194 T N -0.286 114.401 114.554 0.220 0.000 2.622 194 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 194 T C 1.915 176.715 174.700 0.166 0.000 1.047 194 T CA 1.427 63.691 62.100 0.274 0.000 1.159 194 T CB -0.088 68.913 68.868 0.220 0.000 0.863 194 T HN 0.277 nan 8.240 nan 0.000 0.422 195 K N 0.860 121.304 120.400 0.075 0.000 2.044 195 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 195 K C 2.426 179.039 176.600 0.020 0.000 1.049 195 K CA 1.367 57.655 56.287 0.001 0.000 0.927 195 K CB -0.199 32.253 32.500 -0.080 0.000 0.713 195 K HN 0.249 nan 8.250 nan 0.000 0.443 196 K N 0.841 121.271 120.400 0.050 0.000 2.057 196 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 196 K C 2.185 178.818 176.600 0.054 0.000 1.049 196 K CA 1.197 57.514 56.287 0.050 0.000 0.931 196 K CB -0.123 32.423 32.500 0.076 0.000 0.714 196 K HN 0.148 nan 8.250 nan 0.000 0.440 197 A N 1.703 124.585 122.820 0.104 0.000 1.873 197 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 197 A C 2.162 179.771 177.584 0.042 0.000 1.193 197 A CA 1.727 53.816 52.037 0.087 0.000 0.629 197 A CB -0.829 18.320 19.000 0.249 0.000 0.826 197 A HN 0.335 nan 8.150 nan 0.000 0.447 198 L N -0.883 120.396 121.223 0.094 0.000 1.989 198 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 198 L C 3.065 179.927 176.870 -0.014 0.000 1.071 198 L CA 1.214 56.068 54.840 0.023 0.000 0.749 198 L CB -0.710 41.326 42.059 -0.039 0.000 0.890 198 L HN 0.448 nan 8.230 nan 0.000 0.431 199 A N -0.594 122.219 122.820 -0.012 0.000 2.139 199 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 199 A C 1.466 179.039 177.584 -0.019 0.000 1.159 199 A CA 1.948 53.974 52.037 -0.018 0.000 0.662 199 A CB -0.420 18.572 19.000 -0.014 0.000 0.796 199 A HN 0.450 nan 8.150 nan 0.000 0.463 200 D N -1.960 118.424 120.400 -0.027 0.000 2.402 200 D HA 0.318 4.958 4.640 -0.000 0.000 0.216 200 D C 1.290 177.552 176.300 -0.063 0.000 1.128 200 D CA 0.845 54.823 54.000 -0.037 0.000 0.833 200 D CB 0.230 41.009 40.800 -0.035 0.000 0.971 200 D HN 0.535 nan 8.370 nan 0.000 0.503 201 G N 1.556 110.318 108.800 -0.063 0.000 2.179 201 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G C 0.212 175.034 174.900 -0.131 0.000 0.977 201 G CA -0.390 44.670 45.100 -0.066 0.000 0.641 201 G HN 0.238 nan 8.290 nan 0.000 0.533 202 N N 1.387 119.912 118.700 -0.291 0.000 2.421 202 N HA 0.318 5.058 4.740 -0.000 0.000 0.260 202 N C 1.309 176.629 175.510 -0.317 0.000 1.173 202 N CA 1.003 53.592 53.050 -0.769 0.000 0.960 202 N CB 1.085 38.571 38.487 -1.668 0.000 1.273 202 N HN 0.617 nan 8.380 nan 0.000 0.497 203 T N -3.340 111.222 114.554 0.013 0.000 2.975 203 T HA 0.087 4.437 4.350 -0.000 0.000 0.257 203 T C 0.392 175.381 174.700 0.482 0.000 1.003 203 T CA -0.335 61.983 62.100 0.364 0.000 0.932 203 T CB 0.450 69.435 68.868 0.196 0.000 1.087 203 T HN 0.101 nan 8.240 nan 0.000 0.512 204 D N 3.248 123.890 120.400 0.404 0.000 2.390 204 D HA 0.122 4.762 4.640 -0.000 0.000 0.236 204 D C -1.522 174.936 176.300 0.263 0.000 1.189 204 D CA -1.575 52.635 54.000 0.350 0.000 0.887 204 D CB 0.946 41.920 40.800 0.291 0.000 1.198 204 D HN 0.052 nan 8.370 nan 0.000 0.444 205 P HA -0.137 nan 4.420 nan 0.000 0.217 205 P C 1.644 178.911 177.300 -0.055 0.000 1.148 205 P CA 0.699 63.815 63.100 0.026 0.000 0.834 205 P CB 0.217 31.843 31.700 -0.124 0.000 0.783 206 I N -2.080 118.420 120.570 -0.117 0.000 2.361 206 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 206 I C 1.476 177.348 176.117 -0.408 0.000 1.133 206 I CA 1.393 62.543 61.300 -0.251 0.000 1.413 206 I CB -0.167 37.638 38.000 -0.325 0.000 1.073 206 I HN -0.048 nan 8.210 nan 0.000 0.424 207 Y N -0.543 119.533 120.300 -0.373 0.000 2.639 207 Y HA -0.252 4.298 4.550 -0.000 0.000 0.297 207 Y C 2.374 177.763 175.900 -0.852 0.000 1.151 207 Y CA 1.374 59.112 58.100 -0.603 0.000 1.335 207 Y CB -0.625 37.399 38.460 -0.727 0.000 0.994 207 Y HN 0.387 nan 8.280 nan 0.000 0.548 208 H N -0.259 118.412 119.070 -0.666 0.000 2.389 208 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 208 H C 2.115 177.369 175.328 -0.124 0.000 1.081 208 H CA 1.441 57.317 56.048 -0.288 0.000 1.345 208 H CB -0.028 29.721 29.762 -0.023 0.000 1.393 208 H HN 0.207 nan 8.280 nan 0.000 0.520 209 A N 0.641 123.310 122.820 -0.252 0.000 1.855 209 A HA 0.021 4.341 4.320 -0.000 0.000 0.213 209 A C 2.465 179.933 177.584 -0.193 0.000 1.195 209 A CA 1.139 53.035 52.037 -0.235 0.000 0.610 209 A CB -0.806 18.110 19.000 -0.140 0.000 0.837 209 A HN 0.434 nan 8.150 nan 0.000 0.444 210 L N -0.677 120.430 121.223 -0.194 0.000 2.191 210 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 210 L C 2.524 179.363 176.870 -0.051 0.000 1.103 210 L CA 1.544 56.310 54.840 -0.123 0.000 0.769 210 L CB -0.798 41.162 42.059 -0.164 0.000 0.908 210 L HN 0.348 nan 8.230 nan 0.000 0.438 211 T N 0.200 114.715 114.554 -0.064 0.000 3.072 211 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 211 T C 0.847 175.558 174.700 0.018 0.000 1.127 211 T CA 0.466 62.585 62.100 0.032 0.000 1.107 211 T CB -0.068 68.867 68.868 0.110 0.000 0.910 211 T HN 0.416 nan 8.240 nan 0.000 0.513 212 R N 1.510 121.976 120.500 -0.056 0.000 2.718 212 R HA 0.314 4.654 4.340 -0.000 0.000 0.266 212 R C -3.304 172.954 176.300 -0.070 0.000 1.776 212 R CA -1.741 54.326 56.100 -0.054 0.000 1.567 212 R CB 0.512 30.761 30.300 -0.084 0.000 1.336 212 R HN 0.108 nan 8.270 nan 0.000 0.619 213 P HA 0.052 nan 4.420 nan 0.000 0.267 213 P C -1.726 175.542 177.300 -0.053 0.000 1.200 213 P CA -0.798 62.280 63.100 -0.037 0.000 0.772 213 P CB 0.949 32.648 31.700 -0.002 0.000 0.855 214 P HA -0.181 nan 4.420 nan 0.000 0.221 214 P C 1.079 178.354 177.300 -0.043 0.000 1.145 214 P CA 1.471 64.510 63.100 -0.103 0.000 0.795 214 P CB 0.151 31.757 31.700 -0.157 0.000 0.775 215 E N 0.283 120.480 120.200 -0.004 0.000 2.118 215 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 215 E C 2.140 178.736 176.600 -0.007 0.000 0.992 215 E CA 1.063 57.469 56.400 0.010 0.000 0.804 215 E CB -1.054 28.659 29.700 0.022 0.000 0.741 215 E HN 0.310 nan 8.360 nan 0.000 0.458 216 L N 0.285 121.499 121.223 -0.016 0.000 2.291 216 L HA -0.073 4.266 4.340 -0.000 0.000 0.214 216 L C 2.439 179.290 176.870 -0.030 0.000 1.120 216 L CA 0.927 55.758 54.840 -0.016 0.000 0.799 216 L CB -0.249 41.804 42.059 -0.010 0.000 0.925 216 L HN 0.167 nan 8.230 nan 0.000 0.446 217 E N 0.526 120.693 120.200 -0.056 0.000 2.076 217 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 217 E C 2.202 178.764 176.600 -0.064 0.000 0.979 217 E CA 0.878 57.230 56.400 -0.080 0.000 0.807 217 E CB -0.003 29.619 29.700 -0.131 0.000 0.761 217 E HN 0.401 nan 8.360 nan 0.000 0.454 218 G N 1.555 110.325 108.800 -0.049 0.000 2.433 218 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 218 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 218 G C 1.490 176.377 174.900 -0.022 0.000 1.186 218 G CA 0.781 45.862 45.100 -0.031 0.000 0.779 218 G HN 0.229 nan 8.290 nan 0.000 0.543 219 E N 1.339 121.531 120.200 -0.014 0.000 2.048 219 E HA -0.205 4.145 4.350 -0.000 0.000 0.202 219 E C 2.848 179.443 176.600 -0.008 0.000 1.021 219 E CA 1.629 58.024 56.400 -0.008 0.000 0.825 219 E CB -0.675 29.022 29.700 -0.004 0.000 0.756 219 E HN 0.253 nan 8.360 nan 0.000 0.454 220 A N 0.220 123.034 122.820 -0.010 0.000 1.883 220 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 220 A C 2.523 180.100 177.584 -0.012 0.000 1.186 220 A CA 2.672 54.707 52.037 -0.003 0.000 0.624 220 A CB -1.206 17.794 19.000 0.001 0.000 0.822 220 A HN 0.424 nan 8.150 nan 0.000 0.444 221 T N -0.149 114.386 114.554 -0.032 0.000 2.737 221 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 221 T C 1.910 176.593 174.700 -0.028 0.000 1.040 221 T CA 1.570 63.645 62.100 -0.041 0.000 1.142 221 T CB -0.698 68.134 68.868 -0.060 0.000 0.861 221 T HN 0.630 nan 8.240 nan 0.000 0.456 222 G N 1.619 110.407 108.800 -0.020 0.000 2.433 222 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 222 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 222 G C 1.703 176.600 174.900 -0.004 0.000 1.186 222 G CA 0.402 45.493 45.100 -0.014 0.000 0.779 222 G HN 0.411 nan 8.290 nan 0.000 0.543 223 R N 0.685 121.187 120.500 0.004 0.000 2.094 223 R HA -0.100 4.240 4.340 -0.000 0.000 0.239 223 R C 3.047 179.362 176.300 0.025 0.000 1.137 223 R CA 1.338 57.448 56.100 0.017 0.000 0.943 223 R CB -0.754 29.560 30.300 0.023 0.000 0.850 223 R HN 0.340 nan 8.270 nan 0.000 0.433 224 A N 1.118 123.949 122.820 0.018 0.000 1.903 224 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 224 A C 2.585 180.178 177.584 0.014 0.000 1.191 224 A CA 1.951 53.999 52.037 0.018 0.000 0.638 224 A CB -1.073 17.928 19.000 0.001 0.000 0.823 224 A HN 0.496 nan 8.150 nan 0.000 0.451 225 C N -1.216 118.083 119.300 -0.002 0.000 2.442 225 C HA -0.130 4.330 4.460 -0.000 0.000 0.279 225 C C 2.926 177.920 174.990 0.006 0.000 1.237 225 C CA 1.175 60.187 59.018 -0.010 0.000 1.722 225 C CB -1.500 26.224 27.740 -0.027 0.000 2.056 225 C HN 0.702 nan 8.230 nan 0.000 0.469 226 Q N 0.330 120.136 119.800 0.011 0.000 2.096 226 Q HA -0.224 4.116 4.340 -0.000 0.000 0.208 226 Q C 2.185 178.216 176.000 0.052 0.000 0.993 226 Q CA 1.552 57.367 55.803 0.021 0.000 0.862 226 Q CB -0.380 28.368 28.738 0.016 0.000 0.915 226 Q HN 0.679 nan 8.270 nan 0.000 0.416 227 L N -0.006 121.261 121.223 0.074 0.000 2.046 227 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 227 L C 2.455 179.400 176.870 0.125 0.000 1.077 227 L CA 1.321 56.252 54.840 0.151 0.000 0.747 227 L CB -0.815 41.351 42.059 0.178 0.000 0.896 227 L HN 0.271 nan 8.230 nan 0.000 0.432 228 T N -0.886 113.700 114.554 0.054 0.000 2.803 228 T HA -0.257 4.093 4.350 -0.000 0.000 0.269 228 T C 1.708 176.419 174.700 0.018 0.000 1.052 228 T CA 1.645 63.753 62.100 0.013 0.000 1.136 228 T CB -0.143 68.724 68.868 -0.002 0.000 0.864 228 T HN 0.416 nan 8.240 nan 0.000 0.467 229 E N 0.569 120.787 120.200 0.030 0.000 2.017 229 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 229 E C 2.237 178.870 176.600 0.055 0.000 0.997 229 E CA 0.959 57.375 56.400 0.026 0.000 0.804 229 E CB -0.269 29.441 29.700 0.018 0.000 0.757 229 E HN 0.290 nan 8.360 nan 0.000 0.448 230 L N 1.117 122.398 121.223 0.097 0.000 2.021 230 L HA -0.219 4.120 4.340 -0.000 0.000 0.215 230 L C 2.331 179.316 176.870 0.191 0.000 1.074 230 L CA 2.553 57.485 54.840 0.153 0.000 0.760 230 L CB -0.678 41.510 42.059 0.215 0.000 0.889 230 L HN 0.270 nan 8.230 nan 0.000 0.433 231 A N -1.211 121.707 122.820 0.163 0.000 2.066 231 A HA 0.213 4.533 4.320 -0.000 0.000 0.218 231 A C 1.816 179.385 177.584 -0.025 0.000 1.157 231 A CA 0.983 53.003 52.037 -0.030 0.000 0.670 231 A CB -1.031 17.785 19.000 -0.307 0.000 0.804 231 A HN 0.999 nan 8.150 nan 0.000 0.453 232 G N -0.434 108.368 108.800 0.003 0.000 2.176 232 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.252 232 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.252 232 G C 0.512 175.406 174.900 -0.010 0.000 1.024 232 G CA 1.202 46.304 45.100 0.002 0.000 0.755 232 G HN 1.498 nan 8.290 nan 0.000 0.507 233 S N -1.047 114.634 115.700 -0.031 0.000 2.638 233 S HA 0.829 5.299 4.470 -0.000 0.000 0.256 233 S C -0.035 174.558 174.600 -0.013 0.000 1.089 233 S CA 0.141 58.318 58.200 -0.038 0.000 1.020 233 S CB 1.192 64.339 63.200 -0.089 0.000 1.252 233 S HN 0.990 nan 8.310 nan 0.000 0.542 234 Q N 0.428 120.199 119.800 -0.049 0.000 2.353 234 Q HA 0.725 5.064 4.340 -0.000 0.000 0.268 234 Q C -1.618 174.385 176.000 0.005 0.000 1.045 234 Q CA -0.836 54.970 55.803 0.005 0.000 0.811 234 Q CB 1.696 30.410 28.738 -0.040 0.000 1.305 234 Q HN 0.565 nan 8.270 nan 0.000 0.447 235 L N 2.328 123.611 121.223 0.099 0.000 2.333 235 L HA 0.624 4.964 4.340 -0.000 0.000 0.269 235 L C -1.795 175.238 176.870 0.272 0.000 1.010 235 L CA -0.882 54.024 54.840 0.111 0.000 0.818 235 L CB 1.979 44.065 42.059 0.044 0.000 1.306 235 L HN 0.694 nan 8.230 nan 0.000 0.430 236 Y N 3.675 124.016 120.300 0.068 0.000 2.359 236 Y HA 0.523 5.073 4.550 -0.000 0.000 0.336 236 Y C -1.344 174.566 175.900 0.018 0.000 1.098 236 Y CA -0.919 57.241 58.100 0.100 0.000 1.272 236 Y CB 1.146 39.632 38.460 0.043 0.000 1.112 236 Y HN 0.290 nan 8.280 nan 0.000 0.481 237 V N 7.149 126.976 119.914 -0.145 0.000 2.439 237 V HA 0.221 4.341 4.120 -0.000 0.000 0.271 237 V C 0.495 176.420 176.094 -0.281 0.000 1.040 237 V CA -0.299 61.900 62.300 -0.169 0.000 1.002 237 V CB 0.292 32.017 31.823 -0.163 0.000 1.000 237 V HN 0.611 nan 8.190 nan 0.000 0.477 238 V N 3.178 122.953 119.914 -0.231 0.000 2.953 238 V HA 0.431 4.551 4.120 -0.000 0.000 0.304 238 V C 0.555 176.345 176.094 -0.507 0.000 1.073 238 V CA -0.556 61.576 62.300 -0.279 0.000 1.064 238 V CB 0.321 31.935 31.823 -0.349 0.000 1.047 238 V HN 1.293 nan 8.190 nan 0.000 0.478 239 H N 0.457 119.580 119.070 0.087 0.000 2.252 239 H HA -0.119 4.437 4.556 -0.000 0.000 0.314 239 H C -0.511 174.656 175.328 -0.268 0.000 0.918 239 H CA 0.356 56.377 56.048 -0.044 0.000 1.042 239 H CB -2.610 27.176 29.762 0.040 0.000 1.604 239 H HN 0.693 nan 8.280 nan 0.000 0.331 240 V N 2.686 122.528 119.914 -0.119 0.000 2.508 240 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 240 V C 1.296 177.209 176.094 -0.302 0.000 1.041 240 V CA 0.765 62.954 62.300 -0.186 0.000 1.016 240 V CB 1.309 33.040 31.823 -0.153 0.000 0.984 240 V HN 0.942 nan 8.190 nan 0.000 0.478 241 T N 2.970 117.295 114.554 -0.382 0.000 3.151 241 T HA 0.078 4.428 4.350 -0.000 0.000 0.239 241 T C 0.746 175.236 174.700 -0.351 0.000 0.979 241 T CA 0.733 62.530 62.100 -0.504 0.000 1.194 241 T CB 0.369 68.824 68.868 -0.689 0.000 0.982 241 T HN 0.871 nan 8.240 nan 0.000 0.428 242 C N 1.369 120.466 119.300 -0.338 0.000 2.345 242 C HA 0.936 5.396 4.460 -0.000 0.000 0.369 242 C C 2.246 177.206 174.990 -0.051 0.000 1.273 242 C CA -0.664 58.139 59.018 -0.358 0.000 2.310 242 C CB 0.427 27.919 27.740 -0.415 0.000 2.219 242 C HN 0.508 nan 8.230 nan 0.000 0.587 243 A N 0.103 123.050 122.820 0.212 0.000 1.855 243 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 243 A C 2.093 179.720 177.584 0.072 0.000 1.191 243 A CA 2.097 54.195 52.037 0.103 0.000 0.613 243 A CB -1.083 17.971 19.000 0.089 0.000 0.829 243 A HN 0.960 nan 8.150 nan 0.000 0.442 244 Q N 0.038 119.895 119.800 0.095 0.000 2.156 244 Q HA -0.204 4.136 4.340 -0.000 0.000 0.211 244 Q C 2.248 178.249 176.000 0.002 0.000 0.995 244 Q CA 2.282 58.117 55.803 0.054 0.000 0.877 244 Q CB -0.681 28.087 28.738 0.050 0.000 0.920 244 Q HN 0.693 nan 8.270 nan 0.000 0.416 245 A N -0.171 122.628 122.820 -0.034 0.000 1.873 245 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 245 A C 2.340 179.890 177.584 -0.056 0.000 1.186 245 A CA 1.443 53.443 52.037 -0.062 0.000 0.616 245 A CB -0.782 18.155 19.000 -0.105 0.000 0.823 245 A HN 0.222 nan 8.150 nan 0.000 0.442 246 V N 0.321 120.206 119.914 -0.049 0.000 2.324 246 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 246 V C 2.519 178.595 176.094 -0.030 0.000 1.060 246 V CA 2.430 64.704 62.300 -0.043 0.000 1.042 246 V CB -0.839 30.970 31.823 -0.024 0.000 0.650 246 V HN 0.764 nan 8.190 nan 0.000 0.450 247 E N 0.211 120.405 120.200 -0.008 0.000 2.038 247 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 247 E C 2.331 178.919 176.600 -0.021 0.000 1.000 247 E CA 1.380 57.778 56.400 -0.003 0.000 0.803 247 E CB -0.017 29.694 29.700 0.018 0.000 0.750 247 E HN 0.437 nan 8.360 nan 0.000 0.448 248 K N 0.492 120.877 120.400 -0.025 0.000 2.044 248 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 248 K C 2.239 178.809 176.600 -0.051 0.000 1.049 248 K CA 1.229 57.496 56.287 -0.033 0.000 0.927 248 K CB -0.569 31.911 32.500 -0.034 0.000 0.713 248 K HN 0.365 nan 8.250 nan 0.000 0.443 249 I N 0.957 121.489 120.570 -0.063 0.000 2.361 249 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 249 I C 2.434 178.495 176.117 -0.093 0.000 1.133 249 I CA 0.917 62.164 61.300 -0.087 0.000 1.413 249 I CB -0.373 37.568 38.000 -0.098 0.000 1.073 249 I HN 0.062 nan 8.210 nan 0.000 0.424 250 A N 0.781 123.560 122.820 -0.069 0.000 1.873 250 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 250 A C 2.201 179.746 177.584 -0.065 0.000 1.186 250 A CA 1.530 53.528 52.037 -0.065 0.000 0.616 250 A CB -0.536 18.440 19.000 -0.039 0.000 0.823 250 A HN 0.409 nan 8.150 nan 0.000 0.442 251 E N -0.041 120.128 120.200 -0.051 0.000 2.058 251 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 251 E C 2.358 178.921 176.600 -0.061 0.000 0.997 251 E CA 1.068 57.440 56.400 -0.046 0.000 0.801 251 E CB -0.380 29.299 29.700 -0.034 0.000 0.746 251 E HN 0.604 nan 8.360 nan 0.000 0.450 252 A N 1.766 124.544 122.820 -0.071 0.000 1.859 252 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 252 A C 2.106 179.621 177.584 -0.114 0.000 1.198 252 A CA 1.862 53.848 52.037 -0.086 0.000 0.629 252 A CB -0.632 18.311 19.000 -0.096 0.000 0.830 252 A HN 0.114 nan 8.150 nan 0.000 0.446 253 R N -0.571 119.840 120.500 -0.149 0.000 2.152 253 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 253 R C 1.735 177.955 176.300 -0.133 0.000 1.117 253 R CA 1.204 57.192 56.100 -0.187 0.000 0.981 253 R CB -0.365 29.797 30.300 -0.231 0.000 0.870 253 R HN 0.527 nan 8.270 nan 0.000 0.451 254 N N 1.083 119.725 118.700 -0.096 0.000 2.188 254 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 254 N C 1.013 176.485 175.510 -0.063 0.000 1.018 254 N CA 1.189 54.196 53.050 -0.071 0.000 0.858 254 N CB -0.005 38.450 38.487 -0.053 0.000 0.989 254 N HN 0.198 nan 8.380 nan 0.000 0.426 255 K N 0.065 120.427 120.400 -0.063 0.000 2.589 255 K HA 0.097 4.417 4.320 -0.000 0.000 0.192 255 K C 0.800 177.366 176.600 -0.056 0.000 1.029 255 K CA 0.423 56.679 56.287 -0.051 0.000 1.031 255 K CB 0.034 32.508 32.500 -0.043 0.000 0.821 255 K HN 0.261 nan 8.250 nan 0.000 0.502 256 G N 1.450 110.205 108.800 -0.076 0.000 2.179 256 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 256 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 256 G C 0.188 175.035 174.900 -0.088 0.000 0.977 256 G CA -0.128 44.925 45.100 -0.079 0.000 0.641 256 G HN 0.207 nan 8.290 nan 0.000 0.533 257 L N 0.886 122.053 121.223 -0.093 0.000 2.483 257 L HA 0.203 4.543 4.340 -0.000 0.000 0.276 257 L C 0.709 177.491 176.870 -0.146 0.000 1.213 257 L CA -0.091 54.695 54.840 -0.090 0.000 0.843 257 L CB 0.415 42.426 42.059 -0.081 0.000 1.107 257 L HN 0.063 nan 8.230 nan 0.000 0.487 258 D N 2.816 123.157 120.400 -0.099 0.000 2.619 258 D HA 0.207 4.847 4.640 -0.000 0.000 0.224 258 D C -0.762 175.436 176.300 -0.170 0.000 1.133 258 D CA -0.013 53.920 54.000 -0.112 0.000 1.017 258 D CB 0.180 41.037 40.800 0.095 0.000 1.077 258 D HN 0.053 nan 8.370 nan 0.000 0.503 259 V N 2.170 121.847 119.914 -0.395 0.000 2.581 259 V HA 0.543 4.663 4.120 -0.000 0.000 0.303 259 V C -0.441 175.285 176.094 -0.612 0.000 1.041 259 V CA -0.761 61.353 62.300 -0.310 0.000 0.907 259 V CB 1.781 33.486 31.823 -0.196 0.000 0.994 259 V HN 0.256 nan 8.190 nan 0.000 0.442 260 W N 1.210 122.460 121.300 -0.084 0.000 2.950 260 W HA 0.780 5.439 4.660 -0.000 0.000 0.340 260 W C 0.216 176.543 176.519 -0.320 0.000 1.139 260 W CA -0.665 56.586 57.345 -0.157 0.000 1.188 260 W CB 2.119 31.524 29.460 -0.092 0.000 1.426 260 W HN 0.787 nan 8.180 nan 0.000 0.531 261 G N 0.937 109.680 108.800 -0.095 0.000 2.524 261 G HA2 0.618 4.578 3.960 -0.000 0.000 0.310 261 G HA3 0.618 4.578 3.960 -0.000 0.000 0.310 261 G C -1.789 172.950 174.900 -0.268 0.000 1.279 261 G CA -0.555 44.407 45.100 -0.229 0.000 0.974 261 G HN 0.405 nan 8.290 nan 0.000 0.484 262 E N 0.234 120.252 120.200 -0.304 0.000 2.343 262 E HA 0.714 5.064 4.350 -0.000 0.000 0.270 262 E C -0.999 175.561 176.600 -0.067 0.000 0.895 262 E CA -0.492 55.812 56.400 -0.159 0.000 0.767 262 E CB 2.395 32.016 29.700 -0.132 0.000 1.248 262 E HN 0.386 nan 8.360 nan 0.000 0.440 263 T N 0.570 115.118 114.554 -0.010 0.000 2.804 263 T HA 0.567 4.917 4.350 -0.000 0.000 0.290 263 T C -1.040 173.705 174.700 0.074 0.000 1.099 263 T CA -0.429 61.682 62.100 0.018 0.000 1.011 263 T CB 1.199 70.029 68.868 -0.063 0.000 1.291 263 T HN 0.638 nan 8.240 nan 0.000 0.523 264 C N 2.123 121.510 119.300 0.145 0.000 2.797 264 C HA 0.481 4.940 4.460 -0.000 0.000 0.306 264 C C -1.335 173.632 174.990 -0.038 0.000 1.207 264 C CA -1.569 57.480 59.018 0.052 0.000 1.507 264 C CB 2.010 29.772 27.740 0.036 0.000 2.028 264 C HN 0.645 nan 8.230 nan 0.000 0.475 265 P HA -0.295 nan 4.420 nan 0.000 0.217 265 P C 1.527 178.797 177.300 -0.050 0.000 1.162 265 P CA 2.245 65.283 63.100 -0.103 0.000 0.901 265 P CB 0.041 31.662 31.700 -0.133 0.000 0.793 266 Q N -0.170 119.590 119.800 -0.066 0.000 2.217 266 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 266 Q C 1.934 177.807 176.000 -0.211 0.000 0.988 266 Q CA 1.852 57.569 55.803 -0.143 0.000 0.878 266 Q CB -1.675 26.627 28.738 -0.725 0.000 0.909 266 Q HN 0.425 nan 8.270 nan 0.000 0.424 267 Y N -0.460 119.822 120.300 -0.031 0.000 2.517 267 Y HA 0.057 4.607 4.550 -0.000 0.000 0.281 267 Y C 1.966 177.818 175.900 -0.080 0.000 1.125 267 Y CA -0.079 57.996 58.100 -0.042 0.000 1.283 267 Y CB 0.332 38.741 38.460 -0.086 0.000 1.042 267 Y HN 0.044 nan 8.280 nan 0.000 0.547 268 L N -1.522 119.694 121.223 -0.012 0.000 2.249 268 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 268 L C 1.705 178.631 176.870 0.094 0.000 1.090 268 L CA 1.023 55.773 54.840 -0.151 0.000 0.802 268 L CB -0.030 41.770 42.059 -0.431 0.000 0.947 268 L HN 0.013 nan 8.230 nan 0.000 0.453 269 V N -1.706 118.273 119.914 0.108 0.000 3.013 269 V HA 0.151 4.271 4.120 -0.000 0.000 0.238 269 V C 0.965 177.128 176.094 0.114 0.000 1.161 269 V CA 0.026 62.425 62.300 0.164 0.000 1.170 269 V CB 0.458 32.360 31.823 0.133 0.000 0.917 269 V HN 0.001 nan 8.190 nan 0.000 0.478 270 L N 1.052 122.298 121.223 0.039 0.000 2.469 270 L HA 0.551 4.891 4.340 -0.000 0.000 0.253 270 L C -0.363 176.465 176.870 -0.071 0.000 1.143 270 L CA -0.199 54.505 54.840 -0.226 0.000 0.804 270 L CB 0.928 42.751 42.059 -0.393 0.000 1.214 270 L HN 0.487 nan 8.230 nan 0.000 0.476 271 D N -2.846 117.500 120.400 -0.090 0.000 2.643 271 D HA 0.092 4.732 4.640 -0.000 0.000 0.283 271 D C 0.151 176.511 176.300 0.099 0.000 1.242 271 D CA -0.771 53.276 54.000 0.080 0.000 0.863 271 D CB 1.071 41.957 40.800 0.143 0.000 1.382 271 D HN 0.487 nan 8.370 nan 0.000 0.444 272 Q N -0.002 119.843 119.800 0.076 0.000 2.173 272 Q HA -0.277 4.063 4.340 -0.000 0.000 0.208 272 Q C 1.673 177.687 176.000 0.023 0.000 0.989 272 Q CA 2.840 58.663 55.803 0.033 0.000 0.872 272 Q CB -0.252 28.495 28.738 0.015 0.000 0.909 272 Q HN 0.592 nan 8.270 nan 0.000 0.420 273 S N -0.612 115.121 115.700 0.055 0.000 2.374 273 S HA -0.232 4.237 4.470 -0.000 0.000 0.227 273 S C 1.625 176.177 174.600 -0.080 0.000 1.037 273 S CA 1.419 59.608 58.200 -0.017 0.000 1.024 273 S CB -1.026 62.152 63.200 -0.037 0.000 0.861 273 S HN 0.541 nan 8.310 nan 0.000 0.456 274 Y N 1.949 122.087 120.300 -0.270 0.000 2.446 274 Y HA 0.017 4.567 4.550 -0.000 0.000 0.287 274 Y C 2.079 177.786 175.900 -0.322 0.000 1.159 274 Y CA 0.576 58.382 58.100 -0.490 0.000 1.297 274 Y CB -0.623 37.183 38.460 -1.090 0.000 0.974 274 Y HN 0.277 nan 8.280 nan 0.000 0.557 275 L N -0.735 120.451 121.223 -0.063 0.000 2.492 275 L HA -0.080 4.260 4.340 -0.000 0.000 0.223 275 L C 1.676 178.504 176.870 -0.070 0.000 1.132 275 L CA 0.853 55.659 54.840 -0.056 0.000 0.850 275 L CB -0.158 41.851 42.059 -0.083 0.000 0.966 275 L HN 0.281 nan 8.230 nan 0.000 0.454 276 E N 0.251 120.403 120.200 -0.080 0.000 2.307 276 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 276 E C 0.806 177.371 176.600 -0.058 0.000 0.975 276 E CA -0.103 56.254 56.400 -0.072 0.000 0.878 276 E CB 0.293 29.946 29.700 -0.080 0.000 0.845 276 E HN 0.242 nan 8.360 nan 0.000 0.488 277 K N 2.743 123.091 120.400 -0.088 0.000 2.245 277 K HA 0.082 4.402 4.320 -0.000 0.000 0.281 277 K C -2.555 174.023 176.600 -0.036 0.000 1.079 277 K CA -0.558 55.677 56.287 -0.086 0.000 1.000 277 K CB 0.318 32.715 32.500 -0.173 0.000 1.038 277 K HN -0.106 nan 8.250 nan 0.000 0.430 278 P HA 0.149 nan 4.420 nan 0.000 0.383 278 P C -1.187 176.157 177.300 0.075 0.000 1.216 278 P CA -0.564 62.550 63.100 0.023 0.000 1.570 278 P CB 1.250 32.954 31.700 0.007 0.000 3.134 279 N N -0.492 118.269 118.700 0.101 0.000 2.453 279 N HA -0.293 4.447 4.740 -0.000 0.000 0.177 279 N C 0.325 176.001 175.510 0.277 0.000 0.529 279 N CA 2.254 55.399 53.050 0.159 0.000 1.553 279 N CB -1.593 36.988 38.487 0.156 0.000 1.408 279 N HN 0.600 nan 8.380 nan 0.000 0.400 280 F N 2.005 122.030 119.950 0.125 0.000 2.915 280 F HA 0.321 4.848 4.527 -0.000 0.000 0.347 280 F C 1.482 177.413 175.800 0.218 0.000 1.104 280 F CA -0.107 57.996 58.000 0.172 0.000 1.126 280 F CB 0.270 39.377 39.000 0.178 0.000 1.145 280 F HN 0.098 nan 8.300 nan 0.000 0.541 281 E N 0.604 120.854 120.200 0.083 0.000 2.233 281 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 281 E C 2.311 178.721 176.600 -0.316 0.000 1.004 281 E CA 1.263 57.504 56.400 -0.265 0.000 0.819 281 E CB -0.558 29.056 29.700 -0.144 0.000 0.738 281 E HN 0.588 nan 8.360 nan 0.000 0.478 282 G N 1.522 110.210 108.800 -0.188 0.000 2.513 282 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.219 282 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.219 282 G C 1.745 176.463 174.900 -0.303 0.000 1.160 282 G CA 1.686 46.701 45.100 -0.141 0.000 0.767 282 G HN 0.425 nan 8.290 nan 0.000 0.571 283 A N 0.587 123.061 122.820 -0.578 0.000 2.093 283 A HA -0.140 4.180 4.320 -0.000 0.000 0.222 283 A C 2.253 179.547 177.584 -0.482 0.000 1.162 283 A CA 2.127 53.813 52.037 -0.586 0.000 0.655 283 A CB -0.393 18.021 19.000 -0.975 0.000 0.805 283 A HN 0.470 nan 8.150 nan 0.000 0.461 284 K N -1.828 118.145 120.400 -0.712 0.000 2.280 284 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 284 K C 0.463 176.496 176.600 -0.944 0.000 1.047 284 K CA 1.362 57.019 56.287 -1.049 0.000 0.942 284 K CB -0.181 31.350 32.500 -1.614 0.000 0.739 284 K HN 0.732 nan 8.250 nan 0.000 0.457 285 Y N -0.184 119.777 120.300 -0.566 0.000 2.555 285 Y HA 0.137 4.687 4.550 -0.000 0.000 0.259 285 Y C 0.163 175.167 175.900 -1.493 0.000 1.179 285 Y CA -0.550 56.871 58.100 -1.132 0.000 1.230 285 Y CB 0.489 38.535 38.460 -0.690 0.000 1.146 285 Y HN -0.305 nan 8.280 nan 0.000 0.526 286 V N 2.493 121.954 119.914 -0.756 0.000 2.405 286 V HA 0.135 4.255 4.120 -0.000 0.000 0.264 286 V C -0.641 175.266 176.094 -0.313 0.000 1.048 286 V CA -0.311 61.647 62.300 -0.570 0.000 0.966 286 V CB -0.979 30.579 31.823 -0.443 0.000 1.015 286 V HN 0.456 nan 8.190 nan 0.000 0.477 287 W N 2.855 124.233 121.300 0.131 0.000 3.059 287 W HA 0.745 5.405 4.660 -0.000 0.000 0.329 287 W C -1.001 175.763 176.519 0.408 0.000 1.246 287 W CA -1.224 56.252 57.345 0.218 0.000 1.190 287 W CB 0.623 30.171 29.460 0.146 0.000 1.423 287 W HN 0.203 nan 8.180 nan 0.000 0.571 288 S N 1.937 118.042 115.700 0.674 0.000 2.482 288 S HA 0.706 5.176 4.470 -0.000 0.000 0.303 288 S C -2.583 172.119 174.600 0.170 0.000 1.091 288 S CA -1.184 57.302 58.200 0.476 0.000 1.057 288 S CB 1.843 65.311 63.200 0.448 0.000 1.031 288 S HN 0.172 nan 8.310 nan 0.000 0.485 289 P HA 0.241 nan 4.420 nan 0.000 0.272 289 P C -2.500 174.952 177.300 0.254 0.000 1.230 289 P CA -1.212 61.871 63.100 -0.028 0.000 0.788 289 P CB -0.211 31.326 31.700 -0.271 0.000 0.949 290 P HA 0.074 nan 4.420 nan 0.000 0.272 290 P C -0.328 177.134 177.300 0.269 0.000 1.230 290 P CA 0.027 63.243 63.100 0.193 0.000 0.788 290 P CB 0.596 32.247 31.700 -0.081 0.000 0.949 291 L N 2.199 123.601 121.223 0.298 0.000 2.485 291 L HA 0.079 4.419 4.340 -0.000 0.000 0.275 291 L C 1.637 178.553 176.870 0.078 0.000 1.207 291 L CA 0.127 55.135 54.840 0.280 0.000 0.855 291 L CB -0.167 41.998 42.059 0.176 0.000 1.114 291 L HN 0.350 nan 8.230 nan 0.000 0.485 292 R N 1.947 122.453 120.500 0.011 0.000 2.730 292 R HA 0.404 4.744 4.340 -0.000 0.000 0.228 292 R C -0.429 175.855 176.300 -0.028 0.000 1.312 292 R CA -0.944 55.075 56.100 -0.133 0.000 1.093 292 R CB 0.234 30.240 30.300 -0.490 0.000 1.583 292 R HN 0.503 nan 8.270 nan 0.000 0.535 293 E N 1.348 121.557 120.200 0.015 0.000 2.360 293 E HA -0.019 4.331 4.350 -0.000 0.000 0.269 293 E C 0.657 177.326 176.600 0.114 0.000 1.022 293 E CA -0.144 56.341 56.400 0.141 0.000 0.887 293 E CB 0.788 30.686 29.700 0.329 0.000 0.990 293 E HN 0.273 nan 8.360 nan 0.000 0.426 294 K N 4.155 124.656 120.400 0.168 0.000 2.184 294 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 294 K C 1.624 178.344 176.600 0.200 0.000 1.048 294 K CA 2.308 58.702 56.287 0.178 0.000 0.931 294 K CB -0.258 32.356 32.500 0.190 0.000 0.718 294 K HN 0.825 nan 8.250 nan 0.000 0.465 295 W N -0.470 120.893 121.300 0.105 0.000 2.421 295 W HA -0.168 4.492 4.660 -0.000 0.000 0.270 295 W C 1.060 177.577 176.519 -0.002 0.000 1.233 295 W CA 1.005 58.368 57.345 0.030 0.000 1.226 295 W CB -0.871 28.561 29.460 -0.047 0.000 1.121 295 W HN 0.180 nan 8.180 nan 0.000 0.579 296 H N 1.222 119.916 119.070 -0.626 0.000 2.457 296 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 296 H C 2.148 177.370 175.328 -0.178 0.000 1.064 296 H CA 1.819 57.477 56.048 -0.650 0.000 1.330 296 H CB -0.177 29.151 29.762 -0.723 0.000 1.395 296 H HN 0.382 nan 8.280 nan 0.000 0.541 297 Q N 0.746 120.588 119.800 0.071 0.000 2.152 297 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 297 Q C 2.075 178.239 176.000 0.272 0.000 0.985 297 Q CA 1.340 57.235 55.803 0.153 0.000 0.863 297 Q CB 0.026 28.907 28.738 0.239 0.000 0.904 297 Q HN 0.587 nan 8.270 nan 0.000 0.422 298 E N -0.232 120.129 120.200 0.268 0.000 2.023 298 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 298 E C 2.108 178.848 176.600 0.234 0.000 1.003 298 E CA 1.601 58.172 56.400 0.286 0.000 0.809 298 E CB -0.030 29.803 29.700 0.222 0.000 0.755 298 E HN 0.142 nan 8.360 nan 0.000 0.449 299 V N 1.819 121.828 119.914 0.158 0.000 2.278 299 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 299 V C 2.414 178.553 176.094 0.075 0.000 1.062 299 V CA 1.719 64.084 62.300 0.109 0.000 1.038 299 V CB -0.665 31.197 31.823 0.066 0.000 0.646 299 V HN 0.299 nan 8.190 nan 0.000 0.447 300 L N -1.918 119.324 121.223 0.031 0.000 1.994 300 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 300 L C 2.510 179.361 176.870 -0.031 0.000 1.071 300 L CA 2.307 57.110 54.840 -0.062 0.000 0.745 300 L CB -0.627 41.328 42.059 -0.173 0.000 0.892 300 L HN 0.375 nan 8.230 nan 0.000 0.431 301 W N 0.607 121.925 121.300 0.030 0.000 2.318 301 W HA -0.231 4.429 4.660 -0.000 0.000 0.313 301 W C 2.686 179.218 176.519 0.022 0.000 1.221 301 W CA 1.034 58.395 57.345 0.027 0.000 1.266 301 W CB -0.459 29.018 29.460 0.028 0.000 1.150 301 W HN 0.205 nan 8.180 nan 0.000 0.496 302 N N 0.134 118.990 118.700 0.259 0.000 2.104 302 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 302 N C 1.718 177.290 175.510 0.104 0.000 1.024 302 N CA 1.833 54.976 53.050 0.155 0.000 0.853 302 N CB -0.948 37.610 38.487 0.118 0.000 1.008 302 N HN 0.159 nan 8.380 nan 0.000 0.424 303 A N 1.217 124.082 122.820 0.075 0.000 1.908 303 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 303 A C 2.249 179.853 177.584 0.034 0.000 1.181 303 A CA 1.038 53.094 52.037 0.032 0.000 0.627 303 A CB -0.627 18.372 19.000 -0.001 0.000 0.818 303 A HN 0.138 nan 8.150 nan 0.000 0.445 304 L N -0.277 120.976 121.223 0.049 0.000 2.056 304 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 304 L C 2.377 179.305 176.870 0.096 0.000 1.078 304 L CA 2.407 57.281 54.840 0.056 0.000 0.749 304 L CB -0.643 41.445 42.059 0.048 0.000 0.901 304 L HN 0.534 nan 8.230 nan 0.000 0.433 305 K N -0.789 119.690 120.400 0.132 0.000 2.002 305 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 305 K C 1.813 178.455 176.600 0.069 0.000 1.048 305 K CA 1.694 58.048 56.287 0.112 0.000 0.930 305 K CB -0.112 32.458 32.500 0.117 0.000 0.714 305 K HN 0.305 nan 8.250 nan 0.000 0.438 306 N N -0.937 117.797 118.700 0.056 0.000 2.412 306 N HA 0.001 4.741 4.740 -0.000 0.000 0.184 306 N C 0.548 176.071 175.510 0.021 0.000 1.101 306 N CA 1.066 54.136 53.050 0.034 0.000 0.881 306 N CB 1.048 39.551 38.487 0.027 0.000 0.969 306 N HN 0.546 nan 8.380 nan 0.000 0.459 307 G N 0.904 109.719 108.800 0.025 0.000 2.179 307 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 307 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 307 G C 0.998 175.892 174.900 -0.010 0.000 0.990 307 G CA 0.066 45.175 45.100 0.014 0.000 0.646 307 G HN 0.252 nan 8.290 nan 0.000 0.517 308 Q N -0.137 119.653 119.800 -0.017 0.000 2.124 308 Q HA 0.113 4.453 4.340 -0.000 0.000 0.202 308 Q C 1.496 177.469 176.000 -0.045 0.000 0.977 308 Q CA 1.069 56.846 55.803 -0.043 0.000 0.850 308 Q CB -0.035 28.683 28.738 -0.032 0.000 0.901 308 Q HN 0.647 nan 8.270 nan 0.000 0.429 309 L N 2.017 123.226 121.223 -0.023 0.000 2.329 309 L HA 0.233 4.573 4.340 -0.000 0.000 0.279 309 L C 0.773 177.653 176.870 0.017 0.000 1.014 309 L CA -0.485 54.340 54.840 -0.026 0.000 0.814 309 L CB 1.682 43.710 42.059 -0.052 0.000 1.257 309 L HN 0.049 nan 8.230 nan 0.000 0.424 310 Q N 0.601 120.432 119.800 0.053 0.000 2.140 310 Q HA 0.186 4.526 4.340 -0.000 0.000 0.227 310 Q C -0.068 175.973 176.000 0.068 0.000 0.798 310 Q CA -0.098 55.762 55.803 0.094 0.000 0.987 310 Q CB 1.217 30.088 28.738 0.221 0.000 1.161 310 Q HN 0.688 nan 8.270 nan 0.000 0.480 311 T N -1.477 113.105 114.554 0.047 0.000 2.900 311 T HA 0.665 5.015 4.350 -0.000 0.000 0.303 311 T C -1.219 173.507 174.700 0.044 0.000 1.142 311 T CA -0.851 61.291 62.100 0.069 0.000 1.007 311 T CB 2.023 71.005 68.868 0.191 0.000 1.156 311 T HN 0.082 nan 8.240 nan 0.000 0.490 312 L N 1.990 123.232 121.223 0.032 0.000 2.325 312 L HA 0.841 5.181 4.340 -0.000 0.000 0.281 312 L C 0.131 177.034 176.870 0.054 0.000 1.004 312 L CA 0.097 54.946 54.840 0.015 0.000 0.823 312 L CB 1.146 43.184 42.059 -0.035 0.000 1.236 312 L HN 1.147 nan 8.230 nan 0.000 0.415 313 G N 1.436 110.292 108.800 0.094 0.000 2.568 313 G HA2 0.460 4.420 3.960 -0.000 0.000 0.313 313 G HA3 0.460 4.420 3.960 -0.000 0.000 0.313 313 G C 0.240 175.167 174.900 0.045 0.000 1.227 313 G CA 0.124 45.298 45.100 0.124 0.000 0.979 313 G HN 0.705 nan 8.290 nan 0.000 0.486 314 S N -0.889 114.819 115.700 0.014 0.000 2.427 314 S HA 0.057 4.527 4.470 -0.000 0.000 0.224 314 S C 0.980 175.467 174.600 -0.189 0.000 1.047 314 S CA 1.289 59.449 58.200 -0.067 0.000 0.953 314 S CB -0.023 63.153 63.200 -0.041 0.000 0.824 314 S HN 0.820 nan 8.310 nan 0.000 0.502 315 D N 0.637 120.870 120.400 -0.279 0.000 2.835 315 D HA -0.163 4.477 4.640 -0.000 0.000 0.230 315 D C -0.217 176.000 176.300 -0.139 0.000 1.130 315 D CA 0.894 54.572 54.000 -0.536 0.000 0.738 315 D CB -1.772 38.682 40.800 -0.577 0.000 1.090 315 D HN 0.679 nan 8.370 nan 0.000 0.433 316 Q N 0.535 120.292 119.800 -0.070 0.000 2.262 316 Q HA 0.226 4.566 4.340 -0.000 0.000 0.298 316 Q C -0.732 175.285 176.000 0.029 0.000 1.083 316 Q CA 0.482 56.254 55.803 -0.050 0.000 0.962 316 Q CB 0.504 29.207 28.738 -0.058 0.000 1.104 316 Q HN 0.395 nan 8.270 nan 0.000 0.376 317 C N 5.199 124.472 119.300 -0.044 0.000 3.238 317 C HA 0.404 4.864 4.460 -0.000 0.000 0.308 317 C C -0.621 174.144 174.990 -0.375 0.000 0.971 317 C CA 0.099 59.046 59.018 -0.118 0.000 1.207 317 C CB -0.726 27.051 27.740 0.062 0.000 1.696 317 C HN 0.951 nan 8.230 nan 0.000 0.609 318 S N 2.015 117.454 115.700 -0.434 0.000 2.564 318 S HA 0.804 5.274 4.470 -0.000 0.000 0.278 318 S C -0.920 173.272 174.600 -0.680 0.000 1.333 318 S CA 0.046 57.999 58.200 -0.412 0.000 1.048 318 S CB 0.672 63.711 63.200 -0.269 0.000 0.900 318 S HN 0.541 nan 8.310 nan 0.000 0.505 319 F N 0.016 120.035 119.950 0.116 0.000 2.630 319 F HA 0.293 4.820 4.527 -0.000 0.000 0.325 319 F C -0.278 175.674 175.800 0.253 0.000 1.184 319 F CA -1.139 56.954 58.000 0.154 0.000 1.011 319 F CB 1.365 40.457 39.000 0.153 0.000 1.268 319 F HN 0.491 nan 8.300 nan 0.000 0.480 320 D N 2.868 123.492 120.400 0.373 0.000 2.493 320 D HA -0.090 4.550 4.640 -0.000 0.000 0.240 320 D C 1.110 177.633 176.300 0.371 0.000 1.142 320 D CA 0.418 54.627 54.000 0.349 0.000 0.872 320 D CB 0.564 41.493 40.800 0.215 0.000 1.173 320 D HN 0.484 nan 8.370 nan 0.000 0.467 321 F N 4.261 124.354 119.950 0.239 0.000 2.202 321 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 321 F C 1.686 177.532 175.800 0.076 0.000 1.082 321 F CA 1.379 59.388 58.000 0.016 0.000 1.313 321 F CB 0.087 38.956 39.000 -0.219 0.000 1.024 321 F HN 0.235 nan 8.300 nan 0.000 0.495 322 K N 0.018 120.417 120.400 -0.003 0.000 1.975 322 K HA -0.096 4.224 4.320 -0.000 0.000 0.224 322 K C 2.354 178.882 176.600 -0.120 0.000 1.038 322 K CA 1.464 57.680 56.287 -0.118 0.000 1.009 322 K CB -1.358 31.148 32.500 0.010 0.000 0.750 322 K HN 0.338 nan 8.250 nan 0.000 0.445 323 G N 0.553 109.339 108.800 -0.024 0.000 2.424 323 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.214 323 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.214 323 G C 1.480 176.370 174.900 -0.016 0.000 1.202 323 G CA 0.723 45.808 45.100 -0.025 0.000 0.793 323 G HN 0.284 nan 8.290 nan 0.000 0.534 324 Q N 0.171 119.999 119.800 0.047 0.000 1.921 324 Q HA -0.037 4.303 4.340 -0.000 0.000 0.208 324 Q C 2.721 178.717 176.000 -0.005 0.000 0.994 324 Q CA 1.526 57.354 55.803 0.042 0.000 0.857 324 Q CB -0.132 28.720 28.738 0.190 0.000 0.925 324 Q HN 0.089 nan 8.270 nan 0.000 0.421 325 K N 0.902 121.345 120.400 0.072 0.000 2.127 325 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 325 K C 1.751 178.464 176.600 0.187 0.000 1.047 325 K CA 1.446 57.795 56.287 0.104 0.000 0.927 325 K CB -0.289 32.340 32.500 0.215 0.000 0.716 325 K HN 0.403 nan 8.250 nan 0.000 0.450 326 E N 0.589 120.826 120.200 0.061 0.000 2.409 326 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 326 E C 1.872 178.411 176.600 -0.101 0.000 1.024 326 E CA 0.110 56.470 56.400 -0.066 0.000 0.861 326 E CB -0.132 29.413 29.700 -0.258 0.000 0.788 326 E HN 0.272 nan 8.360 nan 0.000 0.521 327 L N -0.009 121.183 121.223 -0.051 0.000 2.263 327 L HA -0.126 4.214 4.340 -0.000 0.000 0.216 327 L C 1.621 178.460 176.870 -0.052 0.000 1.111 327 L CA 0.874 55.672 54.840 -0.070 0.000 0.773 327 L CB -0.221 41.790 42.059 -0.080 0.000 0.906 327 L HN 0.077 nan 8.230 nan 0.000 0.439 328 G N -1.003 107.813 108.800 0.026 0.000 4.477 328 G HA2 0.217 4.177 3.960 -0.000 0.000 0.319 328 G HA3 0.217 4.177 3.960 -0.000 0.000 0.319 328 G C 0.763 175.741 174.900 0.130 0.000 1.391 328 G CA -0.490 44.651 45.100 0.068 0.000 1.261 328 G HN -0.101 nan 8.290 nan 0.000 0.556 329 R N 1.488 121.924 120.500 -0.106 0.000 2.072 329 R HA 0.009 4.349 4.340 -0.000 0.000 0.221 329 R C 2.389 178.662 176.300 -0.044 0.000 1.166 329 R CA 1.304 57.226 56.100 -0.296 0.000 0.917 329 R CB -1.004 29.073 30.300 -0.372 0.000 0.815 329 R HN 0.335 nan 8.270 nan 0.000 0.444 330 G N 0.639 109.410 108.800 -0.048 0.000 3.210 330 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.220 330 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.220 330 G C -0.485 174.434 174.900 0.032 0.000 1.200 330 G CA 0.013 45.117 45.100 0.007 0.000 0.834 330 G HN 0.183 nan 8.290 nan 0.000 0.524 331 D N -0.436 119.992 120.400 0.047 0.000 2.470 331 D HA 0.098 4.738 4.640 -0.000 0.000 0.233 331 D C 1.088 177.401 176.300 0.021 0.000 1.372 331 D CA -0.837 53.150 54.000 -0.022 0.000 0.994 331 D CB 0.496 41.234 40.800 -0.103 0.000 1.377 331 D HN 0.036 nan 8.370 nan 0.000 0.586 332 F N 1.877 121.894 119.950 0.113 0.000 2.171 332 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 332 F C 2.206 178.053 175.800 0.079 0.000 1.090 332 F CA 1.450 59.522 58.000 0.119 0.000 1.293 332 F CB -1.346 37.753 39.000 0.164 0.000 1.013 332 F HN 0.292 nan 8.300 nan 0.000 0.486 333 T N -1.908 112.212 114.554 -0.723 0.000 2.996 333 T HA -0.136 4.214 4.350 -0.000 0.000 0.271 333 T C 1.341 175.952 174.700 -0.148 0.000 1.126 333 T CA 1.325 63.197 62.100 -0.379 0.000 1.103 333 T CB -0.670 67.896 68.868 -0.503 0.000 0.870 333 T HN 0.531 nan 8.240 nan 0.000 0.528 334 K N 0.069 120.396 120.400 -0.122 0.000 2.358 334 K HA 0.369 4.689 4.320 -0.000 0.000 0.197 334 K C 0.024 176.587 176.600 -0.062 0.000 1.025 334 K CA -0.210 56.027 56.287 -0.084 0.000 1.104 334 K CB 0.343 32.793 32.500 -0.082 0.000 0.855 334 K HN 0.460 nan 8.250 nan 0.000 0.531 335 I N 4.414 124.967 120.570 -0.028 0.000 2.416 335 I HA 0.075 4.245 4.170 -0.000 0.000 0.288 335 I C -2.060 173.966 176.117 -0.152 0.000 1.051 335 I CA -2.208 59.065 61.300 -0.044 0.000 1.375 335 I CB 0.597 38.583 38.000 -0.023 0.000 1.407 335 I HN -0.153 nan 8.210 nan 0.000 0.516 336 P HA 0.040 nan 4.420 nan 0.000 0.271 336 P C -0.966 176.176 177.300 -0.263 0.000 1.233 336 P CA -0.020 62.767 63.100 -0.521 0.000 0.764 336 P CB 0.232 31.138 31.700 -1.325 0.000 0.825 337 N N 1.874 120.559 118.700 -0.024 0.000 2.497 337 N HA 0.433 5.173 4.740 -0.000 0.000 0.268 337 N C 0.447 176.233 175.510 0.460 0.000 1.171 337 N CA 0.175 53.344 53.050 0.197 0.000 0.948 337 N CB 0.407 39.042 38.487 0.248 0.000 1.069 337 N HN 0.637 nan 8.380 nan 0.000 0.460 338 G N -0.021 109.100 108.800 0.536 0.000 2.307 338 G HA2 0.352 4.311 3.960 -0.000 0.000 0.348 338 G HA3 0.352 4.311 3.960 -0.000 0.000 0.348 338 G C -1.111 174.109 174.900 0.533 0.000 1.603 338 G CA -0.758 44.642 45.100 0.501 0.000 0.961 338 G HN 0.725 nan 8.290 nan 0.000 0.686 339 G N 0.370 109.351 108.800 0.301 0.000 2.519 339 G HA2 0.868 4.828 3.960 -0.000 0.000 0.307 339 G HA3 0.868 4.828 3.960 -0.000 0.000 0.307 339 G C -2.809 172.041 174.900 -0.082 0.000 1.266 339 G CA -1.461 43.770 45.100 0.219 0.000 0.970 339 G HN 0.548 nan 8.290 nan 0.000 0.481 340 P HA 0.286 nan 4.420 nan 0.000 0.268 340 P C 0.068 177.261 177.300 -0.178 0.000 1.541 340 P CA -0.101 62.852 63.100 -0.245 0.000 1.093 340 P CB 0.502 31.961 31.700 -0.401 0.000 1.551 341 I N 2.434 122.930 120.570 -0.124 0.000 4.592 341 I HA 0.103 4.273 4.170 -0.000 0.000 0.329 341 I C 2.199 178.321 176.117 0.007 0.000 1.309 341 I CA -0.185 61.104 61.300 -0.018 0.000 1.243 341 I CB 0.220 38.168 38.000 -0.087 0.000 1.241 341 I HN 0.122 nan 8.210 nan 0.000 0.434 342 I N 1.728 122.274 120.570 -0.041 0.000 2.597 342 I HA -0.324 3.846 4.170 -0.000 0.000 0.262 342 I C 2.186 178.311 176.117 0.013 0.000 1.194 342 I CA 1.769 63.054 61.300 -0.025 0.000 1.437 342 I CB 0.175 38.142 38.000 -0.055 0.000 1.096 342 I HN 0.356 nan 8.210 nan 0.000 0.451 343 E N 0.004 120.224 120.200 0.034 0.000 2.166 343 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 343 E C 0.941 177.616 176.600 0.126 0.000 0.967 343 E CA 0.602 57.052 56.400 0.084 0.000 0.840 343 E CB 0.236 29.990 29.700 0.089 0.000 0.795 343 E HN 0.514 nan 8.360 nan 0.000 0.470 344 D N 0.350 120.833 120.400 0.138 0.000 2.349 344 D HA -0.011 4.629 4.640 -0.000 0.000 0.214 344 D C 1.557 177.887 176.300 0.049 0.000 1.063 344 D CA -0.086 53.986 54.000 0.120 0.000 0.847 344 D CB 0.171 41.055 40.800 0.140 0.000 0.933 344 D HN 0.127 nan 8.370 nan 0.000 0.513 345 R N 1.340 121.871 120.500 0.052 0.000 2.132 345 R HA -0.184 4.156 4.340 -0.000 0.000 0.233 345 R C 1.946 178.277 176.300 0.052 0.000 1.125 345 R CA 1.816 57.928 56.100 0.021 0.000 0.914 345 R CB -0.477 29.832 30.300 0.016 0.000 0.845 345 R HN -0.076 nan 8.270 nan 0.000 0.431 346 V N 0.766 120.726 119.914 0.078 0.000 2.231 346 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 346 V C 2.475 178.732 176.094 0.271 0.000 1.054 346 V CA 2.324 64.704 62.300 0.134 0.000 1.015 346 V CB -0.772 31.101 31.823 0.084 0.000 0.638 346 V HN 0.472 nan 8.190 nan 0.000 0.444 347 S N 0.028 115.882 115.700 0.257 0.000 2.368 347 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 347 S C 1.881 176.653 174.600 0.287 0.000 1.044 347 S CA 2.190 60.597 58.200 0.344 0.000 1.062 347 S CB -0.538 62.846 63.200 0.307 0.000 0.931 347 S HN 0.511 nan 8.310 nan 0.000 0.440 348 I N 0.772 121.422 120.570 0.134 0.000 2.194 348 I HA -0.217 3.953 4.170 -0.000 0.000 0.246 348 I C 2.362 178.574 176.117 0.159 0.000 1.093 348 I CA 1.039 62.370 61.300 0.053 0.000 1.355 348 I CB -0.365 37.530 38.000 -0.175 0.000 1.046 348 I HN 0.223 nan 8.210 nan 0.000 0.413 349 L N 0.245 121.600 121.223 0.221 0.000 2.056 349 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 349 L C 2.306 179.342 176.870 0.276 0.000 1.078 349 L CA 1.662 56.692 54.840 0.317 0.000 0.749 349 L CB -0.629 41.634 42.059 0.340 0.000 0.901 349 L HN 0.147 nan 8.230 nan 0.000 0.433 350 F N -0.827 119.140 119.950 0.029 0.000 2.075 350 F HA -0.219 4.307 4.527 -0.000 0.000 0.297 350 F C 2.735 178.470 175.800 -0.109 0.000 1.113 350 F CA 1.835 59.582 58.000 -0.422 0.000 1.218 350 F CB -0.735 37.907 39.000 -0.597 0.000 0.984 350 F HN 0.199 nan 8.300 nan 0.000 0.472 351 S N -0.029 115.709 115.700 0.064 0.000 2.349 351 S HA -0.188 4.282 4.470 -0.000 0.000 0.216 351 S C 2.063 176.612 174.600 -0.084 0.000 1.033 351 S CA 1.525 59.727 58.200 0.003 0.000 1.021 351 S CB -0.574 62.717 63.200 0.152 0.000 0.968 351 S HN 0.446 nan 8.310 nan 0.000 0.426 352 E N 0.586 120.802 120.200 0.026 0.000 2.153 352 E HA -0.005 4.345 4.350 -0.000 0.000 0.194 352 E C 1.839 178.324 176.600 -0.192 0.000 0.988 352 E CA 1.084 57.487 56.400 0.004 0.000 0.811 352 E CB -0.932 28.916 29.700 0.248 0.000 0.746 352 E HN 0.610 nan 8.360 nan 0.000 0.466 353 G N 0.506 109.313 108.800 0.011 0.000 2.632 353 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.220 353 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.220 353 G C 1.687 176.465 174.900 -0.203 0.000 1.439 353 G CA 0.575 45.647 45.100 -0.048 0.000 0.934 353 G HN 0.112 nan 8.290 nan 0.000 0.536 354 V N 1.491 121.259 119.914 -0.244 0.000 2.220 354 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 354 V C 2.849 178.698 176.094 -0.408 0.000 1.053 354 V CA 2.355 64.426 62.300 -0.382 0.000 1.019 354 V CB -0.521 30.866 31.823 -0.726 0.000 0.646 354 V HN 0.218 nan 8.190 nan 0.000 0.455 355 K N -0.019 120.022 120.400 -0.598 0.000 2.293 355 K HA -0.184 4.135 4.320 -0.000 0.000 0.204 355 K C 1.789 178.251 176.600 -0.230 0.000 1.045 355 K CA 1.424 57.479 56.287 -0.386 0.000 0.933 355 K CB -0.306 31.975 32.500 -0.365 0.000 0.736 355 K HN 0.535 nan 8.250 nan 0.000 0.463 356 K N -1.224 119.028 120.400 -0.246 0.000 2.358 356 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 356 K C 0.900 177.375 176.600 -0.209 0.000 1.030 356 K CA 0.491 56.649 56.287 -0.214 0.000 1.097 356 K CB 1.049 33.398 32.500 -0.252 0.000 0.862 356 K HN 0.266 nan 8.250 nan 0.000 0.534 357 G N 1.780 110.465 108.800 -0.191 0.000 2.278 357 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.210 357 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.210 357 G C 0.035 174.848 174.900 -0.144 0.000 1.000 357 G CA -0.508 44.504 45.100 -0.147 0.000 0.635 357 G HN 0.214 nan 8.290 nan 0.000 0.495 358 R N 0.304 120.670 120.500 -0.223 0.000 2.560 358 R HA 0.763 5.103 4.340 -0.000 0.000 0.270 358 R C 1.259 177.541 176.300 -0.029 0.000 1.074 358 R CA 0.021 56.028 56.100 -0.154 0.000 1.140 358 R CB 0.555 30.623 30.300 -0.386 0.000 1.073 358 R HN 0.571 nan 8.270 nan 0.000 0.527 359 I N -1.045 119.575 120.570 0.084 0.000 9.119 359 I HA -0.369 3.801 4.170 -0.000 0.000 0.126 359 I C -0.387 175.759 176.117 0.048 0.000 1.830 359 I CA 0.893 62.259 61.300 0.110 0.000 2.091 359 I CB -0.654 37.459 38.000 0.188 0.000 3.893 359 I HN 0.677 nan 8.210 nan 0.000 0.185 360 T N 2.578 117.173 114.554 0.069 0.000 2.916 360 T HA 0.430 4.780 4.350 -0.000 0.000 0.292 360 T C 0.441 175.188 174.700 0.079 0.000 1.064 360 T CA -0.602 61.529 62.100 0.050 0.000 1.011 360 T CB 1.989 70.891 68.868 0.055 0.000 1.152 360 T HN 0.530 nan 8.240 nan 0.000 0.510 361 L N 2.004 123.261 121.223 0.057 0.000 2.127 361 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 361 L C 1.878 178.838 176.870 0.151 0.000 1.089 361 L CA 1.904 56.793 54.840 0.081 0.000 0.757 361 L CB -0.646 41.434 42.059 0.035 0.000 0.899 361 L HN 0.523 nan 8.230 nan 0.000 0.434 362 N N -1.107 117.659 118.700 0.110 0.000 2.207 362 N HA -0.135 4.605 4.740 -0.000 0.000 0.182 362 N C 1.728 177.280 175.510 0.070 0.000 1.020 362 N CA 1.094 54.200 53.050 0.093 0.000 0.858 362 N CB -0.149 38.384 38.487 0.077 0.000 0.991 362 N HN 0.543 nan 8.380 nan 0.000 0.427 363 Q N 0.222 120.070 119.800 0.080 0.000 2.135 363 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 363 Q C 1.865 177.901 176.000 0.060 0.000 0.981 363 Q CA 1.089 56.932 55.803 0.066 0.000 0.856 363 Q CB -0.285 28.504 28.738 0.084 0.000 0.902 363 Q HN 0.309 nan 8.270 nan 0.000 0.425 364 F N 1.118 121.037 119.950 -0.052 0.000 2.043 364 F HA -0.271 4.256 4.527 -0.000 0.000 0.297 364 F C 2.051 177.747 175.800 -0.173 0.000 1.121 364 F CA 1.520 59.458 58.000 -0.104 0.000 1.199 364 F CB -0.609 38.309 39.000 -0.136 0.000 0.968 364 F HN -0.202 nan 8.300 nan 0.000 0.478 365 V N 0.589 120.259 119.914 -0.406 0.000 2.392 365 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 365 V C 2.109 178.018 176.094 -0.307 0.000 1.059 365 V CA 2.288 64.291 62.300 -0.495 0.000 1.051 365 V CB -0.924 30.797 31.823 -0.170 0.000 0.658 365 V HN 0.437 nan 8.190 nan 0.000 0.455 366 D N 0.182 120.484 120.400 -0.165 0.000 2.084 366 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 366 D C 1.941 178.169 176.300 -0.121 0.000 0.985 366 D CA 1.421 55.359 54.000 -0.103 0.000 0.826 366 D CB -0.178 40.596 40.800 -0.045 0.000 0.978 366 D HN 0.424 nan 8.370 nan 0.000 0.456 367 I N -0.245 120.249 120.570 -0.127 0.000 2.454 367 I HA -0.176 3.994 4.170 -0.000 0.000 0.254 367 I C 1.727 177.754 176.117 -0.150 0.000 1.156 367 I CA 0.546 61.787 61.300 -0.100 0.000 1.433 367 I CB 0.063 38.027 38.000 -0.059 0.000 1.082 367 I HN 0.032 nan 8.210 nan 0.000 0.432 368 V N -1.604 118.128 119.914 -0.303 0.000 3.565 368 V HA 0.049 4.169 4.120 -0.000 0.000 0.260 368 V C 1.618 177.571 176.094 -0.234 0.000 1.231 368 V CA 0.934 63.046 62.300 -0.313 0.000 1.100 368 V CB 0.678 32.157 31.823 -0.574 0.000 0.807 368 V HN 0.361 nan 8.190 nan 0.000 0.454 369 S N -1.017 114.557 115.700 -0.212 0.000 4.207 369 S HA -0.014 4.456 4.470 -0.000 0.000 0.177 369 S C 1.891 176.467 174.600 -0.040 0.000 0.981 369 S CA 0.913 59.041 58.200 -0.119 0.000 1.097 369 S CB 0.100 63.217 63.200 -0.138 0.000 1.525 369 S HN 0.382 nan 8.310 nan 0.000 0.686 370 T N 2.950 117.488 114.554 -0.026 0.000 2.544 370 T HA -0.188 4.162 4.350 -0.000 0.000 0.264 370 T C 1.886 176.561 174.700 -0.042 0.000 1.096 370 T CA 2.128 64.244 62.100 0.028 0.000 1.181 370 T CB -0.611 68.263 68.868 0.010 0.000 0.864 370 T HN 0.312 nan 8.240 nan 0.000 0.415 371 R N 0.964 121.416 120.500 -0.080 0.000 2.119 371 R HA -0.074 4.266 4.340 -0.000 0.000 0.246 371 R C 2.274 178.513 176.300 -0.101 0.000 1.146 371 R CA 1.515 57.548 56.100 -0.111 0.000 0.962 371 R CB -0.971 29.293 30.300 -0.060 0.000 0.863 371 R HN 0.564 nan 8.270 nan 0.000 0.442 372 I N -0.418 120.151 120.570 -0.001 0.000 2.163 372 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 372 I C 2.336 178.532 176.117 0.131 0.000 1.081 372 I CA 1.292 62.666 61.300 0.123 0.000 1.353 372 I CB -0.554 37.524 38.000 0.131 0.000 1.054 372 I HN 0.301 nan 8.210 nan 0.000 0.407 373 A N 1.045 123.914 122.820 0.081 0.000 1.917 373 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 373 A C 2.328 179.956 177.584 0.074 0.000 1.182 373 A CA 1.857 53.958 52.037 0.107 0.000 0.633 373 A CB -0.513 18.595 19.000 0.180 0.000 0.819 373 A HN 0.355 nan 8.150 nan 0.000 0.448 374 K N -0.546 119.828 120.400 -0.043 0.000 1.984 374 K HA -0.015 4.305 4.320 -0.000 0.000 0.209 374 K C 1.950 178.382 176.600 -0.280 0.000 1.046 374 K CA 1.356 57.528 56.287 -0.192 0.000 0.934 374 K CB -0.510 31.770 32.500 -0.367 0.000 0.717 374 K HN 0.468 nan 8.250 nan 0.000 0.438 375 L N 0.019 120.995 121.223 -0.411 0.000 2.127 375 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 375 L C 1.401 177.859 176.870 -0.686 0.000 1.089 375 L CA 1.225 55.658 54.840 -0.678 0.000 0.757 375 L CB -0.188 41.296 42.059 -0.958 0.000 0.899 375 L HN 0.100 nan 8.230 nan 0.000 0.434 376 F N -0.396 119.466 119.950 -0.146 0.000 2.684 376 F HA 0.327 4.854 4.527 0.000 0.000 0.298 376 F C 1.437 177.180 175.800 -0.096 0.000 1.120 376 F CA -0.120 57.808 58.000 -0.119 0.000 1.332 376 F CB -0.140 38.765 39.000 -0.158 0.000 0.986 376 F HN 0.038 nan 8.300 nan 0.000 0.524 377 G N 1.336 110.143 108.800 0.012 0.000 2.350 377 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.298 377 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.298 377 G C 0.427 175.326 174.900 -0.002 0.000 1.037 377 G CA 0.446 45.547 45.100 0.002 0.000 1.074 377 G HN 0.538 nan 8.290 nan 0.000 0.511 378 L N -1.597 119.640 121.223 0.024 0.000 3.086 378 L HA 0.431 4.771 4.340 -0.000 0.000 0.274 378 L C 0.816 177.692 176.870 0.010 0.000 1.184 378 L CA -0.551 54.279 54.840 -0.017 0.000 1.002 378 L CB 0.370 42.408 42.059 -0.036 0.000 1.383 378 L HN 0.314 nan 8.230 nan 0.000 0.582 379 F N 3.434 123.335 119.950 -0.080 0.000 2.385 379 F HA 0.384 4.911 4.527 -0.000 0.000 0.336 379 F C -1.473 174.285 175.800 -0.070 0.000 1.100 379 F CA -1.736 56.219 58.000 -0.074 0.000 1.116 379 F CB 1.156 40.108 39.000 -0.080 0.000 1.166 379 F HN -0.162 nan 8.300 nan 0.000 0.511 380 P HA 0.087 nan 4.420 nan 0.000 0.259 380 P C 0.470 177.430 177.300 -0.568 0.000 1.530 380 P CA 0.102 62.463 63.100 -1.232 0.000 1.022 380 P CB 0.267 31.234 31.700 -1.221 0.000 1.514 381 K N 0.752 120.962 120.400 -0.316 0.000 2.057 381 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 381 K C 0.614 177.095 176.600 -0.198 0.000 1.049 381 K CA 1.047 57.206 56.287 -0.212 0.000 0.931 381 K CB 0.203 32.608 32.500 -0.158 0.000 0.714 381 K HN -0.003 nan 8.250 nan 0.000 0.440 382 K N -1.794 118.497 120.400 -0.183 0.000 2.346 382 K HA 0.305 4.625 4.320 -0.000 0.000 0.238 382 K C 0.359 176.909 176.600 -0.084 0.000 1.039 382 K CA -0.092 56.124 56.287 -0.119 0.000 0.861 382 K CB 1.458 33.908 32.500 -0.083 0.000 1.278 382 K HN 0.257 nan 8.250 nan 0.000 0.460 383 G N -0.150 108.641 108.800 -0.015 0.000 2.176 383 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.253 383 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.253 383 G C 0.185 175.156 174.900 0.119 0.000 0.979 383 G CA 0.855 46.006 45.100 0.086 0.000 0.641 383 G HN 0.739 nan 8.290 nan 0.000 0.530 384 T N -0.924 113.639 114.554 0.015 0.000 2.786 384 T HA 0.562 4.912 4.350 -0.000 0.000 0.316 384 T C -1.316 173.388 174.700 0.006 0.000 1.503 384 T CA -0.445 61.686 62.100 0.052 0.000 1.019 384 T CB 1.161 70.095 68.868 0.110 0.000 1.415 384 T HN 0.578 nan 8.240 nan 0.000 0.496 385 I N 3.428 124.031 120.570 0.056 0.000 2.442 385 I HA 0.545 4.715 4.170 -0.000 0.000 0.279 385 I C -0.885 175.273 176.117 0.068 0.000 1.081 385 I CA -0.478 60.852 61.300 0.051 0.000 1.197 385 I CB 0.815 38.862 38.000 0.077 0.000 1.394 385 I HN 0.255 nan 8.210 nan 0.000 0.488 386 V N 4.663 124.586 119.914 0.015 0.000 3.120 386 V HA 0.267 4.387 4.120 -0.000 0.000 0.303 386 V C 0.074 176.158 176.094 -0.017 0.000 1.238 386 V CA -0.987 61.322 62.300 0.015 0.000 1.008 386 V CB 2.349 34.173 31.823 0.002 0.000 1.064 386 V HN 0.141 nan 8.190 nan 0.000 0.434 387 V N 3.146 123.058 119.914 -0.004 0.000 2.583 387 V HA 0.342 4.462 4.120 -0.000 0.000 0.302 387 V C 1.536 177.606 176.094 -0.040 0.000 1.033 387 V CA 2.176 64.467 62.300 -0.015 0.000 1.194 387 V CB -0.334 31.484 31.823 -0.007 0.000 0.879 387 V HN 1.551 nan 8.190 nan 0.000 0.482 388 G N 3.823 112.595 108.800 -0.047 0.000 2.313 388 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.215 388 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.215 388 G C 0.394 175.239 174.900 -0.093 0.000 1.023 388 G CA 0.057 45.118 45.100 -0.065 0.000 0.626 388 G HN 0.767 nan 8.290 nan 0.000 0.503 389 S N 1.755 117.389 115.700 -0.112 0.000 2.593 389 S HA 0.479 4.949 4.470 -0.000 0.000 0.269 389 S C -0.015 174.523 174.600 -0.103 0.000 1.334 389 S CA -0.384 57.729 58.200 -0.145 0.000 1.015 389 S CB 0.980 64.074 63.200 -0.177 0.000 0.912 389 S HN 0.383 nan 8.310 nan 0.000 0.541 390 D N 1.408 121.743 120.400 -0.109 0.000 2.449 390 D HA 0.241 4.881 4.640 -0.000 0.000 0.236 390 D C 0.250 176.511 176.300 -0.066 0.000 1.149 390 D CA 0.164 54.115 54.000 -0.081 0.000 0.878 390 D CB 0.355 41.103 40.800 -0.087 0.000 1.198 390 D HN 0.587 nan 8.370 nan 0.000 0.446 391 A N 2.122 124.911 122.820 -0.052 0.000 3.033 391 A HA 0.074 4.394 4.320 -0.000 0.000 0.250 391 A C -0.328 177.220 177.584 -0.059 0.000 1.633 391 A CA -0.309 51.694 52.037 -0.055 0.000 1.290 391 A CB -0.507 18.458 19.000 -0.059 0.000 1.048 391 A HN 0.276 nan 8.150 nan 0.000 0.648 392 D N 0.991 121.361 120.400 -0.049 0.000 2.422 392 D HA 0.500 5.140 4.640 -0.000 0.000 0.227 392 D C -0.145 176.136 176.300 -0.032 0.000 1.190 392 D CA 0.522 54.500 54.000 -0.038 0.000 0.905 392 D CB 0.504 41.284 40.800 -0.033 0.000 1.034 392 D HN 0.407 nan 8.370 nan 0.000 0.507 393 L N 1.061 122.253 121.223 -0.050 0.000 2.301 393 L HA 0.722 5.062 4.340 -0.000 0.000 0.264 393 L C -0.552 176.311 176.870 -0.011 0.000 1.016 393 L CA -1.284 53.537 54.840 -0.031 0.000 0.821 393 L CB 2.079 44.096 42.059 -0.069 0.000 1.346 393 L HN -0.098 nan 8.230 nan 0.000 0.429 394 V N 2.190 122.131 119.914 0.044 0.000 2.524 394 V HA 0.391 4.511 4.120 -0.000 0.000 0.297 394 V C -0.309 175.826 176.094 0.068 0.000 1.035 394 V CA -0.279 62.078 62.300 0.095 0.000 0.867 394 V CB 2.005 33.956 31.823 0.213 0.000 1.004 394 V HN 0.484 nan 8.190 nan 0.000 0.426 395 I N 5.526 126.131 120.570 0.058 0.000 2.291 395 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 395 I C -0.615 175.557 176.117 0.092 0.000 1.064 395 I CA -0.020 61.295 61.300 0.026 0.000 1.269 395 I CB 0.430 38.443 38.000 0.020 0.000 1.418 395 I HN 0.455 nan 8.210 nan 0.000 0.485 396 F N 5.977 125.832 119.950 -0.158 0.000 2.422 396 F HA 0.349 4.876 4.527 -0.000 0.000 0.333 396 F C 0.169 175.875 175.800 -0.156 0.000 1.095 396 F CA -0.584 57.337 58.000 -0.131 0.000 1.038 396 F CB 1.185 40.089 39.000 -0.159 0.000 1.156 396 F HN 0.345 nan 8.300 nan 0.000 0.483 397 D N 7.297 127.320 120.400 -0.628 0.000 2.427 397 D HA 0.257 4.897 4.640 -0.000 0.000 0.226 397 D C -2.019 173.943 176.300 -0.563 0.000 1.076 397 D CA -2.179 51.551 54.000 -0.449 0.000 0.849 397 D CB 2.049 42.653 40.800 -0.326 0.000 1.052 397 D HN 0.268 nan 8.370 nan 0.000 0.515 398 P HA 0.004 nan 4.420 nan 0.000 0.237 398 P C 0.329 177.726 177.300 0.162 0.000 1.178 398 P CA 0.396 63.553 63.100 0.097 0.000 0.766 398 P CB 0.735 32.646 31.700 0.351 0.000 0.876 399 N N -0.214 118.488 118.700 0.003 0.000 2.397 399 N HA 0.116 4.856 4.740 -0.000 0.000 0.190 399 N C 0.978 176.491 175.510 0.005 0.000 1.099 399 N CA -0.141 52.926 53.050 0.028 0.000 0.876 399 N CB 0.212 38.698 38.487 -0.002 0.000 1.143 399 N HN 0.186 nan 8.380 nan 0.000 0.468 400 I N 2.776 123.317 120.570 -0.048 0.000 2.845 400 I HA -0.130 4.040 4.170 -0.000 0.000 0.290 400 I C 0.394 176.511 176.117 0.002 0.000 1.202 400 I CA 0.872 62.148 61.300 -0.039 0.000 1.406 400 I CB 0.055 38.007 38.000 -0.081 0.000 1.383 400 I HN -0.093 nan 8.210 nan 0.000 0.549 401 E N 7.976 128.187 120.200 0.018 0.000 2.231 401 E HA 0.585 4.935 4.350 -0.000 0.000 0.277 401 E C -0.346 176.276 176.600 0.037 0.000 0.999 401 E CA -0.706 55.717 56.400 0.038 0.000 0.827 401 E CB 1.493 31.215 29.700 0.036 0.000 1.101 401 E HN 0.567 nan 8.360 nan 0.000 0.393 402 R N -0.449 120.082 120.500 0.051 0.000 2.829 402 R HA 0.648 4.988 4.340 -0.000 0.000 0.267 402 R C -1.569 174.771 176.300 0.066 0.000 1.051 402 R CA -0.874 55.258 56.100 0.053 0.000 0.927 402 R CB 0.852 31.185 30.300 0.055 0.000 1.292 402 R HN 0.229 nan 8.270 nan 0.000 0.445 403 V N 1.697 121.652 119.914 0.067 0.000 2.483 403 V HA 0.391 4.511 4.120 -0.000 0.000 0.297 403 V C 0.073 176.221 176.094 0.091 0.000 1.027 403 V CA -0.817 61.530 62.300 0.079 0.000 0.855 403 V CB 1.722 33.584 31.823 0.066 0.000 0.995 403 V HN 0.540 nan 8.190 nan 0.000 0.424 404 I N 3.964 124.607 120.570 0.122 0.000 2.587 404 I HA 0.287 4.457 4.170 -0.000 0.000 0.284 404 I C 0.538 176.727 176.117 0.121 0.000 1.134 404 I CA 0.958 62.346 61.300 0.148 0.000 1.410 404 I CB 0.906 39.038 38.000 0.220 0.000 1.392 404 I HN 0.671 nan 8.210 nan 0.000 0.545 405 S N 4.277 120.017 115.700 0.065 0.000 2.536 405 S HA 0.574 5.044 4.470 -0.000 0.000 0.271 405 S C 0.553 175.060 174.600 -0.155 0.000 1.134 405 S CA -0.232 57.963 58.200 -0.009 0.000 0.897 405 S CB 1.805 64.995 63.200 -0.016 0.000 1.094 405 S HN 0.678 nan 8.310 nan 0.000 0.473 406 A N 2.695 125.347 122.820 -0.280 0.000 2.125 406 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 406 A C 1.608 178.847 177.584 -0.575 0.000 1.156 406 A CA 1.808 53.363 52.037 -0.802 0.000 0.671 406 A CB -0.664 18.054 19.000 -0.469 0.000 0.794 406 A HN 0.864 nan 8.150 nan 0.000 0.459 407 E N -0.699 119.342 120.200 -0.265 0.000 2.418 407 E HA -0.054 4.296 4.350 -0.000 0.000 0.197 407 E C 1.409 177.905 176.600 -0.174 0.000 1.026 407 E CA 1.616 57.915 56.400 -0.168 0.000 0.862 407 E CB 0.001 29.648 29.700 -0.090 0.000 0.799 407 E HN 0.552 nan 8.360 nan 0.000 0.518 408 T N -1.632 112.804 114.554 -0.197 0.000 2.989 408 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 408 T C 0.325 174.875 174.700 -0.249 0.000 0.981 408 T CA 0.038 62.026 62.100 -0.186 0.000 0.980 408 T CB -0.295 68.524 68.868 -0.081 0.000 1.133 408 T HN 0.439 nan 8.240 nan 0.000 0.489 409 H N 1.166 120.134 119.070 -0.169 0.000 2.913 409 H HA 0.074 4.630 4.556 -0.000 0.000 0.365 409 H C -0.048 175.096 175.328 -0.307 0.000 1.155 409 H CA -0.021 55.956 56.048 -0.118 0.000 1.417 409 H CB 0.389 30.146 29.762 -0.009 0.000 1.386 409 H HN 0.183 nan 8.280 nan 0.000 0.614 410 H N 1.314 120.350 119.070 -0.057 0.000 2.505 410 H HA 0.256 4.812 4.556 -0.000 0.000 0.286 410 H C -0.054 175.156 175.328 -0.197 0.000 1.072 410 H CA -0.317 55.625 56.048 -0.176 0.000 1.141 410 H CB -0.087 29.445 29.762 -0.383 0.000 1.550 410 H HN 0.465 nan 8.280 nan 0.000 0.547 411 M N -0.114 119.295 119.600 -0.319 0.000 2.342 411 M HA 0.379 4.859 4.480 -0.000 0.000 0.332 411 M C 1.082 177.224 176.300 -0.263 0.000 1.166 411 M CA -0.574 54.499 55.300 -0.378 0.000 1.086 411 M CB 1.475 33.712 32.600 -0.605 0.000 1.541 411 M HN 0.206 nan 8.290 nan 0.000 0.462 412 A N 1.976 124.707 122.820 -0.148 0.000 2.261 412 A HA 0.270 4.590 4.320 -0.000 0.000 0.208 412 A C 0.415 177.992 177.584 -0.012 0.000 1.223 412 A CA -0.142 51.862 52.037 -0.054 0.000 0.833 412 A CB -1.043 17.931 19.000 -0.043 0.000 0.830 412 A HN 0.616 nan 8.150 nan 0.000 0.483 413 V N -1.153 118.730 119.914 -0.050 0.000 2.785 413 V HA 0.281 4.401 4.120 -0.000 0.000 0.300 413 V C 0.755 176.957 176.094 0.180 0.000 1.062 413 V CA -0.177 62.140 62.300 0.029 0.000 1.029 413 V CB 1.090 32.838 31.823 -0.125 0.000 1.024 413 V HN 0.543 nan 8.190 nan 0.000 0.477 414 D N 0.257 120.791 120.400 0.223 0.000 2.363 414 D HA 0.082 4.722 4.640 -0.000 0.000 0.226 414 D C 0.096 176.574 176.300 0.296 0.000 1.020 414 D CA 0.479 54.623 54.000 0.241 0.000 0.892 414 D CB -0.315 40.632 40.800 0.244 0.000 0.900 414 D HN 0.788 nan 8.370 nan 0.000 0.531 415 Y N -2.349 118.042 120.300 0.151 0.000 2.705 415 Y HA 0.588 5.138 4.550 -0.000 0.000 0.332 415 Y C -1.914 174.082 175.900 0.161 0.000 1.221 415 Y CA -1.763 56.380 58.100 0.072 0.000 1.059 415 Y CB 0.894 39.346 38.460 -0.013 0.000 1.298 415 Y HN -0.169 nan 8.280 nan 0.000 0.459 416 N N 0.684 119.377 118.700 -0.012 0.000 2.480 416 N HA 0.392 5.132 4.740 -0.000 0.000 0.289 416 N C 0.084 175.602 175.510 0.013 0.000 1.073 416 N CA 0.209 53.234 53.050 -0.043 0.000 0.885 416 N CB 2.333 40.907 38.487 0.145 0.000 1.421 416 N HN 1.102 nan 8.380 nan 0.000 0.503 417 A N 2.936 125.647 122.820 -0.181 0.000 2.139 417 A HA -0.086 4.234 4.320 -0.000 0.000 0.221 417 A C 0.439 177.879 177.584 -0.240 0.000 1.159 417 A CA 1.234 53.163 52.037 -0.181 0.000 0.662 417 A CB -0.546 18.240 19.000 -0.357 0.000 0.796 417 A HN 0.546 nan 8.150 nan 0.000 0.463 418 F N -0.218 119.867 119.950 0.224 0.000 2.850 418 F HA 0.339 4.866 4.527 -0.000 0.000 0.306 418 F C 0.436 176.341 175.800 0.175 0.000 1.162 418 F CA -1.269 56.844 58.000 0.189 0.000 1.327 418 F CB -0.269 38.811 39.000 0.133 0.000 0.953 418 F HN 0.078 nan 8.300 nan 0.000 0.507 419 E N 0.929 121.293 120.200 0.273 0.000 2.480 419 E HA 0.327 4.677 4.350 -0.000 0.000 0.258 419 E C 1.407 178.122 176.600 0.190 0.000 0.984 419 E CA 1.099 57.616 56.400 0.195 0.000 0.930 419 E CB 0.232 30.024 29.700 0.154 0.000 0.936 419 E HN 0.557 nan 8.360 nan 0.000 0.466 420 G N 3.879 112.768 108.800 0.147 0.000 2.225 420 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.254 420 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.254 420 G C 0.459 175.443 174.900 0.140 0.000 0.988 420 G CA 0.265 45.440 45.100 0.125 0.000 0.625 420 G HN 0.619 nan 8.290 nan 0.000 0.527 421 M N 1.623 121.334 119.600 0.185 0.000 2.238 421 M HA 0.361 4.841 4.480 -0.000 0.000 0.350 421 M C 0.721 177.098 176.300 0.130 0.000 1.321 421 M CA 0.069 55.475 55.300 0.176 0.000 1.097 421 M CB 0.425 33.162 32.600 0.229 0.000 1.713 421 M HN 0.197 nan 8.290 nan 0.000 0.455 422 K N 4.681 125.143 120.400 0.104 0.000 2.205 422 K HA 0.479 4.799 4.320 -0.000 0.000 0.279 422 K C -1.824 174.826 176.600 0.085 0.000 1.027 422 K CA -0.500 55.838 56.287 0.085 0.000 0.932 422 K CB 0.840 33.381 32.500 0.068 0.000 1.032 422 K HN 0.628 nan 8.250 nan 0.000 0.466 423 V N 2.821 122.789 119.914 0.090 0.000 2.841 423 V HA 0.268 4.388 4.120 -0.000 0.000 0.310 423 V C -0.633 175.533 176.094 0.119 0.000 1.090 423 V CA -0.875 61.488 62.300 0.106 0.000 0.930 423 V CB 2.333 34.229 31.823 0.121 0.000 1.014 423 V HN 0.870 nan 8.190 nan 0.000 0.425 424 T N 2.818 117.464 114.554 0.153 0.000 2.794 424 T HA 0.743 5.093 4.350 -0.000 0.000 0.280 424 T C 0.122 175.016 174.700 0.324 0.000 0.987 424 T CA 0.383 62.591 62.100 0.180 0.000 0.993 424 T CB 1.238 70.199 68.868 0.156 0.000 0.939 424 T HN 1.634 nan 8.240 nan 0.000 0.449 425 G N 2.165 111.068 108.800 0.172 0.000 2.788 425 G HA2 0.148 4.108 3.960 -0.000 0.000 0.686 425 G HA3 0.148 4.108 3.960 -0.000 0.000 0.686 425 G C -0.984 173.748 174.900 -0.280 0.000 1.147 425 G CA -0.591 44.474 45.100 -0.057 0.000 0.755 425 G HN 0.882 nan 8.290 nan 0.000 0.634 426 E N 2.018 121.657 120.200 -0.935 0.000 2.378 426 E HA 0.559 4.909 4.350 -0.000 0.000 0.283 426 E C -3.042 173.191 176.600 -0.612 0.000 0.979 426 E CA -1.950 54.151 56.400 -0.499 0.000 0.795 426 E CB 2.539 32.144 29.700 -0.158 0.000 1.221 426 E HN 0.357 nan 8.360 nan 0.000 0.428 427 P HA 0.038 nan 4.420 nan 0.000 0.271 427 P C -0.063 177.283 177.300 0.076 0.000 1.220 427 P CA -0.138 63.093 63.100 0.218 0.000 0.768 427 P CB 1.199 33.101 31.700 0.337 0.000 0.848 428 V N 1.457 121.401 119.914 0.050 0.000 2.690 428 V HA 0.086 4.206 4.120 -0.000 0.000 0.240 428 V C 0.652 176.791 176.094 0.075 0.000 1.078 428 V CA 1.215 63.538 62.300 0.039 0.000 1.102 428 V CB 0.072 31.893 31.823 -0.004 0.000 0.800 428 V HN 0.430 nan 8.190 nan 0.000 0.479 429 S N -0.176 115.579 115.700 0.091 0.000 2.557 429 S HA 0.678 5.148 4.470 -0.000 0.000 0.291 429 S C -0.903 173.736 174.600 0.065 0.000 1.116 429 S CA -0.315 57.963 58.200 0.130 0.000 0.992 429 S CB 2.358 65.709 63.200 0.252 0.000 1.028 429 S HN 0.020 nan 8.310 nan 0.000 0.484 430 V N 5.010 124.938 119.914 0.024 0.000 2.443 430 V HA 0.521 4.641 4.120 -0.000 0.000 0.293 430 V C -0.598 175.437 176.094 -0.098 0.000 1.021 430 V CA -0.716 61.566 62.300 -0.029 0.000 0.848 430 V CB 1.009 32.818 31.823 -0.025 0.000 0.998 430 V HN 0.779 nan 8.190 nan 0.000 0.424 431 L N 2.616 123.728 121.223 -0.184 0.000 2.365 431 L HA 0.840 5.180 4.340 -0.000 0.000 0.273 431 L C -0.422 176.382 176.870 -0.110 0.000 1.000 431 L CA -0.438 54.255 54.840 -0.245 0.000 0.819 431 L CB 1.807 43.519 42.059 -0.577 0.000 1.284 431 L HN 0.618 nan 8.230 nan 0.000 0.418 432 C N 4.149 123.439 119.300 -0.016 0.000 2.281 432 C HA 0.517 4.977 4.460 -0.000 0.000 0.325 432 C C 0.923 175.999 174.990 0.142 0.000 1.282 432 C CA -0.262 58.808 59.018 0.087 0.000 1.640 432 C CB -0.125 27.739 27.740 0.206 0.000 2.288 432 C HN 1.044 nan 8.230 nan 0.000 0.507 433 R N 4.507 125.038 120.500 0.051 0.000 3.205 433 R HA -0.175 4.165 4.340 -0.000 0.000 0.249 433 R C 1.243 177.577 176.300 0.056 0.000 0.937 433 R CA 0.840 56.967 56.100 0.046 0.000 0.641 433 R CB -1.681 28.649 30.300 0.050 0.000 1.114 433 R HN 1.813 nan 8.270 nan 0.000 0.451 434 G N -0.852 107.933 108.800 -0.026 0.000 2.302 434 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 434 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 434 G C -0.017 174.828 174.900 -0.091 0.000 0.995 434 G CA 0.899 45.962 45.100 -0.062 0.000 0.622 434 G HN 0.432 nan 8.290 nan 0.000 0.538 435 E N 0.069 120.232 120.200 -0.061 0.000 2.175 435 E HA 0.585 4.935 4.350 -0.000 0.000 0.278 435 E C 0.008 176.498 176.600 -0.184 0.000 0.969 435 E CA -0.980 55.350 56.400 -0.117 0.000 0.796 435 E CB 0.692 30.239 29.700 -0.254 0.000 1.104 435 E HN 0.157 nan 8.360 nan 0.000 0.395 436 F N 1.219 121.063 119.950 -0.176 0.000 2.518 436 F HA -0.037 4.490 4.527 -0.000 0.000 0.359 436 F C 1.661 177.312 175.800 -0.249 0.000 1.118 436 F CA 0.123 58.019 58.000 -0.174 0.000 1.287 436 F CB 0.452 39.354 39.000 -0.163 0.000 1.132 436 F HN 0.214 nan 8.300 nan 0.000 0.587 437 V N 2.074 121.965 119.914 -0.039 0.000 3.484 437 V HA 0.155 4.275 4.120 -0.000 0.000 0.252 437 V C -0.238 175.773 176.094 -0.139 0.000 1.282 437 V CA 0.253 62.492 62.300 -0.102 0.000 1.104 437 V CB 0.835 32.655 31.823 -0.005 0.000 0.868 437 V HN 0.460 nan 8.190 nan 0.000 0.457 438 V N 1.548 121.404 119.914 -0.096 0.000 2.559 438 V HA 0.437 4.557 4.120 -0.000 0.000 0.289 438 V C -0.602 175.504 176.094 0.020 0.000 1.036 438 V CA -0.638 61.553 62.300 -0.182 0.000 0.887 438 V CB 2.101 33.648 31.823 -0.459 0.000 1.022 438 V HN 0.346 nan 8.190 nan 0.000 0.442 439 R N 3.623 124.128 120.500 0.008 0.000 2.445 439 R HA 0.403 4.743 4.340 -0.000 0.000 0.308 439 R C -0.643 175.651 176.300 -0.010 0.000 0.961 439 R CA -0.354 55.754 56.100 0.012 0.000 0.862 439 R CB 1.040 31.154 30.300 -0.311 0.000 1.144 439 R HN 0.807 nan 8.270 nan 0.000 0.447 440 D N 4.646 125.061 120.400 0.024 0.000 2.735 440 D HA -0.177 4.463 4.640 -0.000 0.000 0.235 440 D C -0.499 175.850 176.300 0.082 0.000 1.175 440 D CA 1.260 55.278 54.000 0.030 0.000 0.683 440 D CB -0.388 40.406 40.800 -0.011 0.000 1.008 440 D HN 0.814 nan 8.370 nan 0.000 0.416 441 K N -1.773 118.704 120.400 0.127 0.000 2.960 441 K HA -0.274 4.046 4.320 -0.000 0.000 0.259 441 K C 0.303 177.136 176.600 0.388 0.000 1.025 441 K CA 1.007 57.448 56.287 0.256 0.000 0.756 441 K CB -0.505 32.117 32.500 0.204 0.000 1.221 441 K HN 0.373 nan 8.250 nan 0.000 0.483 442 Q N 0.160 120.124 119.800 0.274 0.000 2.323 442 Q HA 0.286 4.626 4.340 -0.000 0.000 0.271 442 Q C -1.162 174.979 176.000 0.235 0.000 1.048 442 Q CA -0.761 55.231 55.803 0.315 0.000 0.792 442 Q CB 1.336 30.169 28.738 0.158 0.000 1.280 442 Q HN 0.135 nan 8.270 nan 0.000 0.441 443 F N 3.695 123.809 119.950 0.274 0.000 2.538 443 F HA 0.141 4.668 4.527 -0.000 0.000 0.371 443 F C 0.784 176.602 175.800 0.030 0.000 1.087 443 F CA 0.332 58.380 58.000 0.079 0.000 1.250 443 F CB 0.559 39.736 39.000 0.295 0.000 1.110 443 F HN 0.270 nan 8.300 nan 0.000 0.570 444 V N 3.469 122.843 119.914 -0.900 0.000 3.415 444 V HA 0.511 4.631 4.120 -0.000 0.000 0.315 444 V C 0.622 176.200 176.094 -0.860 0.000 1.516 444 V CA 0.352 62.223 62.300 -0.715 0.000 1.122 444 V CB -0.358 31.256 31.823 -0.349 0.000 0.988 444 V HN 0.910 nan 8.190 nan 0.000 0.474 445 G N 0.826 108.725 108.800 -1.501 0.000 2.525 445 G HA2 0.632 4.592 3.960 -0.000 0.000 0.287 445 G HA3 0.632 4.592 3.960 -0.000 0.000 0.287 445 G C -0.668 174.037 174.900 -0.324 0.000 1.350 445 G CA -0.791 43.907 45.100 -0.670 0.000 1.039 445 G HN 0.441 nan 8.290 nan 0.000 0.513 446 K N 1.208 121.642 120.400 0.056 0.000 2.581 446 K HA 0.285 4.605 4.320 -0.000 0.000 0.249 446 K C -2.812 173.939 176.600 0.253 0.000 0.966 446 K CA -1.592 54.796 56.287 0.168 0.000 0.811 446 K CB 2.993 35.538 32.500 0.076 0.000 1.223 446 K HN 0.290 nan 8.250 nan 0.000 0.438 447 P HA -0.082 nan 4.420 nan 0.000 0.261 447 P C 0.568 177.972 177.300 0.174 0.000 1.183 447 P CA 1.016 64.235 63.100 0.199 0.000 0.761 447 P CB 0.776 32.564 31.700 0.147 0.000 0.785 448 G N 2.864 111.772 108.800 0.180 0.000 2.253 448 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.209 448 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.209 448 G C 0.707 175.719 174.900 0.187 0.000 0.997 448 G CA 0.171 45.366 45.100 0.158 0.000 0.640 448 G HN 0.495 nan 8.290 nan 0.000 0.496 449 Y N 2.161 122.525 120.300 0.107 0.000 2.224 449 Y HA 0.310 4.860 4.550 -0.000 0.000 0.289 449 Y C 1.948 177.915 175.900 0.112 0.000 1.146 449 Y CA 1.680 59.835 58.100 0.091 0.000 1.182 449 Y CB -0.473 38.034 38.460 0.078 0.000 0.983 449 Y HN 0.446 nan 8.280 nan 0.000 0.524 450 G N 1.988 110.870 108.800 0.137 0.000 2.398 450 G HA2 0.330 4.290 3.960 -0.000 0.000 0.246 450 G HA3 0.330 4.290 3.960 -0.000 0.000 0.246 450 G C -0.962 174.044 174.900 0.177 0.000 1.289 450 G CA -0.394 44.781 45.100 0.125 0.000 0.869 450 G HN 0.531 nan 8.290 nan 0.000 0.543 451 Q N 1.283 121.098 119.800 0.025 0.000 2.387 451 Q HA 0.434 4.774 4.340 -0.000 0.000 0.273 451 Q C -1.061 174.687 176.000 -0.421 0.000 1.089 451 Q CA -1.151 54.622 55.803 -0.050 0.000 0.824 451 Q CB 1.871 30.526 28.738 -0.138 0.000 1.367 451 Q HN 0.539 nan 8.270 nan 0.000 0.443 452 Y N 1.789 121.698 120.300 -0.651 0.000 2.550 452 Y HA 0.289 4.839 4.550 -0.000 0.000 0.343 452 Y C -1.133 174.424 175.900 -0.571 0.000 1.245 452 Y CA 0.092 57.594 58.100 -0.997 0.000 1.462 452 Y CB 0.609 38.820 38.460 -0.416 0.000 1.340 452 Y HN 0.587 nan 8.280 nan 0.000 0.604 453 L N 6.515 126.830 121.223 -1.512 0.000 2.372 453 L HA 0.418 4.757 4.340 -0.000 0.000 0.274 453 L C -0.559 175.649 176.870 -1.104 0.000 0.988 453 L CA -0.931 53.310 54.840 -0.997 0.000 0.833 453 L CB 1.610 43.270 42.059 -0.665 0.000 1.236 453 L HN 0.549 nan 8.230 nan 0.000 0.410 454 K N 3.867 123.921 120.400 -0.576 0.000 2.276 454 K HA 0.456 4.776 4.320 -0.000 0.000 0.283 454 K C -0.479 175.985 176.600 -0.228 0.000 1.044 454 K CA -0.517 55.605 56.287 -0.275 0.000 0.944 454 K CB 1.338 33.800 32.500 -0.064 0.000 1.012 454 K HN 0.516 nan 8.250 nan 0.000 0.472 455 R N 0.996 121.400 120.500 -0.160 0.000 2.604 455 R HA 0.382 4.722 4.340 -0.000 0.000 0.287 455 R C -0.243 176.032 176.300 -0.042 0.000 0.970 455 R CA -0.795 55.239 56.100 -0.109 0.000 0.946 455 R CB 1.555 31.792 30.300 -0.105 0.000 1.127 455 R HN 0.658 nan 8.270 nan 0.000 0.473 456 A N 1.554 124.356 122.820 -0.030 0.000 2.536 456 A HA -0.041 4.279 4.320 -0.000 0.000 0.234 456 A C 0.496 178.093 177.584 0.022 0.000 1.076 456 A CA 0.211 52.243 52.037 -0.009 0.000 0.769 456 A CB 0.140 19.132 19.000 -0.014 0.000 1.020 456 A HN 0.796 nan 8.150 nan 0.000 0.508 457 K N 0.347 120.766 120.400 0.032 0.000 2.836 457 K HA 0.056 4.376 4.320 -0.000 0.000 0.236 457 K C -0.587 176.101 176.600 0.148 0.000 1.015 457 K CA 0.231 56.558 56.287 0.065 0.000 1.194 457 K CB -0.586 31.942 32.500 0.047 0.000 1.002 457 K HN 0.743 nan 8.250 nan 0.000 0.479 458 Y N -2.800 117.463 120.300 -0.061 0.000 4.569 458 Y HA -0.296 4.254 4.550 -0.000 0.000 0.237 458 Y C -0.020 175.841 175.900 -0.065 0.000 1.090 458 Y CA 0.772 58.819 58.100 -0.088 0.000 2.052 458 Y CB -1.341 37.072 38.460 -0.080 0.000 1.621 458 Y HN 0.258 nan 8.280 nan 0.000 0.682 459 G N -0.806 107.950 108.800 -0.072 0.000 3.217 459 G HA2 0.526 4.486 3.960 -0.000 0.000 0.213 459 G HA3 0.526 4.486 3.960 -0.000 0.000 0.213 459 G C 0.075 174.924 174.900 -0.085 0.000 1.294 459 G CA 0.007 45.052 45.100 -0.092 0.000 0.987 459 G HN 0.222 nan 8.290 nan 0.000 0.584 460 T N 0.000 114.522 114.554 -0.053 0.000 3.816 460 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 460 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 460 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 460 T HN 0.000 nan 8.240 nan 0.000 0.658