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 1xyg_1_D DATA FIRST_RESID 15 DATA SEQUENCE KDIRIGLLGA SGYTGAEIVR LLANHPHFQV TLMTADRKAG QSMESVFPHL DATA SEQUENCE RAQKLPTLVS VKDADFSTVD AVFCCLPHGT TQEIIKELPT ALKIVDLSAD DATA SEQUENCE FRLRNIAEYE EWYGQPHKAV ELQKEVVYGL TEILREDIKK ARLVANPGCY DATA SEQUENCE PTTIQLPLVP LLKANLIKHE NIIIDAKSGV SGAGRGAKEA NLYSEIAEGI DATA SEQUENCE SSYGVTRHRH VPEIEQGLSD VAQSKVTVSF TPHLMPMIRG MQSTIYVEMA DATA SEQUENCE PGVRTEDLHQ QLKTSYEDEE FVKVLDEGVV PRTHNVRGSN YCHMSVFPDR DATA SEQUENCE IPGRAIIISV IDNLVKGASG QALQNLNIML GYPETTGLLH QPLFP 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 15 K HA 0.000 nan 4.320 nan 0.000 0.191 15 K C 0.000 176.686 176.600 0.143 0.000 0.988 15 K CA 0.000 56.362 56.287 0.125 0.000 0.838 15 K CB 0.000 32.581 32.500 0.135 0.000 1.064 16 D N 0.057 120.573 120.400 0.194 0.000 2.363 16 D HA 0.027 2.669 4.640 -3.330 0.000 0.226 16 D C 0.286 176.687 176.300 0.168 0.000 1.020 16 D CA 0.572 54.677 54.000 0.174 0.000 0.892 16 D CB 0.193 41.106 40.800 0.189 0.000 0.900 16 D HN 0.183 nan 8.370 nan 0.000 0.531 17 I N 0.961 121.639 120.570 0.180 0.000 2.447 17 I HA 0.316 2.488 4.170 -3.330 0.000 0.287 17 I C -0.179 175.955 176.117 0.027 0.000 1.023 17 I CA -0.863 60.490 61.300 0.088 0.000 1.083 17 I CB 1.694 39.714 38.000 0.035 0.000 1.245 17 I HN -0.162 nan 8.210 nan 0.000 0.434 18 R N 5.993 126.481 120.500 -0.020 0.000 2.229 18 R HA 0.628 2.970 4.340 -3.330 0.000 0.328 18 R C -0.635 175.628 176.300 -0.061 0.000 1.009 18 R CA -0.628 55.462 56.100 -0.017 0.000 0.864 18 R CB 1.662 31.963 30.300 0.003 0.000 1.085 18 R HN 0.373 nan 8.270 nan 0.000 0.453 19 I N 1.796 122.346 120.570 -0.033 0.000 2.441 19 I HA 0.378 2.550 4.170 -3.330 0.000 0.295 19 I C 0.748 176.889 176.117 0.040 0.000 0.994 19 I CA -0.588 60.694 61.300 -0.031 0.000 1.144 19 I CB 1.689 39.698 38.000 0.016 0.000 1.314 19 I HN 0.683 nan 8.210 nan 0.000 0.445 20 G N 5.599 114.437 108.800 0.064 0.000 2.416 20 G HA2 0.580 2.543 3.960 -3.330 0.000 0.324 20 G HA3 0.580 2.543 3.960 -3.330 0.000 0.324 20 G C -1.476 173.523 174.900 0.164 0.000 1.194 20 G CA -0.353 44.822 45.100 0.126 0.000 0.922 20 G HN 0.414 nan 8.290 nan 0.000 0.467 21 L N 3.233 124.549 121.223 0.155 0.000 2.316 21 L HA 0.545 2.887 4.340 -3.330 0.000 0.280 21 L C -0.584 176.373 176.870 0.145 0.000 1.006 21 L CA -0.702 54.241 54.840 0.173 0.000 0.836 21 L CB 1.237 43.378 42.059 0.137 0.000 1.221 21 L HN 0.391 nan 8.230 nan 0.000 0.418 22 L N 6.388 127.705 121.223 0.157 0.000 2.268 22 L HA 0.629 2.971 4.340 -3.330 0.000 0.289 22 L C 0.782 177.717 176.870 0.109 0.000 1.064 22 L CA -0.428 54.493 54.840 0.135 0.000 0.824 22 L CB 0.722 42.867 42.059 0.143 0.000 1.202 22 L HN 0.922 nan 8.230 nan 0.000 0.433 23 G N 2.558 111.412 108.800 0.091 0.000 2.871 23 G HA2 -0.071 1.891 3.960 -3.330 0.000 0.262 23 G HA3 -0.071 1.891 3.960 -3.330 0.000 0.262 23 G C 0.405 175.359 174.900 0.090 0.000 1.126 23 G CA -0.113 45.035 45.100 0.081 0.000 1.130 23 G HN 0.849 nan 8.290 nan 0.000 0.549 24 A N 0.273 123.150 122.820 0.096 0.000 2.238 24 A HA 0.508 2.830 4.320 -3.330 0.000 0.210 24 A C 2.308 180.016 177.584 0.207 0.000 1.179 24 A CA 1.638 53.747 52.037 0.120 0.000 0.827 24 A CB -0.135 18.927 19.000 0.104 0.000 0.856 24 A HN 1.828 nan 8.150 nan 0.000 0.488 25 S N -0.770 115.036 115.700 0.176 0.000 2.603 25 S HA 0.310 2.782 4.470 -3.330 0.000 0.220 25 S C 1.050 175.822 174.600 0.286 0.000 0.967 25 S CA 0.264 58.588 58.200 0.208 0.000 0.920 25 S CB -0.235 62.981 63.200 0.027 0.000 0.773 25 S HN 0.554 nan 8.310 nan 0.000 0.529 26 G N -0.261 108.678 108.800 0.231 0.000 2.531 26 G HA2 0.487 2.450 3.960 -3.330 0.000 0.313 26 G HA3 0.487 2.450 3.960 -3.330 0.000 0.313 26 G C 0.019 175.057 174.900 0.230 0.000 1.238 26 G CA -0.733 44.450 45.100 0.139 0.000 0.994 26 G HN 0.127 nan 8.290 nan 0.000 0.493 27 Y N -0.020 120.369 120.300 0.149 0.000 2.242 27 Y HA -0.128 4.503 4.550 0.135 0.000 0.291 27 Y C 3.297 179.148 175.900 -0.082 0.000 1.137 27 Y CA 1.665 59.764 58.100 -0.001 0.000 1.181 27 Y CB -1.044 37.424 38.460 0.014 0.000 0.989 27 Y HN 0.550 nan 8.280 nan 0.000 0.527 28 T N -3.242 111.385 114.554 0.122 0.000 2.867 28 T HA -0.067 2.285 4.350 -3.330 0.000 0.268 28 T C 2.352 177.029 174.700 -0.038 0.000 1.057 28 T CA 1.149 63.259 62.100 0.017 0.000 1.136 28 T CB -0.967 67.916 68.868 0.025 0.000 0.874 28 T HN 0.329 nan 8.240 nan 0.000 0.466 29 G N 1.303 110.105 108.800 0.004 0.000 2.402 29 G HA2 0.112 2.075 3.960 -3.330 0.000 0.216 29 G HA3 0.112 2.075 3.960 -3.330 0.000 0.216 29 G C 1.930 176.782 174.900 -0.081 0.000 1.162 29 G CA 0.705 45.799 45.100 -0.011 0.000 0.777 29 G HN 0.710 nan 8.290 nan 0.000 0.539 30 A N 0.670 123.389 122.820 -0.168 0.000 1.902 30 A HA -0.031 2.292 4.320 -3.330 0.000 0.217 30 A C 2.235 179.704 177.584 -0.192 0.000 1.181 30 A CA 1.938 53.777 52.037 -0.330 0.000 0.623 30 A CB -0.313 18.223 19.000 -0.773 0.000 0.818 30 A HN 0.281 nan 8.150 nan 0.000 0.443 31 E N -0.055 120.043 120.200 -0.169 0.000 2.077 31 E HA -0.149 2.204 4.350 -3.330 0.000 0.193 31 E C 2.061 178.549 176.600 -0.186 0.000 0.989 31 E CA 0.850 57.148 56.400 -0.171 0.000 0.800 31 E CB -0.360 29.241 29.700 -0.165 0.000 0.746 31 E HN 0.558 nan 8.360 nan 0.000 0.452 32 I N 0.791 121.233 120.570 -0.213 0.000 2.127 32 I HA -0.229 1.943 4.170 -3.330 0.000 0.241 32 I C 2.528 178.547 176.117 -0.162 0.000 1.075 32 I CA 0.908 62.034 61.300 -0.290 0.000 1.334 32 I CB -1.189 36.592 38.000 -0.366 0.000 1.040 32 I HN -0.047 nan 8.210 nan 0.000 0.405 33 V N 0.918 120.768 119.914 -0.107 0.000 2.343 33 V HA -0.272 1.851 4.120 -3.330 0.000 0.247 33 V C 2.757 178.827 176.094 -0.040 0.000 1.051 33 V CA 1.957 64.225 62.300 -0.053 0.000 1.036 33 V CB -0.834 30.958 31.823 -0.051 0.000 0.654 33 V HN 0.410 nan 8.190 nan 0.000 0.451 34 R N -0.146 120.317 120.500 -0.062 0.000 2.073 34 R HA -0.130 2.212 4.340 -3.330 0.000 0.234 34 R C 2.318 178.602 176.300 -0.026 0.000 1.134 34 R CA 1.659 57.735 56.100 -0.040 0.000 0.952 34 R CB -0.303 29.954 30.300 -0.071 0.000 0.850 34 R HN 0.443 nan 8.270 nan 0.000 0.433 35 L N 0.654 121.836 121.223 -0.069 0.000 2.046 35 L HA -0.186 2.156 4.340 -3.330 0.000 0.208 35 L C 2.393 179.335 176.870 0.118 0.000 1.077 35 L CA 1.166 56.006 54.840 -0.000 0.000 0.747 35 L CB -0.321 41.698 42.059 -0.067 0.000 0.896 35 L HN 0.279 nan 8.230 nan 0.000 0.432 36 L N -0.712 120.555 121.223 0.073 0.000 2.291 36 L HA -0.118 2.224 4.340 -3.330 0.000 0.214 36 L C 2.840 179.780 176.870 0.117 0.000 1.120 36 L CA 0.557 55.470 54.840 0.122 0.000 0.799 36 L CB -0.752 41.365 42.059 0.096 0.000 0.925 36 L HN 0.240 nan 8.230 nan 0.000 0.446 37 A N 0.755 123.624 122.820 0.081 0.000 1.903 37 A HA -0.236 2.087 4.320 -3.330 0.000 0.219 37 A C 1.712 179.333 177.584 0.062 0.000 1.191 37 A CA 2.123 54.198 52.037 0.063 0.000 0.638 37 A CB -0.415 18.615 19.000 0.051 0.000 0.823 37 A HN 0.500 nan 8.150 nan 0.000 0.451 38 N N -1.016 117.728 118.700 0.074 0.000 2.238 38 N HA 0.041 2.783 4.740 -3.330 0.000 0.222 38 N C -0.299 175.197 175.510 -0.023 0.000 1.133 38 N CA -0.103 52.957 53.050 0.017 0.000 0.854 38 N CB 0.037 38.522 38.487 -0.004 0.000 1.041 38 N HN 0.579 nan 8.380 nan 0.000 0.510 39 H N 3.146 122.170 119.070 -0.077 0.000 2.767 39 H HA 0.106 2.664 4.556 -3.330 0.000 0.316 39 H C -1.391 173.794 175.328 -0.239 0.000 1.059 39 H CA -1.045 54.900 56.048 -0.173 0.000 1.461 39 H CB 1.630 31.299 29.762 -0.154 0.000 1.475 39 H HN 0.026 nan 8.280 nan 0.000 0.531 40 P HA -0.126 nan 4.420 nan 0.000 0.222 40 P C 0.515 177.521 177.300 -0.490 0.000 1.147 40 P CA 1.337 64.149 63.100 -0.480 0.000 0.790 40 P CB 0.592 31.867 31.700 -0.708 0.000 0.780 41 H N -2.730 116.380 119.070 0.067 0.000 3.205 41 H HA 0.238 2.796 4.556 -3.330 0.000 0.252 41 H C 0.395 175.861 175.328 0.231 0.000 1.015 41 H CA -0.221 55.853 56.048 0.045 0.000 1.192 41 H CB 0.060 29.697 29.762 -0.208 0.000 1.474 41 H HN 0.067 nan 8.280 nan 0.000 0.484 42 F N 1.991 121.946 119.950 0.007 0.000 2.404 42 F HA 0.490 3.018 4.527 -3.332 0.000 0.339 42 F C 0.500 176.264 175.800 -0.060 0.000 1.105 42 F CA -1.204 56.689 58.000 -0.178 0.000 1.087 42 F CB 1.402 40.104 39.000 -0.497 0.000 1.143 42 F HN -0.075 nan 8.300 nan 0.000 0.491 43 Q N 1.740 121.638 119.800 0.162 0.000 2.305 43 Q HA 0.528 2.870 4.340 -3.330 0.000 0.271 43 Q C -1.671 174.373 176.000 0.073 0.000 1.046 43 Q CA -0.676 55.189 55.803 0.103 0.000 0.798 43 Q CB 2.696 31.485 28.738 0.085 0.000 1.286 43 Q HN 0.482 nan 8.270 nan 0.000 0.435 44 V N 3.490 123.446 119.914 0.070 0.000 2.470 44 V HA 0.119 2.241 4.120 -3.330 0.000 0.276 44 V C 1.058 177.175 176.094 0.039 0.000 1.040 44 V CA 0.895 63.231 62.300 0.060 0.000 1.008 44 V CB 0.766 32.624 31.823 0.059 0.000 0.990 44 V HN 1.038 nan 8.190 nan 0.000 0.477 45 T N 1.671 116.241 114.554 0.027 0.000 3.004 45 T HA 0.374 2.727 4.350 -3.330 0.000 0.266 45 T C -0.215 174.480 174.700 -0.008 0.000 0.986 45 T CA -0.100 62.005 62.100 0.010 0.000 0.902 45 T CB 0.323 69.194 68.868 0.004 0.000 1.118 45 T HN 0.338 nan 8.240 nan 0.000 0.522 46 L N 1.352 122.574 121.223 -0.002 0.000 2.505 46 L HA 0.755 3.097 4.340 -3.330 0.000 0.266 46 L C -1.883 174.995 176.870 0.012 0.000 0.954 46 L CA -0.954 53.871 54.840 -0.026 0.000 0.852 46 L CB 2.078 44.085 42.059 -0.087 0.000 1.282 46 L HN 0.167 nan 8.230 nan 0.000 0.403 47 M N 3.976 123.581 119.600 0.009 0.000 2.326 47 M HA 0.584 3.066 4.480 -3.330 0.000 0.306 47 M C -0.517 175.800 176.300 0.028 0.000 1.054 47 M CA -0.607 54.715 55.300 0.036 0.000 0.922 47 M CB 2.455 35.080 32.600 0.042 0.000 1.632 47 M HN 0.734 nan 8.290 nan 0.000 0.436 48 T N 0.126 114.709 114.554 0.048 0.000 2.888 48 T HA 0.955 3.307 4.350 -3.330 0.000 0.284 48 T C -0.698 174.031 174.700 0.048 0.000 1.017 48 T CA -0.736 61.389 62.100 0.042 0.000 1.022 48 T CB 2.105 71.007 68.868 0.058 0.000 1.013 48 T HN 0.846 nan 8.240 nan 0.000 0.465 49 A N 1.561 124.402 122.820 0.034 0.000 2.594 49 A HA 0.674 2.997 4.320 -3.330 0.000 0.295 49 A C 0.039 177.634 177.584 0.018 0.000 1.071 49 A CA -0.622 51.432 52.037 0.029 0.000 0.685 49 A CB 1.797 20.811 19.000 0.023 0.000 1.285 49 A HN 0.851 nan 8.150 nan 0.000 0.405 50 D N 0.068 120.476 120.400 0.013 0.000 2.458 50 D HA -0.009 2.634 4.640 -3.330 0.000 0.252 50 D C 1.728 178.026 176.300 -0.002 0.000 1.221 50 D CA 1.074 55.078 54.000 0.007 0.000 0.985 50 D CB 0.110 40.914 40.800 0.007 0.000 1.050 50 D HN 0.520 nan 8.370 nan 0.000 0.411 51 R N -0.089 120.406 120.500 -0.008 0.000 2.152 51 R HA 0.004 2.346 4.340 -3.330 0.000 0.232 51 R C 1.084 177.373 176.300 -0.018 0.000 1.117 51 R CA 1.101 57.192 56.100 -0.015 0.000 0.981 51 R CB 0.102 30.390 30.300 -0.021 0.000 0.870 51 R HN 0.076 nan 8.270 nan 0.000 0.451 52 K N 0.063 120.451 120.400 -0.019 0.000 2.446 52 K HA 0.222 2.545 4.320 -3.330 0.000 0.203 52 K C -0.315 176.277 176.600 -0.013 0.000 1.027 52 K CA -0.144 56.129 56.287 -0.023 0.000 1.166 52 K CB 1.149 33.627 32.500 -0.036 0.000 0.869 52 K HN 0.117 nan 8.250 nan 0.000 0.504 53 A N 0.595 123.410 122.820 -0.008 0.000 2.511 53 A HA 0.415 2.737 4.320 -3.330 0.000 0.242 53 A C 1.306 178.885 177.584 -0.009 0.000 1.069 53 A CA 0.924 52.958 52.037 -0.005 0.000 0.763 53 A CB -0.182 18.816 19.000 -0.003 0.000 1.001 53 A HN 0.548 nan 8.150 nan 0.000 0.498 54 G N 1.103 109.898 108.800 -0.008 0.000 2.254 54 G HA2 -0.196 1.766 3.960 -3.330 0.000 0.225 54 G HA3 -0.196 1.766 3.960 -3.330 0.000 0.225 54 G C 0.287 175.181 174.900 -0.010 0.000 1.003 54 G CA 0.414 45.509 45.100 -0.010 0.000 0.622 54 G HN 0.904 nan 8.290 nan 0.000 0.507 55 Q N 0.901 120.695 119.800 -0.010 0.000 2.212 55 Q HA 0.601 2.943 4.340 -3.330 0.000 0.238 55 Q C 0.724 176.721 176.000 -0.005 0.000 0.955 55 Q CA 0.086 55.883 55.803 -0.011 0.000 0.906 55 Q CB 1.474 30.201 28.738 -0.018 0.000 1.215 55 Q HN 0.598 nan 8.270 nan 0.000 0.478 56 S N 0.137 115.835 115.700 -0.004 0.000 2.632 56 S HA 0.211 2.683 4.470 -3.330 0.000 0.267 56 S C 0.760 175.366 174.600 0.009 0.000 1.276 56 S CA -0.554 57.648 58.200 0.002 0.000 0.998 56 S CB 0.765 63.966 63.200 0.000 0.000 0.953 56 S HN 0.744 nan 8.310 nan 0.000 0.547 57 M N 0.494 120.108 119.600 0.024 0.000 2.419 57 M HA -0.002 2.480 4.480 -3.330 0.000 0.264 57 M C 1.986 178.315 176.300 0.048 0.000 1.082 57 M CA 0.914 56.246 55.300 0.053 0.000 1.119 57 M CB -0.378 32.273 32.600 0.085 0.000 1.398 57 M HN 0.856 nan 8.290 nan 0.000 0.453 58 E N -0.017 120.194 120.200 0.019 0.000 2.118 58 E HA -0.204 2.148 4.350 -3.330 0.000 0.195 58 E C 1.944 178.548 176.600 0.008 0.000 0.992 58 E CA 1.779 58.185 56.400 0.010 0.000 0.804 58 E CB -0.058 29.643 29.700 0.002 0.000 0.741 58 E HN 0.554 nan 8.360 nan 0.000 0.458 59 S N 0.098 115.794 115.700 -0.007 0.000 2.382 59 S HA -0.112 2.360 4.470 -3.330 0.000 0.228 59 S C 2.124 176.685 174.600 -0.065 0.000 1.027 59 S CA 1.106 59.290 58.200 -0.027 0.000 0.991 59 S CB -0.309 62.874 63.200 -0.027 0.000 0.823 59 S HN 0.052 nan 8.310 nan 0.000 0.469 60 V N -0.467 119.391 119.914 -0.092 0.000 2.331 60 V HA 0.255 2.377 4.120 -3.330 0.000 0.242 60 V C 0.356 176.210 176.094 -0.400 0.000 1.034 60 V CA 0.881 63.023 62.300 -0.263 0.000 1.027 60 V CB -0.639 31.023 31.823 -0.268 0.000 0.667 60 V HN 0.506 nan 8.190 nan 0.000 0.457 61 F N 1.297 121.257 119.950 0.017 0.000 2.564 61 F HA 0.432 2.885 4.527 -3.457 0.000 0.368 61 F C -1.581 174.176 175.800 -0.071 0.000 1.127 61 F CA -2.537 55.485 58.000 0.037 0.000 1.170 61 F CB 1.212 40.217 39.000 0.008 0.000 1.397 61 F HN 0.027 nan 8.300 nan 0.000 0.493 62 P HA -0.221 nan 4.420 nan 0.000 0.225 62 P C 1.402 178.745 177.300 0.071 0.000 1.148 62 P CA 1.559 64.708 63.100 0.082 0.000 0.779 62 P CB -0.224 31.526 31.700 0.085 0.000 0.780 63 H N -0.371 118.770 119.070 0.118 0.000 2.545 63 H HA 0.071 2.624 4.556 -3.338 0.000 0.282 63 H C 1.294 176.653 175.328 0.051 0.000 1.020 63 H CA 0.362 56.453 56.048 0.071 0.000 1.243 63 H CB -0.866 28.932 29.762 0.061 0.000 1.377 63 H HN 0.196 nan 8.280 nan 0.000 0.581 64 L N 1.719 122.681 121.223 -0.436 0.000 2.653 64 L HA 0.140 2.482 4.340 -3.330 0.000 0.231 64 L C 2.347 179.156 176.870 -0.102 0.000 1.153 64 L CA 0.004 54.668 54.840 -0.293 0.000 0.933 64 L CB 0.018 41.868 42.059 -0.350 0.000 1.175 64 L HN 0.201 nan 8.230 nan 0.000 0.473 65 R N 0.764 121.232 120.500 -0.052 0.000 2.293 65 R HA -0.073 2.269 4.340 -3.330 0.000 0.219 65 R C 1.886 178.182 176.300 -0.007 0.000 1.091 65 R CA 1.288 57.377 56.100 -0.017 0.000 1.004 65 R CB -0.416 29.884 30.300 0.001 0.000 0.865 65 R HN 0.198 nan 8.270 nan 0.000 0.469 66 A N 0.463 123.280 122.820 -0.004 0.000 2.119 66 A HA 0.011 2.334 4.320 -3.330 0.000 0.216 66 A C 0.628 178.214 177.584 0.002 0.000 1.152 66 A CA 0.409 52.448 52.037 0.005 0.000 0.708 66 A CB -0.076 18.931 19.000 0.013 0.000 0.805 66 A HN 0.482 nan 8.150 nan 0.000 0.460 67 Q N -0.130 119.666 119.800 -0.006 0.000 2.227 67 Q HA 0.373 2.715 4.340 -3.330 0.000 0.245 67 Q C -0.858 175.142 176.000 -0.001 0.000 0.926 67 Q CA -0.366 55.436 55.803 -0.002 0.000 0.895 67 Q CB 1.180 29.913 28.738 -0.008 0.000 1.230 67 Q HN 0.178 nan 8.270 nan 0.000 0.450 68 K N 2.559 122.962 120.400 0.005 0.000 2.292 68 K HA 0.426 2.748 4.320 -3.330 0.000 0.270 68 K C -0.935 175.670 176.600 0.008 0.000 1.062 68 K CA -0.144 56.147 56.287 0.006 0.000 0.916 68 K CB 0.583 33.088 32.500 0.008 0.000 1.166 68 K HN 0.394 nan 8.250 nan 0.000 0.458 69 L N 4.179 125.406 121.223 0.006 0.000 2.341 69 L HA 0.558 2.900 4.340 -3.330 0.000 0.267 69 L C -1.887 174.987 176.870 0.008 0.000 1.009 69 L CA -2.158 52.688 54.840 0.010 0.000 0.819 69 L CB 1.679 43.744 42.059 0.010 0.000 1.323 69 L HN 0.492 nan 8.230 nan 0.000 0.425 70 P HA 0.147 nan 4.420 nan 0.000 0.274 70 P C -0.631 176.671 177.300 0.002 0.000 1.231 70 P CA -0.357 62.743 63.100 0.001 0.000 0.790 70 P CB 0.649 32.347 31.700 -0.003 0.000 0.951 71 T N 2.014 116.566 114.554 -0.003 0.000 2.940 71 T HA 0.122 2.474 4.350 -3.330 0.000 0.309 71 T C 0.723 175.421 174.700 -0.003 0.000 1.056 71 T CA -0.161 61.937 62.100 -0.003 0.000 1.137 71 T CB -0.045 68.819 68.868 -0.007 0.000 0.976 71 T HN 0.214 nan 8.240 nan 0.000 0.547 72 L N 3.529 124.753 121.223 0.002 0.000 2.455 72 L HA 0.373 2.716 4.340 -3.330 0.000 0.272 72 L C 0.619 177.486 176.870 -0.005 0.000 1.174 72 L CA -0.306 54.536 54.840 0.005 0.000 0.869 72 L CB 0.139 42.205 42.059 0.012 0.000 1.130 72 L HN 0.494 nan 8.230 nan 0.000 0.474 73 V N 0.197 120.105 119.914 -0.010 0.000 3.158 73 V HA 0.611 2.733 4.120 -3.330 0.000 0.315 73 V C -0.037 176.051 176.094 -0.010 0.000 1.148 73 V CA -0.833 61.457 62.300 -0.018 0.000 1.042 73 V CB 1.904 33.704 31.823 -0.038 0.000 1.101 73 V HN 0.687 nan 8.190 nan 0.000 0.448 74 S N -0.182 115.512 115.700 -0.011 0.000 2.565 74 S HA 0.336 2.808 4.470 -3.330 0.000 0.274 74 S C 0.903 175.506 174.600 0.005 0.000 1.309 74 S CA -0.006 58.195 58.200 0.002 0.000 1.043 74 S CB 1.208 64.409 63.200 0.002 0.000 0.939 74 S HN 0.982 nan 8.310 nan 0.000 0.504 75 V N 5.305 125.239 119.914 0.034 0.000 2.490 75 V HA -0.097 2.025 4.120 -3.330 0.000 0.250 75 V C 2.186 178.324 176.094 0.073 0.000 1.061 75 V CA 1.687 64.030 62.300 0.072 0.000 1.064 75 V CB -0.819 31.066 31.823 0.103 0.000 0.670 75 V HN 0.756 nan 8.190 nan 0.000 0.461 76 K N 0.172 120.600 120.400 0.047 0.000 2.365 76 K HA -0.067 2.255 4.320 -3.330 0.000 0.199 76 K C 1.365 177.980 176.600 0.024 0.000 1.045 76 K CA 0.951 57.264 56.287 0.044 0.000 0.962 76 K CB -0.122 32.397 32.500 0.030 0.000 0.759 76 K HN 0.462 nan 8.250 nan 0.000 0.469 77 D N -0.286 120.113 120.400 -0.002 0.000 2.398 77 D HA 0.115 2.757 4.640 -3.330 0.000 0.210 77 D C -0.186 176.071 176.300 -0.072 0.000 1.094 77 D CA 0.077 54.062 54.000 -0.025 0.000 0.839 77 D CB 0.458 41.242 40.800 -0.026 0.000 0.963 77 D HN 0.079 nan 8.370 nan 0.000 0.506 78 A N 0.904 123.658 122.820 -0.110 0.000 2.401 78 A HA 0.222 2.545 4.320 -3.330 0.000 0.259 78 A C 0.004 177.358 177.584 -0.383 0.000 1.103 78 A CA -0.075 51.783 52.037 -0.298 0.000 0.789 78 A CB 0.731 19.474 19.000 -0.428 0.000 1.035 78 A HN -0.086 nan 8.150 nan 0.000 0.491 79 D N 1.871 122.007 120.400 -0.441 0.000 2.408 79 D HA 0.434 3.077 4.640 -3.330 0.000 0.243 79 D C -0.776 175.271 176.300 -0.422 0.000 1.075 79 D CA -0.313 53.518 54.000 -0.283 0.000 0.832 79 D CB 0.812 41.538 40.800 -0.124 0.000 1.162 79 D HN 0.335 nan 8.370 nan 0.000 0.515 80 F N 1.439 121.380 119.950 -0.014 0.000 2.645 80 F HA 0.028 2.555 4.527 -3.333 0.000 0.300 80 F C 2.402 178.188 175.800 -0.023 0.000 1.115 80 F CA -0.281 57.706 58.000 -0.022 0.000 1.355 80 F CB 0.076 39.059 39.000 -0.029 0.000 1.026 80 F HN 0.277 nan 8.300 nan 0.000 0.536 81 S N -1.107 114.645 115.700 0.086 0.000 2.469 81 S HA -0.151 2.322 4.470 -3.330 0.000 0.238 81 S C 1.562 176.183 174.600 0.035 0.000 0.998 81 S CA 1.385 59.619 58.200 0.057 0.000 0.957 81 S CB -0.942 62.276 63.200 0.031 0.000 0.764 81 S HN 0.430 nan 8.310 nan 0.000 0.514 82 T N -1.304 113.263 114.554 0.021 0.000 3.182 82 T HA 0.526 2.879 4.350 -3.330 0.000 0.277 82 T C -0.012 174.699 174.700 0.018 0.000 1.013 82 T CA -0.484 61.623 62.100 0.012 0.000 0.900 82 T CB 0.069 68.934 68.868 -0.004 0.000 1.098 82 T HN 0.127 nan 8.240 nan 0.000 0.543 83 V N 1.739 121.681 119.914 0.048 0.000 2.581 83 V HA 0.397 2.520 4.120 -3.330 0.000 0.303 83 V C 0.165 176.281 176.094 0.036 0.000 1.041 83 V CA -0.673 61.661 62.300 0.058 0.000 0.907 83 V CB 2.034 33.950 31.823 0.155 0.000 0.994 83 V HN 0.267 nan 8.190 nan 0.000 0.442 84 D N 1.925 122.312 120.400 -0.022 0.000 2.394 84 D HA 0.352 2.994 4.640 -3.330 0.000 0.226 84 D C 0.451 176.677 176.300 -0.124 0.000 0.990 84 D CA 0.909 54.870 54.000 -0.064 0.000 0.902 84 D CB 1.188 41.940 40.800 -0.080 0.000 1.038 84 D HN 0.632 nan 8.370 nan 0.000 0.499 85 A N 0.228 122.944 122.820 -0.174 0.000 2.587 85 A HA 0.622 2.944 4.320 -3.330 0.000 0.293 85 A C -1.314 176.122 177.584 -0.247 0.000 1.087 85 A CA -0.501 51.377 52.037 -0.266 0.000 0.692 85 A CB 2.004 20.749 19.000 -0.425 0.000 1.291 85 A HN -0.094 nan 8.150 nan 0.000 0.407 86 V N 0.584 120.321 119.914 -0.295 0.000 2.789 86 V HA 0.613 2.736 4.120 -3.330 0.000 0.311 86 V C -1.563 174.359 176.094 -0.287 0.000 1.073 86 V CA -0.365 61.817 62.300 -0.197 0.000 0.921 86 V CB 1.851 33.614 31.823 -0.101 0.000 1.009 86 V HN 0.729 nan 8.190 nan 0.000 0.426 87 F N 2.356 122.297 119.950 -0.014 0.000 2.426 87 F HA 0.525 3.059 4.527 -3.322 0.000 0.348 87 F C 0.202 176.012 175.800 0.017 0.000 1.124 87 F CA -0.563 57.432 58.000 -0.008 0.000 1.008 87 F CB 1.397 40.393 39.000 -0.007 0.000 1.139 87 F HN 0.341 nan 8.300 nan 0.000 0.452 88 C N 2.793 122.216 119.300 0.205 0.000 2.264 88 C HA 0.431 2.893 4.460 -3.330 0.000 0.324 88 C C 0.205 175.275 174.990 0.134 0.000 1.267 88 C CA -0.875 58.229 59.018 0.143 0.000 1.618 88 C CB -0.253 27.549 27.740 0.104 0.000 2.278 88 C HN 0.926 nan 8.230 nan 0.000 0.499 89 C N 4.195 123.564 119.300 0.115 0.000 2.667 89 C HA 0.370 2.832 4.460 -3.330 0.000 0.261 89 C C 0.401 175.441 174.990 0.083 0.000 1.590 89 C CA -0.490 58.584 59.018 0.093 0.000 1.668 89 C CB -2.112 25.674 27.740 0.078 0.000 2.962 89 C HN 0.800 nan 8.230 nan 0.000 0.525 90 L N 2.515 123.787 121.223 0.082 0.000 2.431 90 L HA 0.498 2.840 4.340 -3.330 0.000 0.260 90 L C -1.654 175.255 176.870 0.066 0.000 1.098 90 L CA -1.489 53.391 54.840 0.066 0.000 0.800 90 L CB 0.452 42.547 42.059 0.059 0.000 1.210 90 L HN 0.090 nan 8.230 nan 0.000 0.465 91 P HA -0.024 nan 4.420 nan 0.000 0.272 91 P C -0.963 176.375 177.300 0.064 0.000 1.223 91 P CA -0.190 62.947 63.100 0.062 0.000 0.784 91 P CB 0.424 32.142 31.700 0.030 0.000 0.923 92 H N 0.744 119.838 119.070 0.039 0.000 2.929 92 H HA 0.204 2.759 4.556 -3.334 0.000 0.317 92 H C 0.962 176.308 175.328 0.030 0.000 1.031 92 H CA 1.136 57.202 56.048 0.029 0.000 1.466 92 H CB -0.194 29.630 29.762 0.103 0.000 1.482 92 H HN 0.792 nan 8.280 nan 0.000 0.561 93 G N 3.380 111.952 108.800 -0.379 0.000 2.545 93 G HA2 -0.306 1.656 3.960 -3.330 0.000 0.195 93 G HA3 -0.306 1.656 3.960 -3.330 0.000 0.195 93 G C 0.985 175.795 174.900 -0.150 0.000 1.009 93 G CA 0.433 45.331 45.100 -0.337 0.000 0.703 93 G HN 0.749 nan 8.290 nan 0.000 0.479 94 T N -2.710 111.787 114.554 -0.095 0.000 3.058 94 T HA 0.160 2.512 4.350 -3.330 0.000 0.247 94 T C 2.168 176.848 174.700 -0.033 0.000 0.987 94 T CA 1.969 64.041 62.100 -0.047 0.000 1.062 94 T CB -0.422 68.438 68.868 -0.014 0.000 1.048 94 T HN 0.222 nan 8.240 nan 0.000 0.468 95 T N 3.176 117.712 114.554 -0.030 0.000 2.567 95 T HA -0.323 2.029 4.350 -3.330 0.000 0.261 95 T C 2.013 176.727 174.700 0.024 0.000 1.123 95 T CA 2.431 64.533 62.100 0.002 0.000 1.166 95 T CB -0.826 68.031 68.868 -0.019 0.000 0.860 95 T HN 0.543 nan 8.240 nan 0.000 0.436 96 Q N 0.680 120.386 119.800 -0.157 0.000 2.062 96 Q HA -0.209 2.134 4.340 -3.330 0.000 0.209 96 Q C 2.495 178.550 176.000 0.092 0.000 0.996 96 Q CA 1.890 57.625 55.803 -0.113 0.000 0.859 96 Q CB -0.302 28.184 28.738 -0.419 0.000 0.920 96 Q HN 0.665 nan 8.270 nan 0.000 0.415 97 E N 0.197 120.409 120.200 0.020 0.000 2.150 97 E HA -0.116 2.236 4.350 -3.330 0.000 0.193 97 E C 2.027 178.654 176.600 0.046 0.000 0.985 97 E CA 0.658 57.081 56.400 0.040 0.000 0.814 97 E CB -0.012 29.698 29.700 0.017 0.000 0.752 97 E HN 0.391 nan 8.360 nan 0.000 0.466 98 I N 0.917 121.514 120.570 0.045 0.000 2.286 98 I HA -0.228 1.944 4.170 -3.330 0.000 0.245 98 I C 2.338 178.470 176.117 0.025 0.000 1.104 98 I CA 0.942 62.266 61.300 0.040 0.000 1.397 98 I CB -0.114 37.913 38.000 0.046 0.000 1.072 98 I HN 0.097 nan 8.210 nan 0.000 0.417 99 I N 0.685 121.292 120.570 0.062 0.000 2.315 99 I HA -0.273 1.899 4.170 -3.330 0.000 0.248 99 I C 2.586 178.691 176.117 -0.020 0.000 1.117 99 I CA 1.198 62.509 61.300 0.018 0.000 1.404 99 I CB -0.334 37.730 38.000 0.107 0.000 1.071 99 I HN 0.210 nan 8.210 nan 0.000 0.419 100 K N 1.275 121.704 120.400 0.049 0.000 2.097 100 K HA -0.159 2.163 4.320 -3.330 0.000 0.206 100 K C 1.311 177.902 176.600 -0.014 0.000 1.049 100 K CA 1.260 57.561 56.287 0.023 0.000 0.933 100 K CB 0.100 32.645 32.500 0.075 0.000 0.717 100 K HN 0.328 nan 8.250 nan 0.000 0.442 101 E N 0.698 120.893 120.200 -0.009 0.000 2.403 101 E HA 0.048 2.400 4.350 -3.330 0.000 0.187 101 E C -0.268 176.300 176.600 -0.053 0.000 1.073 101 E CA -0.052 56.338 56.400 -0.016 0.000 0.888 101 E CB 0.211 29.916 29.700 0.008 0.000 1.035 101 E HN 0.297 nan 8.360 nan 0.000 0.471 102 L N 2.742 123.899 121.223 -0.110 0.000 2.357 102 L HA 0.275 2.617 4.340 -3.330 0.000 0.273 102 L C -1.824 174.934 176.870 -0.188 0.000 1.080 102 L CA -2.105 52.601 54.840 -0.223 0.000 0.803 102 L CB 0.625 42.488 42.059 -0.327 0.000 1.174 102 L HN -0.090 nan 8.230 nan 0.000 0.443 103 P HA -0.006 nan 4.420 nan 0.000 0.265 103 P C 0.257 177.480 177.300 -0.128 0.000 1.187 103 P CA -0.057 62.972 63.100 -0.118 0.000 0.766 103 P CB 0.660 32.317 31.700 -0.072 0.000 0.820 104 T N 1.468 115.970 114.554 -0.087 0.000 2.962 104 T HA -0.065 2.287 4.350 -3.330 0.000 0.270 104 T C 1.737 176.387 174.700 -0.082 0.000 1.088 104 T CA 1.469 63.518 62.100 -0.085 0.000 1.127 104 T CB -0.303 68.528 68.868 -0.062 0.000 0.883 104 T HN 0.562 nan 8.240 nan 0.000 0.493 105 A N 0.646 123.425 122.820 -0.069 0.000 2.239 105 A HA 0.283 2.606 4.320 -3.330 0.000 0.209 105 A C 0.850 178.388 177.584 -0.077 0.000 1.171 105 A CA 0.352 52.354 52.037 -0.058 0.000 0.768 105 A CB -0.456 18.524 19.000 -0.034 0.000 0.790 105 A HN 0.449 nan 8.150 nan 0.000 0.478 106 L N 0.874 122.029 121.223 -0.112 0.000 2.312 106 L HA 0.256 2.598 4.340 -3.330 0.000 0.281 106 L C -0.106 176.670 176.870 -0.158 0.000 1.070 106 L CA -0.731 54.023 54.840 -0.144 0.000 0.805 106 L CB 1.148 43.079 42.059 -0.214 0.000 1.174 106 L HN 0.027 nan 8.230 nan 0.000 0.434 107 K N 4.826 125.127 120.400 -0.165 0.000 2.258 107 K HA 0.535 2.857 4.320 -3.330 0.000 0.284 107 K C -0.599 175.868 176.600 -0.223 0.000 1.051 107 K CA -0.150 56.031 56.287 -0.176 0.000 0.923 107 K CB 1.348 33.743 32.500 -0.174 0.000 1.046 107 K HN 0.450 nan 8.250 nan 0.000 0.474 108 I N 2.265 122.713 120.570 -0.204 0.000 2.465 108 I HA 0.276 2.448 4.170 -3.330 0.000 0.291 108 I C -0.495 175.519 176.117 -0.171 0.000 1.014 108 I CA -1.212 59.963 61.300 -0.208 0.000 1.093 108 I CB 2.165 40.051 38.000 -0.190 0.000 1.267 108 I HN 0.011 nan 8.210 nan 0.000 0.431 109 V N 4.024 123.838 119.914 -0.166 0.000 2.349 109 V HA 0.224 2.346 4.120 -3.330 0.000 0.284 109 V C -0.688 175.439 176.094 0.055 0.000 1.014 109 V CA -0.466 61.803 62.300 -0.053 0.000 0.826 109 V CB 1.593 33.398 31.823 -0.029 0.000 1.009 109 V HN 0.670 nan 8.190 nan 0.000 0.431 110 D N 3.875 124.313 120.400 0.063 0.000 2.280 110 D HA 0.360 3.002 4.640 -3.330 0.000 0.243 110 D C 0.558 176.933 176.300 0.124 0.000 1.129 110 D CA -0.288 53.782 54.000 0.117 0.000 0.848 110 D CB 1.786 42.693 40.800 0.178 0.000 1.107 110 D HN 0.296 nan 8.370 nan 0.000 0.471 111 L N 2.634 123.933 121.223 0.127 0.000 2.554 111 L HA 0.109 2.451 4.340 -3.330 0.000 0.226 111 L C 1.357 178.288 176.870 0.102 0.000 1.137 111 L CA 0.180 55.080 54.840 0.100 0.000 0.863 111 L CB -0.661 41.449 42.059 0.084 0.000 0.985 111 L HN 0.419 nan 8.230 nan 0.000 0.451 112 S N -0.451 115.315 115.700 0.110 0.000 2.626 112 S HA 0.406 2.878 4.470 -3.330 0.000 0.257 112 S C 1.214 175.869 174.600 0.092 0.000 1.288 112 S CA -0.026 58.234 58.200 0.100 0.000 0.980 112 S CB 1.225 64.470 63.200 0.074 0.000 0.975 112 S HN 0.116 nan 8.310 nan 0.000 0.577 113 A N -0.213 122.642 122.820 0.058 0.000 2.267 113 A HA 0.213 2.536 4.320 -3.330 0.000 0.213 113 A C 1.271 178.768 177.584 -0.145 0.000 1.192 113 A CA 0.179 52.237 52.037 0.035 0.000 0.851 113 A CB -0.563 18.519 19.000 0.136 0.000 0.881 113 A HN 0.786 nan 8.150 nan 0.000 0.494 114 D N -0.614 119.631 120.400 -0.259 0.000 2.311 114 D HA -0.098 2.544 4.640 -3.330 0.000 0.212 114 D C 0.229 176.045 176.300 -0.808 0.000 0.972 114 D CA 1.172 54.812 54.000 -0.600 0.000 0.887 114 D CB -0.157 40.237 40.800 -0.675 0.000 0.915 114 D HN 0.516 nan 8.370 nan 0.000 0.497 115 F N -0.722 119.155 119.950 -0.121 0.000 2.724 115 F HA 0.294 2.823 4.527 -3.331 0.000 0.310 115 F C 1.755 177.586 175.800 0.051 0.000 1.107 115 F CA -0.496 57.484 58.000 -0.033 0.000 1.218 115 F CB 0.363 39.355 39.000 -0.013 0.000 1.042 115 F HN -0.232 nan 8.300 nan 0.000 0.540 116 R N -0.013 120.607 120.500 0.199 0.000 2.075 116 R HA 0.112 2.454 4.340 -3.330 0.000 0.226 116 R C 0.373 176.748 176.300 0.125 0.000 1.114 116 R CA 0.706 56.945 56.100 0.231 0.000 0.972 116 R CB -0.093 30.358 30.300 0.252 0.000 0.869 116 R HN 0.142 nan 8.270 nan 0.000 0.437 117 L N 1.789 123.091 121.223 0.131 0.000 2.319 117 L HA 0.205 2.547 4.340 -3.330 0.000 0.280 117 L C 1.213 178.156 176.870 0.123 0.000 1.099 117 L CA -0.143 54.768 54.840 0.118 0.000 0.828 117 L CB 1.185 43.375 42.059 0.219 0.000 1.150 117 L HN 0.107 nan 8.230 nan 0.000 0.442 118 R N 0.997 121.537 120.500 0.066 0.000 2.161 118 R HA 0.008 2.351 4.340 -3.330 0.000 0.213 118 R C 0.729 177.061 176.300 0.053 0.000 1.055 118 R CA 0.156 56.287 56.100 0.052 0.000 0.996 118 R CB -0.090 30.222 30.300 0.019 0.000 0.901 118 R HN 0.533 nan 8.270 nan 0.000 0.456 119 N N 2.070 120.818 118.700 0.079 0.000 2.401 119 N HA -0.008 2.734 4.740 -3.330 0.000 0.255 119 N C 0.955 176.558 175.510 0.154 0.000 1.110 119 N CA -0.002 53.103 53.050 0.093 0.000 0.949 119 N CB 0.739 39.283 38.487 0.096 0.000 1.110 119 N HN -0.030 nan 8.380 nan 0.000 0.490 120 I N 3.271 123.908 120.570 0.112 0.000 2.163 120 I HA -0.263 1.909 4.170 -3.330 0.000 0.243 120 I C 2.246 178.511 176.117 0.246 0.000 1.085 120 I CA 1.133 62.533 61.300 0.166 0.000 1.347 120 I CB -1.735 36.298 38.000 0.054 0.000 1.044 120 I HN 0.590 nan 8.210 nan 0.000 0.408 121 A N 0.186 123.107 122.820 0.169 0.000 1.940 121 A HA -0.255 2.067 4.320 -3.330 0.000 0.219 121 A C 2.370 180.071 177.584 0.195 0.000 1.176 121 A CA 1.922 54.052 52.037 0.155 0.000 0.631 121 A CB -0.699 18.364 19.000 0.105 0.000 0.814 121 A HN 0.513 nan 8.150 nan 0.000 0.446 122 E N -1.620 118.721 120.200 0.235 0.000 2.077 122 E HA -0.228 2.125 4.350 -3.330 0.000 0.193 122 E C 1.811 178.661 176.600 0.417 0.000 0.989 122 E CA 1.425 58.017 56.400 0.321 0.000 0.800 122 E CB -0.324 29.535 29.700 0.266 0.000 0.746 122 E HN 0.735 nan 8.360 nan 0.000 0.452 123 Y N 1.585 122.062 120.300 0.295 0.000 2.181 123 Y HA -0.183 2.368 4.550 -3.332 0.000 0.288 123 Y C 1.739 177.851 175.900 0.353 0.000 1.146 123 Y CA 2.044 60.353 58.100 0.349 0.000 1.164 123 Y CB -0.043 38.581 38.460 0.272 0.000 0.982 123 Y HN 0.069 nan 8.280 nan 0.000 0.515 124 E N 0.032 120.321 120.200 0.148 0.000 2.072 124 E HA -0.252 2.101 4.350 -3.330 0.000 0.191 124 E C 2.129 178.707 176.600 -0.036 0.000 0.985 124 E CA 1.323 57.736 56.400 0.022 0.000 0.801 124 E CB -0.294 29.487 29.700 0.135 0.000 0.750 124 E HN 0.732 nan 8.360 nan 0.000 0.452 125 E N 0.312 120.512 120.200 -0.000 0.000 2.106 125 E HA -0.191 2.161 4.350 -3.330 0.000 0.192 125 E C 1.524 177.963 176.600 -0.267 0.000 0.984 125 E CA 0.971 57.290 56.400 -0.136 0.000 0.806 125 E CB -0.115 29.488 29.700 -0.162 0.000 0.750 125 E HN 0.325 nan 8.360 nan 0.000 0.458 126 W N -0.862 120.346 121.300 -0.154 0.000 2.737 126 W HA 0.096 2.757 4.660 -3.332 0.000 0.262 126 W C 1.020 177.196 176.519 -0.572 0.000 1.282 126 W CA 0.095 57.257 57.345 -0.304 0.000 1.386 126 W CB 0.195 29.492 29.460 -0.272 0.000 1.099 126 W HN 0.124 nan 8.180 nan 0.000 0.621 127 Y N -0.228 119.940 120.300 -0.219 0.000 2.481 127 Y HA 0.333 2.883 4.550 -3.334 0.000 0.247 127 Y C 1.853 177.654 175.900 -0.166 0.000 1.151 127 Y CA 0.280 58.171 58.100 -0.349 0.000 1.238 127 Y CB 0.396 38.409 38.460 -0.745 0.000 1.179 127 Y HN -0.031 nan 8.280 nan 0.000 0.524 128 G N 1.326 110.090 108.800 -0.061 0.000 2.179 128 G HA2 -0.270 1.692 3.960 -3.330 0.000 0.257 128 G HA3 -0.270 1.692 3.960 -3.330 0.000 0.257 128 G C -0.103 174.816 174.900 0.032 0.000 1.010 128 G CA 0.661 45.754 45.100 -0.012 0.000 0.736 128 G HN 0.483 nan 8.290 nan 0.000 0.513 129 Q N -2.241 117.578 119.800 0.033 0.000 2.527 129 Q HA 0.625 2.967 4.340 -3.330 0.000 0.280 129 Q C -3.404 172.692 176.000 0.160 0.000 0.977 129 Q CA -2.153 53.702 55.803 0.087 0.000 0.837 129 Q CB 1.208 30.011 28.738 0.108 0.000 1.454 129 Q HN 0.105 nan 8.270 nan 0.000 0.387 130 P HA -0.022 nan 4.420 nan 0.000 0.270 130 P C -1.025 176.470 177.300 0.326 0.000 1.223 130 P CA -0.064 63.170 63.100 0.223 0.000 0.785 130 P CB 0.362 32.148 31.700 0.143 0.000 0.923 131 H N 2.654 121.868 119.070 0.240 0.000 2.819 131 H HA 0.129 2.688 4.556 -3.328 0.000 0.303 131 H C 0.398 175.734 175.328 0.014 0.000 1.058 131 H CA 0.458 56.540 56.048 0.055 0.000 1.471 131 H CB 0.564 30.316 29.762 -0.017 0.000 1.480 131 H HN 0.297 nan 8.280 nan 0.000 0.517 132 K N 3.334 123.792 120.400 0.096 0.000 2.446 132 K HA 0.304 2.626 4.320 -3.330 0.000 0.203 132 K C 0.031 176.733 176.600 0.171 0.000 1.027 132 K CA 0.238 56.592 56.287 0.112 0.000 1.166 132 K CB 0.810 33.329 32.500 0.031 0.000 0.869 132 K HN 0.482 nan 8.250 nan 0.000 0.504 133 A N 0.366 123.408 122.820 0.369 0.000 3.165 133 A HA 0.156 2.479 4.320 -3.330 0.000 0.212 133 A C 0.953 178.680 177.584 0.238 0.000 0.935 133 A CA -0.405 51.827 52.037 0.325 0.000 1.100 133 A CB -0.175 19.103 19.000 0.464 0.000 1.260 133 A HN 0.022 nan 8.150 nan 0.000 0.532 134 V N 0.276 120.216 119.914 0.043 0.000 2.278 134 V HA -0.278 1.844 4.120 -3.330 0.000 0.251 134 V C 2.602 178.632 176.094 -0.107 0.000 1.062 134 V CA 2.551 64.733 62.300 -0.197 0.000 1.038 134 V CB -0.379 31.385 31.823 -0.099 0.000 0.646 134 V HN 0.645 nan 8.190 nan 0.000 0.447 135 E N -0.394 119.790 120.200 -0.026 0.000 2.047 135 E HA -0.163 2.190 4.350 -3.330 0.000 0.191 135 E C 2.096 178.682 176.600 -0.023 0.000 0.987 135 E CA 0.991 57.377 56.400 -0.023 0.000 0.799 135 E CB -0.627 29.067 29.700 -0.010 0.000 0.752 135 E HN 0.474 nan 8.360 nan 0.000 0.449 136 L N 1.642 122.863 121.223 -0.002 0.000 2.127 136 L HA -0.225 2.117 4.340 -3.330 0.000 0.211 136 L C 2.374 179.206 176.870 -0.064 0.000 1.089 136 L CA 1.749 56.560 54.840 -0.049 0.000 0.757 136 L CB -0.643 41.381 42.059 -0.058 0.000 0.899 136 L HN 0.043 nan 8.230 nan 0.000 0.434 137 Q N 0.398 120.218 119.800 0.033 0.000 2.152 137 Q HA -0.248 2.094 4.340 -3.330 0.000 0.206 137 Q C 1.905 177.906 176.000 0.003 0.000 0.985 137 Q CA 2.068 57.916 55.803 0.075 0.000 0.863 137 Q CB -0.214 28.514 28.738 -0.017 0.000 0.904 137 Q HN 0.630 nan 8.270 nan 0.000 0.422 138 K N 0.227 120.610 120.400 -0.029 0.000 2.504 138 K HA -0.103 2.219 4.320 -3.330 0.000 0.195 138 K C 1.158 177.741 176.600 -0.029 0.000 1.036 138 K CA 1.215 57.487 56.287 -0.025 0.000 0.984 138 K CB 0.038 32.520 32.500 -0.028 0.000 0.788 138 K HN 0.555 nan 8.250 nan 0.000 0.488 139 E N 0.607 120.777 120.200 -0.049 0.000 2.498 139 E HA 0.074 2.427 4.350 -3.330 0.000 0.203 139 E C -0.222 176.339 176.600 -0.066 0.000 1.013 139 E CA -0.247 56.120 56.400 -0.056 0.000 0.927 139 E CB 0.394 30.051 29.700 -0.071 0.000 1.012 139 E HN -0.124 nan 8.360 nan 0.000 0.482 140 V N 1.923 121.800 119.914 -0.062 0.000 2.583 140 V HA 0.135 2.258 4.120 -3.330 0.000 0.287 140 V C 0.118 176.219 176.094 0.013 0.000 1.051 140 V CA -0.577 61.691 62.300 -0.054 0.000 1.010 140 V CB 1.525 33.325 31.823 -0.039 0.000 0.988 140 V HN 0.075 nan 8.190 nan 0.000 0.478 141 V N 4.616 124.543 119.914 0.022 0.000 2.459 141 V HA 0.289 2.411 4.120 -3.330 0.000 0.295 141 V C -0.569 175.598 176.094 0.123 0.000 1.029 141 V CA -0.859 61.480 62.300 0.066 0.000 0.874 141 V CB 1.581 33.424 31.823 0.034 0.000 0.985 141 V HN 0.731 nan 8.190 nan 0.000 0.438 142 Y N 3.150 123.459 120.300 0.016 0.000 2.569 142 Y HA 0.373 2.926 4.550 -3.330 0.000 0.332 142 Y C 1.282 177.196 175.900 0.023 0.000 1.120 142 Y CA -0.230 57.884 58.100 0.023 0.000 1.416 142 Y CB 1.134 39.607 38.460 0.021 0.000 1.210 142 Y HN 0.710 nan 8.280 nan 0.000 0.528 143 G N 6.743 115.350 108.800 -0.321 0.000 3.414 143 G HA2 0.067 2.030 3.960 -3.330 0.000 0.258 143 G HA3 0.067 2.030 3.960 -3.330 0.000 0.258 143 G C -0.224 174.497 174.900 -0.298 0.000 1.348 143 G CA -0.382 44.569 45.100 -0.249 0.000 1.319 143 G HN 0.545 nan 8.290 nan 0.000 0.555 144 L N 2.004 123.030 121.223 -0.328 0.000 2.395 144 L HA 0.250 2.592 4.340 -3.330 0.000 0.268 144 L C 1.764 178.624 176.870 -0.018 0.000 1.223 144 L CA 0.104 54.848 54.840 -0.160 0.000 1.093 144 L CB -0.704 41.346 42.059 -0.015 0.000 1.349 144 L HN 0.192 nan 8.230 nan 0.000 0.427 145 T N 1.141 115.685 114.554 -0.016 0.000 2.564 145 T HA -0.309 2.043 4.350 -3.330 0.000 0.264 145 T C 1.391 176.145 174.700 0.090 0.000 1.100 145 T CA 2.275 64.400 62.100 0.042 0.000 1.171 145 T CB -0.156 68.744 68.868 0.055 0.000 0.863 145 T HN 0.545 nan 8.240 nan 0.000 0.430 146 E N 0.294 120.571 120.200 0.127 0.000 2.267 146 E HA -0.038 2.314 4.350 -3.330 0.000 0.197 146 E C 2.038 178.737 176.600 0.166 0.000 0.998 146 E CA 0.606 57.119 56.400 0.189 0.000 0.830 146 E CB -0.222 29.664 29.700 0.310 0.000 0.751 146 E HN 0.486 nan 8.360 nan 0.000 0.491 147 I N -0.877 119.776 120.570 0.139 0.000 2.729 147 I HA -0.013 2.159 4.170 -3.330 0.000 0.256 147 I C 1.387 177.554 176.117 0.084 0.000 1.115 147 I CA 0.783 62.151 61.300 0.113 0.000 1.446 147 I CB -0.373 37.707 38.000 0.132 0.000 1.176 147 I HN 0.078 nan 8.210 nan 0.000 0.446 148 L N 0.587 121.861 121.223 0.085 0.000 2.928 148 L HA 0.264 2.606 4.340 -3.330 0.000 0.246 148 L C 2.070 178.974 176.870 0.056 0.000 1.239 148 L CA -0.095 54.788 54.840 0.072 0.000 1.035 148 L CB -0.024 42.091 42.059 0.093 0.000 1.360 148 L HN 0.143 nan 8.230 nan 0.000 0.529 149 R N 1.016 121.552 120.500 0.059 0.000 2.133 149 R HA -0.235 2.107 4.340 -3.330 0.000 0.245 149 R C 1.803 178.129 176.300 0.043 0.000 1.137 149 R CA 2.029 58.163 56.100 0.056 0.000 0.947 149 R CB 0.135 30.473 30.300 0.064 0.000 0.865 149 R HN 0.325 nan 8.270 nan 0.000 0.437 150 E N 0.442 120.664 120.200 0.036 0.000 2.118 150 E HA -0.181 2.171 4.350 -3.330 0.000 0.195 150 E C 1.671 178.284 176.600 0.022 0.000 0.992 150 E CA 1.271 57.687 56.400 0.026 0.000 0.804 150 E CB -0.254 29.458 29.700 0.020 0.000 0.741 150 E HN 0.504 nan 8.360 nan 0.000 0.458 151 D N 0.244 120.660 120.400 0.026 0.000 2.162 151 D HA -0.020 2.622 4.640 -3.330 0.000 0.203 151 D C 2.202 178.513 176.300 0.019 0.000 0.967 151 D CA 0.349 54.362 54.000 0.022 0.000 0.840 151 D CB -0.060 40.757 40.800 0.029 0.000 0.972 151 D HN 0.209 nan 8.370 nan 0.000 0.482 152 I N 2.124 122.709 120.570 0.026 0.000 2.226 152 I HA -0.285 1.887 4.170 -3.330 0.000 0.245 152 I C 2.490 178.617 176.117 0.016 0.000 1.100 152 I CA 1.144 62.456 61.300 0.020 0.000 1.374 152 I CB -0.321 37.694 38.000 0.027 0.000 1.057 152 I HN 0.049 nan 8.210 nan 0.000 0.413 153 K N 2.243 122.658 120.400 0.024 0.000 2.160 153 K HA -0.209 2.114 4.320 -3.330 0.000 0.206 153 K C 1.418 178.023 176.600 0.008 0.000 1.047 153 K CA 1.633 57.934 56.287 0.024 0.000 0.930 153 K CB -0.470 32.046 32.500 0.028 0.000 0.720 153 K HN 0.488 nan 8.250 nan 0.000 0.450 154 K N 0.394 120.794 120.400 0.001 0.000 2.440 154 K HA 0.404 2.726 4.320 -3.330 0.000 0.206 154 K C 0.015 176.603 176.600 -0.019 0.000 1.025 154 K CA -0.293 55.989 56.287 -0.009 0.000 1.135 154 K CB 0.893 33.388 32.500 -0.008 0.000 0.856 154 K HN 0.094 nan 8.250 nan 0.000 0.502 155 A N 1.546 124.353 122.820 -0.022 0.000 2.293 155 A HA 0.353 2.676 4.320 -3.330 0.000 0.302 155 A C 0.626 178.176 177.584 -0.057 0.000 1.119 155 A CA -0.770 51.245 52.037 -0.037 0.000 0.823 155 A CB 1.167 20.148 19.000 -0.031 0.000 1.097 155 A HN 0.372 nan 8.150 nan 0.000 0.491 156 R N 0.257 120.712 120.500 -0.076 0.000 2.146 156 R HA 0.219 2.562 4.340 -3.330 0.000 0.206 156 R C -0.505 175.720 176.300 -0.125 0.000 1.049 156 R CA 0.356 56.397 56.100 -0.098 0.000 1.029 156 R CB 0.023 30.263 30.300 -0.100 0.000 0.949 156 R HN 0.542 nan 8.270 nan 0.000 0.471 157 L N 1.743 122.885 121.223 -0.135 0.000 2.319 157 L HA 0.440 2.783 4.340 -3.330 0.000 0.281 157 L C -1.475 175.320 176.870 -0.126 0.000 1.005 157 L CA -0.614 54.124 54.840 -0.170 0.000 0.828 157 L CB 1.972 43.873 42.059 -0.262 0.000 1.227 157 L HN -0.238 nan 8.230 nan 0.000 0.415 158 V N 4.599 124.457 119.914 -0.093 0.000 2.495 158 V HA 0.751 2.873 4.120 -3.330 0.000 0.298 158 V C 0.218 176.309 176.094 -0.005 0.000 1.031 158 V CA -0.553 61.722 62.300 -0.041 0.000 0.871 158 V CB 1.650 33.452 31.823 -0.034 0.000 0.988 158 V HN 0.912 nan 8.190 nan 0.000 0.432 159 A N 3.836 126.682 122.820 0.044 0.000 2.316 159 A HA 0.467 2.789 4.320 -3.330 0.000 0.311 159 A C 0.132 177.722 177.584 0.011 0.000 1.339 159 A CA -0.298 51.803 52.037 0.105 0.000 0.960 159 A CB -0.414 18.721 19.000 0.226 0.000 1.152 159 A HN 0.842 nan 8.150 nan 0.000 0.547 160 N N 3.335 122.037 118.700 0.002 0.000 2.468 160 N HA 0.306 3.048 4.740 -3.330 0.000 0.265 160 N C -2.557 172.885 175.510 -0.114 0.000 1.199 160 N CA -0.990 52.016 53.050 -0.075 0.000 0.928 160 N CB 0.574 39.059 38.487 -0.003 0.000 1.059 160 N HN 0.320 nan 8.380 nan 0.000 0.467 161 P HA 0.115 nan 4.420 nan 0.000 0.270 161 P C 0.052 177.305 177.300 -0.078 0.000 1.227 161 P CA -0.306 62.646 63.100 -0.247 0.000 0.788 161 P CB 0.428 31.834 31.700 -0.491 0.000 0.926 162 G N -0.565 108.199 108.800 -0.061 0.000 2.616 162 G HA2 0.219 2.182 3.960 -3.330 0.000 0.268 162 G HA3 0.219 2.182 3.960 -3.330 0.000 0.268 162 G C 1.265 176.088 174.900 -0.128 0.000 1.213 162 G CA -0.345 44.684 45.100 -0.118 0.000 0.926 162 G HN 0.711 nan 8.290 nan 0.000 0.523 163 C N -1.302 117.970 119.300 -0.047 0.000 2.496 163 C HA -0.045 2.417 4.460 -3.330 0.000 0.281 163 C C 2.240 177.199 174.990 -0.053 0.000 1.250 163 C CA 0.937 59.914 59.018 -0.068 0.000 1.717 163 C CB -1.577 26.102 27.740 -0.100 0.000 2.082 163 C HN 0.615 nan 8.230 nan 0.000 0.472 164 Y N 2.765 123.103 120.300 0.064 0.000 2.081 164 Y HA -0.039 2.517 4.550 -3.324 0.000 0.280 164 Y C 0.206 176.046 175.900 -0.101 0.000 1.163 164 Y CA 2.354 60.494 58.100 0.067 0.000 1.135 164 Y CB -2.281 36.343 38.460 0.274 0.000 0.970 164 Y HN 0.262 nan 8.280 nan 0.000 0.498 165 P HA -0.156 nan 4.420 nan 0.000 0.216 165 P C 1.590 178.884 177.300 -0.010 0.000 1.150 165 P CA 2.495 65.532 63.100 -0.105 0.000 0.843 165 P CB -0.127 31.488 31.700 -0.142 0.000 0.787 166 T N -1.061 113.484 114.554 -0.016 0.000 2.708 166 T HA -0.149 2.203 4.350 -3.330 0.000 0.266 166 T C 1.839 176.544 174.700 0.009 0.000 1.037 166 T CA 2.225 64.320 62.100 -0.010 0.000 1.146 166 T CB -1.295 67.543 68.868 -0.050 0.000 0.865 166 T HN 0.335 nan 8.240 nan 0.000 0.435 167 T N 0.255 114.826 114.554 0.027 0.000 2.962 167 T HA 0.078 2.430 4.350 -3.330 0.000 0.270 167 T C 1.915 176.649 174.700 0.057 0.000 1.088 167 T CA 0.718 62.846 62.100 0.046 0.000 1.127 167 T CB -0.523 68.399 68.868 0.090 0.000 0.883 167 T HN 0.376 nan 8.240 nan 0.000 0.493 168 I N 0.432 121.032 120.570 0.051 0.000 2.556 168 I HA 0.015 2.187 4.170 -3.330 0.000 0.251 168 I C 2.975 179.117 176.117 0.042 0.000 1.105 168 I CA 0.634 61.958 61.300 0.041 0.000 1.436 168 I CB -0.234 37.764 38.000 -0.003 0.000 1.139 168 I HN 0.178 nan 8.210 nan 0.000 0.438 169 Q N 0.745 120.572 119.800 0.044 0.000 2.119 169 Q HA -0.109 2.233 4.340 -3.330 0.000 0.201 169 Q C 2.377 178.438 176.000 0.101 0.000 0.972 169 Q CA 1.234 57.078 55.803 0.069 0.000 0.847 169 Q CB -0.056 28.738 28.738 0.093 0.000 0.903 169 Q HN 0.484 nan 8.270 nan 0.000 0.433 170 L N 1.048 122.324 121.223 0.090 0.000 2.013 170 L HA -0.187 2.155 4.340 -3.330 0.000 0.212 170 L C -0.507 176.470 176.870 0.179 0.000 1.073 170 L CA 1.432 56.340 54.840 0.114 0.000 0.753 170 L CB -1.552 40.482 42.059 -0.041 0.000 0.890 170 L HN 0.271 nan 8.230 nan 0.000 0.432 171 P HA -0.108 nan 4.420 nan 0.000 0.217 171 P C 1.891 179.265 177.300 0.123 0.000 1.154 171 P CA 1.316 64.495 63.100 0.132 0.000 0.841 171 P CB 0.152 31.900 31.700 0.080 0.000 0.790 172 L N -0.666 120.614 121.223 0.093 0.000 2.109 172 L HA -0.063 2.279 4.340 -3.330 0.000 0.207 172 L C 2.747 179.658 176.870 0.069 0.000 1.086 172 L CA 0.886 55.771 54.840 0.075 0.000 0.760 172 L CB -1.087 41.008 42.059 0.060 0.000 0.910 172 L HN -0.193 nan 8.230 nan 0.000 0.437 173 V N 0.675 120.636 119.914 0.079 0.000 2.255 173 V HA -0.189 1.934 4.120 -3.330 0.000 0.247 173 V C -0.068 176.051 176.094 0.041 0.000 1.051 173 V CA 2.197 64.533 62.300 0.060 0.000 1.018 173 V CB -1.601 30.268 31.823 0.077 0.000 0.641 173 V HN 0.332 nan 8.190 nan 0.000 0.445 174 P HA -0.123 nan 4.420 nan 0.000 0.216 174 P C 1.902 179.205 177.300 0.004 0.000 1.150 174 P CA 1.401 64.497 63.100 -0.007 0.000 0.837 174 P CB -0.062 31.612 31.700 -0.043 0.000 0.786 175 L N -1.750 119.491 121.223 0.031 0.000 2.093 175 L HA -0.134 2.209 4.340 -3.330 0.000 0.208 175 L C 2.431 179.320 176.870 0.031 0.000 1.085 175 L CA 1.237 56.097 54.840 0.033 0.000 0.755 175 L CB -0.890 41.199 42.059 0.049 0.000 0.904 175 L HN -0.020 nan 8.230 nan 0.000 0.435 176 L N -0.194 121.049 121.223 0.033 0.000 2.072 176 L HA -0.185 2.157 4.340 -3.330 0.000 0.205 176 L C 2.691 179.568 176.870 0.011 0.000 1.079 176 L CA 1.117 55.974 54.840 0.028 0.000 0.752 176 L CB -0.386 41.687 42.059 0.023 0.000 0.906 176 L HN 0.225 nan 8.230 nan 0.000 0.436 177 K N 0.497 120.899 120.400 0.003 0.000 2.152 177 K HA -0.158 2.164 4.320 -3.330 0.000 0.206 177 K C 1.675 178.272 176.600 -0.006 0.000 1.048 177 K CA 1.387 57.670 56.287 -0.006 0.000 0.933 177 K CB -0.008 32.485 32.500 -0.013 0.000 0.721 177 K HN 0.289 nan 8.250 nan 0.000 0.447 178 A N 0.803 123.621 122.820 -0.002 0.000 2.307 178 A HA 0.076 2.398 4.320 -3.330 0.000 0.218 178 A C -0.143 177.446 177.584 0.009 0.000 1.228 178 A CA -0.029 52.007 52.037 -0.001 0.000 0.857 178 A CB -0.126 18.870 19.000 -0.007 0.000 0.897 178 A HN 0.521 nan 8.150 nan 0.000 0.495 179 N N -0.757 117.953 118.700 0.017 0.000 2.721 179 N HA -0.174 2.568 4.740 -3.330 0.000 0.249 179 N C 0.529 176.059 175.510 0.033 0.000 1.072 179 N CA 1.073 54.140 53.050 0.028 0.000 0.710 179 N CB -1.506 36.996 38.487 0.024 0.000 0.993 179 N HN 0.591 nan 8.380 nan 0.000 0.547 180 L N -0.356 120.886 121.223 0.032 0.000 2.446 180 L HA 0.222 2.565 4.340 -3.330 0.000 0.219 180 L C 1.294 178.190 176.870 0.044 0.000 1.116 180 L CA 0.637 55.498 54.840 0.034 0.000 0.844 180 L CB -0.015 42.062 42.059 0.030 0.000 0.970 180 L HN 0.301 nan 8.230 nan 0.000 0.457 181 I N -3.948 116.654 120.570 0.053 0.000 2.828 181 I HA 0.414 2.586 4.170 -3.330 0.000 0.302 181 I C -0.667 175.497 176.117 0.078 0.000 1.101 181 I CA -1.065 60.272 61.300 0.062 0.000 1.031 181 I CB 1.921 39.960 38.000 0.066 0.000 1.231 181 I HN -0.169 nan 8.210 nan 0.000 0.427 182 K N 2.723 123.164 120.400 0.069 0.000 2.168 182 K HA 0.216 2.538 4.320 -3.330 0.000 0.258 182 K C 0.448 177.109 176.600 0.101 0.000 1.010 182 K CA -0.451 55.877 56.287 0.068 0.000 0.929 182 K CB 0.378 32.883 32.500 0.008 0.000 0.998 182 K HN 0.773 nan 8.250 nan 0.000 0.479 183 H N 0.055 119.142 119.070 0.028 0.000 2.520 183 H HA 0.223 2.781 4.556 -3.330 0.000 0.284 183 H C -0.620 174.728 175.328 0.032 0.000 1.037 183 H CA -0.210 55.855 56.048 0.029 0.000 1.168 183 H CB 0.367 30.142 29.762 0.023 0.000 1.497 183 H HN 0.457 nan 8.280 nan 0.000 0.547 184 E N 1.211 121.305 120.200 -0.176 0.000 2.222 184 E HA 0.212 2.565 4.350 -3.330 0.000 0.272 184 E C 0.176 176.762 176.600 -0.023 0.000 0.982 184 E CA -0.766 55.560 56.400 -0.124 0.000 0.842 184 E CB 0.782 30.378 29.700 -0.172 0.000 1.144 184 E HN 0.166 nan 8.360 nan 0.000 0.397 185 N N 1.046 119.748 118.700 0.004 0.000 2.735 185 N HA -0.220 2.522 4.740 -3.330 0.000 0.248 185 N C -0.884 174.663 175.510 0.062 0.000 1.083 185 N CA 0.681 53.749 53.050 0.030 0.000 0.703 185 N CB -1.406 37.091 38.487 0.017 0.000 1.005 185 N HN 0.485 nan 8.380 nan 0.000 0.550 186 I N 1.497 122.111 120.570 0.074 0.000 2.363 186 I HA 0.189 2.361 4.170 -3.330 0.000 0.292 186 I C 0.806 176.995 176.117 0.120 0.000 1.075 186 I CA -0.062 61.298 61.300 0.100 0.000 1.333 186 I CB 0.359 38.414 38.000 0.092 0.000 1.415 186 I HN 0.012 nan 8.210 nan 0.000 0.502 187 I N 7.893 128.562 120.570 0.164 0.000 2.354 187 I HA 0.398 2.570 4.170 -3.330 0.000 0.292 187 I C -0.306 175.967 176.117 0.261 0.000 0.989 187 I CA -0.511 60.902 61.300 0.189 0.000 1.188 187 I CB 1.546 39.639 38.000 0.155 0.000 1.342 187 I HN 0.396 nan 8.210 nan 0.000 0.457 188 I N 5.474 126.177 120.570 0.222 0.000 2.382 188 I HA 0.247 2.420 4.170 -3.330 0.000 0.286 188 I C -0.428 175.796 176.117 0.178 0.000 1.002 188 I CA -0.320 61.116 61.300 0.227 0.000 1.135 188 I CB 1.505 39.677 38.000 0.286 0.000 1.288 188 I HN 0.501 nan 8.210 nan 0.000 0.448 189 D N 6.840 127.345 120.400 0.175 0.000 2.460 189 D HA 0.518 3.161 4.640 -3.330 0.000 0.232 189 D C -0.691 175.641 176.300 0.053 0.000 1.079 189 D CA -0.128 53.933 54.000 0.102 0.000 0.864 189 D CB 1.561 42.441 40.800 0.133 0.000 1.048 189 D HN 0.597 nan 8.370 nan 0.000 0.523 190 A N 3.397 126.227 122.820 0.016 0.000 2.294 190 A HA 0.731 3.054 4.320 -3.330 0.000 0.330 190 A C -0.512 177.192 177.584 0.200 0.000 1.133 190 A CA -0.618 51.485 52.037 0.109 0.000 0.836 190 A CB 1.038 20.104 19.000 0.109 0.000 1.190 190 A HN 0.429 nan 8.150 nan 0.000 0.492 191 K N 0.167 120.749 120.400 0.304 0.000 2.422 191 K HA 0.736 3.058 4.320 -3.330 0.000 0.251 191 K C -0.804 175.985 176.600 0.316 0.000 0.933 191 K CA -0.342 56.115 56.287 0.284 0.000 0.798 191 K CB 2.102 34.681 32.500 0.130 0.000 1.238 191 K HN 0.636 nan 8.250 nan 0.000 0.428 192 S N 0.271 116.146 115.700 0.290 0.000 2.541 192 S HA 0.727 3.200 4.470 -3.330 0.000 0.271 192 S C -0.591 174.066 174.600 0.095 0.000 1.133 192 S CA -0.657 57.628 58.200 0.141 0.000 0.876 192 S CB 1.119 64.363 63.200 0.073 0.000 1.105 192 S HN 0.729 nan 8.310 nan 0.000 0.470 193 G N 1.074 109.883 108.800 0.015 0.000 2.569 193 G HA2 0.346 2.308 3.960 -3.330 0.000 0.249 193 G HA3 0.346 2.308 3.960 -3.330 0.000 0.249 193 G C 1.015 175.913 174.900 -0.002 0.000 1.216 193 G CA -0.151 44.943 45.100 -0.009 0.000 0.845 193 G HN 0.953 nan 8.290 nan 0.000 0.568 194 V N 1.410 121.316 119.914 -0.014 0.000 3.078 194 V HA -0.132 1.990 4.120 -3.330 0.000 0.265 194 V C 2.767 178.875 176.094 0.022 0.000 1.122 194 V CA 2.341 64.634 62.300 -0.011 0.000 1.141 194 V CB -0.572 31.236 31.823 -0.025 0.000 0.735 194 V HN 0.894 nan 8.190 nan 0.000 0.498 195 S N -0.004 115.695 115.700 -0.000 0.000 2.442 195 S HA -0.076 2.396 4.470 -3.330 0.000 0.236 195 S C 1.995 176.664 174.600 0.115 0.000 1.007 195 S CA 1.201 59.412 58.200 0.020 0.000 0.965 195 S CB -0.808 62.310 63.200 -0.137 0.000 0.773 195 S HN 0.656 nan 8.310 nan 0.000 0.504 196 G N 0.852 109.687 108.800 0.059 0.000 2.509 196 G HA2 0.218 2.180 3.960 -3.330 0.000 0.218 196 G HA3 0.218 2.180 3.960 -3.330 0.000 0.218 196 G C 1.351 176.314 174.900 0.104 0.000 1.124 196 G CA 0.419 45.565 45.100 0.077 0.000 0.776 196 G HN 0.770 nan 8.290 nan 0.000 0.547 197 A N -0.380 122.489 122.820 0.082 0.000 2.208 197 A HA 0.533 2.856 4.320 -3.330 0.000 0.209 197 A C 1.536 179.166 177.584 0.077 0.000 1.161 197 A CA 1.278 53.347 52.037 0.052 0.000 0.782 197 A CB -0.480 18.514 19.000 -0.009 0.000 0.816 197 A HN 1.713 nan 8.150 nan 0.000 0.477 198 G N -1.128 107.758 108.800 0.144 0.000 2.757 198 G HA2 -0.193 1.769 3.960 -3.330 0.000 0.638 198 G HA3 -0.193 1.769 3.960 -3.330 0.000 0.638 198 G C 0.255 175.114 174.900 -0.068 0.000 1.344 198 G CA -0.016 45.118 45.100 0.056 0.000 0.855 198 G HN 0.443 nan 8.290 nan 0.000 0.537 199 R N 0.282 120.519 120.500 -0.439 0.000 2.334 199 R HA 0.277 2.619 4.340 -3.330 0.000 0.220 199 R C 1.640 177.836 176.300 -0.173 0.000 0.917 199 R CA 0.683 56.505 56.100 -0.464 0.000 1.073 199 R CB -0.572 29.238 30.300 -0.816 0.000 1.056 199 R HN 1.067 nan 8.270 nan 0.000 0.506 200 G N 0.380 109.117 108.800 -0.105 0.000 2.305 200 G HA2 0.149 2.112 3.960 -3.330 0.000 0.243 200 G HA3 0.149 2.112 3.960 -3.330 0.000 0.243 200 G C -0.088 174.794 174.900 -0.031 0.000 1.288 200 G CA -0.147 44.919 45.100 -0.056 0.000 0.901 200 G HN 0.334 nan 8.290 nan 0.000 0.516 201 A N 3.362 126.165 122.820 -0.028 0.000 2.899 201 A HA 0.368 2.691 4.320 -3.330 0.000 0.287 201 A C 0.762 178.343 177.584 -0.005 0.000 1.715 201 A CA 0.031 52.061 52.037 -0.012 0.000 1.393 201 A CB -0.265 18.725 19.000 -0.016 0.000 1.070 201 A HN 0.620 nan 8.150 nan 0.000 0.587 202 K N 0.911 121.310 120.400 -0.001 0.000 2.270 202 K HA 0.239 2.561 4.320 -3.330 0.000 0.255 202 K C 0.714 177.315 176.600 0.003 0.000 0.936 202 K CA -0.654 55.632 56.287 -0.001 0.000 0.809 202 K CB 2.151 34.648 32.500 -0.006 0.000 1.131 202 K HN 0.628 nan 8.250 nan 0.000 0.427 203 E N 2.391 122.592 120.200 0.002 0.000 2.086 203 E HA -0.295 2.058 4.350 -3.330 0.000 0.200 203 E C 1.555 178.156 176.600 0.001 0.000 1.012 203 E CA 1.916 58.318 56.400 0.004 0.000 0.812 203 E CB 0.020 29.721 29.700 0.002 0.000 0.743 203 E HN 0.761 nan 8.360 nan 0.000 0.453 204 A N 0.870 123.685 122.820 -0.008 0.000 2.076 204 A HA -0.163 2.159 4.320 -3.330 0.000 0.220 204 A C 1.533 179.103 177.584 -0.024 0.000 1.160 204 A CA 1.480 53.506 52.037 -0.019 0.000 0.653 204 A CB -0.267 18.716 19.000 -0.028 0.000 0.801 204 A HN 0.272 nan 8.150 nan 0.000 0.455 205 N N -0.422 118.270 118.700 -0.013 0.000 2.235 205 N HA 0.232 2.974 4.740 -3.330 0.000 0.209 205 N C -0.192 175.328 175.510 0.016 0.000 1.122 205 N CA -0.030 53.015 53.050 -0.008 0.000 0.845 205 N CB 0.099 38.588 38.487 0.003 0.000 1.004 205 N HN 0.419 nan 8.380 nan 0.000 0.499 206 L N 0.356 121.593 121.223 0.023 0.000 2.467 206 L HA 0.001 2.343 4.340 -3.330 0.000 0.270 206 L C 1.875 178.784 176.870 0.065 0.000 1.205 206 L CA -0.316 54.560 54.840 0.059 0.000 0.828 206 L CB 0.386 42.479 42.059 0.057 0.000 1.101 206 L HN 0.075 nan 8.230 nan 0.000 0.479 207 Y N 1.497 121.805 120.300 0.013 0.000 2.114 207 Y HA -0.321 2.226 4.550 -3.339 0.000 0.282 207 Y C 2.484 178.388 175.900 0.008 0.000 1.165 207 Y CA 2.190 60.296 58.100 0.010 0.000 1.148 207 Y CB 0.006 38.472 38.460 0.010 0.000 0.972 207 Y HN 0.670 nan 8.280 nan 0.000 0.504 208 S N 0.068 115.909 115.700 0.236 0.000 2.440 208 S HA -0.161 2.312 4.470 -3.330 0.000 0.238 208 S C 1.671 176.287 174.600 0.026 0.000 1.010 208 S CA 1.375 59.664 58.200 0.149 0.000 0.972 208 S CB -0.189 63.086 63.200 0.126 0.000 0.774 208 S HN 0.534 nan 8.310 nan 0.000 0.501 209 E N 0.351 120.548 120.200 -0.005 0.000 2.216 209 E HA 0.130 2.483 4.350 -3.330 0.000 0.192 209 E C 1.799 178.360 176.600 -0.066 0.000 0.973 209 E CA 0.376 56.760 56.400 -0.026 0.000 0.851 209 E CB 0.001 29.693 29.700 -0.013 0.000 0.804 209 E HN 0.410 nan 8.360 nan 0.000 0.477 210 I N 1.240 121.739 120.570 -0.119 0.000 2.429 210 I HA 0.056 2.228 4.170 -3.330 0.000 0.247 210 I C 1.297 177.290 176.117 -0.207 0.000 1.099 210 I CA 0.151 61.362 61.300 -0.148 0.000 1.422 210 I CB -1.236 36.672 38.000 -0.153 0.000 1.112 210 I HN -0.207 nan 8.210 nan 0.000 0.430 211 A N 1.478 124.068 122.820 -0.384 0.000 2.561 211 A HA -0.010 2.313 4.320 -3.330 0.000 0.234 211 A C 0.800 178.282 177.584 -0.169 0.000 1.055 211 A CA 0.206 51.999 52.037 -0.406 0.000 0.756 211 A CB -0.133 18.389 19.000 -0.797 0.000 0.986 211 A HN 0.495 nan 8.150 nan 0.000 0.505 212 E N -1.004 119.133 120.200 -0.104 0.000 2.416 212 E HA -0.182 2.170 4.350 -3.330 0.000 0.249 212 E C 0.212 176.797 176.600 -0.026 0.000 1.124 212 E CA 1.589 57.966 56.400 -0.037 0.000 0.732 212 E CB -2.008 27.686 29.700 -0.010 0.000 1.286 212 E HN 1.858 nan 8.360 nan 0.000 0.394 213 G N -0.570 108.213 108.800 -0.029 0.000 2.387 213 G HA2 0.581 2.543 3.960 -3.330 0.000 0.294 213 G HA3 0.581 2.543 3.960 -3.330 0.000 0.294 213 G C -0.647 174.254 174.900 0.001 0.000 1.509 213 G CA -0.367 44.727 45.100 -0.009 0.000 0.806 213 G HN 0.282 nan 8.290 nan 0.000 0.546 214 I N -1.974 118.611 120.570 0.025 0.000 3.174 214 I HA 0.976 3.148 4.170 -3.330 0.000 0.313 214 I C -0.250 175.909 176.117 0.071 0.000 1.155 214 I CA -1.131 60.202 61.300 0.056 0.000 0.977 214 I CB 2.498 40.546 38.000 0.080 0.000 1.248 214 I HN 1.105 nan 8.210 nan 0.000 0.453 215 S N 0.982 116.747 115.700 0.108 0.000 2.578 215 S HA 0.544 3.016 4.470 -3.330 0.000 0.272 215 S C -0.906 173.756 174.600 0.103 0.000 1.145 215 S CA -0.842 57.413 58.200 0.093 0.000 0.835 215 S CB 1.176 64.410 63.200 0.056 0.000 1.104 215 S HN 0.775 nan 8.310 nan 0.000 0.458 216 S N 0.902 116.588 115.700 -0.023 0.000 2.669 216 S HA 0.873 3.346 4.470 -3.330 0.000 0.270 216 S C -0.894 173.692 174.600 -0.023 0.000 1.225 216 S CA -0.488 57.540 58.200 -0.288 0.000 0.991 216 S CB 0.208 63.145 63.200 -0.437 0.000 0.987 216 S HN 1.136 nan 8.310 nan 0.000 0.552 217 Y N -3.597 116.550 120.300 -0.254 0.000 2.641 217 Y HA 0.582 3.140 4.550 -3.319 0.000 0.333 217 Y C 0.114 175.945 175.900 -0.115 0.000 1.174 217 Y CA -0.845 57.180 58.100 -0.124 0.000 1.057 217 Y CB 0.385 38.816 38.460 -0.047 0.000 1.322 217 Y HN 0.897 nan 8.280 nan 0.000 0.457 218 G N 0.928 109.773 108.800 0.075 0.000 2.323 218 G HA2 -0.178 1.784 3.960 -3.330 0.000 0.292 218 G HA3 -0.178 1.784 3.960 -3.330 0.000 0.292 218 G C -0.367 174.479 174.900 -0.090 0.000 1.040 218 G CA 0.054 45.191 45.100 0.061 0.000 0.942 218 G HN 0.904 nan 8.290 nan 0.000 0.506 219 V N 0.049 119.900 119.914 -0.105 0.000 2.715 219 V HA 0.471 2.594 4.120 -3.330 0.000 0.299 219 V C 1.947 178.019 176.094 -0.036 0.000 1.054 219 V CA 1.104 63.330 62.300 -0.122 0.000 1.077 219 V CB 0.749 32.509 31.823 -0.106 0.000 0.972 219 V HN 1.118 nan 8.190 nan 0.000 0.484 220 T N 2.624 117.165 114.554 -0.021 0.000 12.892 220 T HA -0.283 2.069 4.350 -3.330 0.000 0.418 220 T C 0.519 175.295 174.700 0.126 0.000 1.450 220 T CA 1.781 63.904 62.100 0.040 0.000 2.382 220 T CB -0.600 68.281 68.868 0.021 0.000 2.816 220 T HN 0.757 nan 8.240 nan 0.000 0.702 221 R N 1.807 122.392 120.500 0.141 0.000 2.451 221 R HA 0.629 2.971 4.340 -3.330 0.000 0.307 221 R C -0.878 175.604 176.300 0.302 0.000 0.965 221 R CA -0.692 55.581 56.100 0.288 0.000 0.865 221 R CB 1.641 32.026 30.300 0.141 0.000 1.174 221 R HN 0.471 nan 8.270 nan 0.000 0.455 222 H N 2.497 121.740 119.070 0.289 0.000 2.771 222 H HA 0.244 2.800 4.556 -3.334 0.000 0.361 222 H C 0.266 175.659 175.328 0.110 0.000 1.108 222 H CA -0.633 55.516 56.048 0.168 0.000 1.201 222 H CB 1.589 31.428 29.762 0.129 0.000 1.681 222 H HN 0.525 nan 8.280 nan 0.000 0.534 223 R N 1.422 121.730 120.500 -0.320 0.000 2.261 223 R HA -0.130 2.213 4.340 -3.330 0.000 0.236 223 R C 1.140 177.428 176.300 -0.020 0.000 1.141 223 R CA 1.335 57.293 56.100 -0.238 0.000 1.001 223 R CB -0.055 29.992 30.300 -0.422 0.000 0.866 223 R HN 0.666 nan 8.270 nan 0.000 0.468 224 H N -0.859 118.355 119.070 0.241 0.000 2.529 224 H HA 0.005 2.562 4.556 -3.332 0.000 0.277 224 H C 1.979 177.150 175.328 -0.261 0.000 0.999 224 H CA 0.202 56.281 56.048 0.050 0.000 1.256 224 H CB 0.434 30.253 29.762 0.095 0.000 1.402 224 H HN -0.026 nan 8.280 nan 0.000 0.566 225 V N 2.318 122.119 119.914 -0.187 0.000 2.231 225 V HA -0.238 1.884 4.120 -3.330 0.000 0.248 225 V C -0.351 175.473 176.094 -0.450 0.000 1.054 225 V CA 2.132 64.231 62.300 -0.334 0.000 1.015 225 V CB -1.323 30.319 31.823 -0.301 0.000 0.638 225 V HN 0.467 nan 8.190 nan 0.000 0.444 226 P HA -0.211 nan 4.420 nan 0.000 0.218 226 P C 1.563 178.686 177.300 -0.294 0.000 1.148 226 P CA 1.810 64.569 63.100 -0.568 0.000 0.822 226 P CB 0.085 31.233 31.700 -0.920 0.000 0.784 227 E N 0.023 120.077 120.200 -0.243 0.000 2.072 227 E HA -0.130 2.222 4.350 -3.330 0.000 0.191 227 E C 2.186 178.666 176.600 -0.201 0.000 0.985 227 E CA 0.812 57.110 56.400 -0.169 0.000 0.801 227 E CB -0.413 29.246 29.700 -0.069 0.000 0.750 227 E HN 0.160 nan 8.360 nan 0.000 0.452 228 I N 1.134 121.577 120.570 -0.212 0.000 2.142 228 I HA -0.263 1.909 4.170 -3.330 0.000 0.240 228 I C 2.288 178.318 176.117 -0.145 0.000 1.078 228 I CA 1.393 62.577 61.300 -0.194 0.000 1.343 228 I CB -0.285 37.550 38.000 -0.275 0.000 1.046 228 I HN 0.144 nan 8.210 nan 0.000 0.405 229 E N 0.316 120.431 120.200 -0.142 0.000 2.153 229 E HA -0.296 2.056 4.350 -3.330 0.000 0.194 229 E C 2.099 178.645 176.600 -0.089 0.000 0.988 229 E CA 1.007 57.355 56.400 -0.087 0.000 0.811 229 E CB -0.194 29.468 29.700 -0.063 0.000 0.746 229 E HN 0.536 nan 8.360 nan 0.000 0.466 230 Q N 0.735 120.460 119.800 -0.126 0.000 2.030 230 Q HA -0.159 2.183 4.340 -3.330 0.000 0.204 230 Q C 2.256 178.171 176.000 -0.142 0.000 0.986 230 Q CA 1.888 57.613 55.803 -0.130 0.000 0.843 230 Q CB -0.309 28.326 28.738 -0.171 0.000 0.904 230 Q HN 0.277 nan 8.270 nan 0.000 0.420 231 G N 1.096 109.788 108.800 -0.181 0.000 2.418 231 G HA2 -0.221 1.742 3.960 -3.330 0.000 0.217 231 G HA3 -0.221 1.742 3.960 -3.330 0.000 0.217 231 G C 1.423 176.283 174.900 -0.067 0.000 1.158 231 G CA 0.923 45.939 45.100 -0.139 0.000 0.771 231 G HN 0.329 nan 8.290 nan 0.000 0.545 232 L N 0.590 121.779 121.223 -0.056 0.000 2.056 232 L HA -0.039 2.303 4.340 -3.330 0.000 0.207 232 L C 3.160 180.003 176.870 -0.046 0.000 1.078 232 L CA 1.099 55.921 54.840 -0.031 0.000 0.749 232 L CB -0.533 41.519 42.059 -0.012 0.000 0.901 232 L HN 0.163 nan 8.230 nan 0.000 0.433 233 S N -0.155 115.513 115.700 -0.054 0.000 2.368 233 S HA -0.182 2.291 4.470 -3.330 0.000 0.225 233 S C 1.540 176.100 174.600 -0.067 0.000 1.030 233 S CA 1.362 59.525 58.200 -0.063 0.000 0.999 233 S CB -0.288 62.885 63.200 -0.045 0.000 0.844 233 S HN 0.437 nan 8.310 nan 0.000 0.459 234 D N 1.007 121.372 120.400 -0.058 0.000 2.149 234 D HA -0.072 2.570 4.640 -3.330 0.000 0.198 234 D C 2.017 178.291 176.300 -0.043 0.000 0.990 234 D CA 0.923 54.894 54.000 -0.048 0.000 0.839 234 D CB -0.352 40.421 40.800 -0.046 0.000 0.948 234 D HN 0.270 nan 8.370 nan 0.000 0.460 235 V N 1.163 121.053 119.914 -0.041 0.000 2.407 235 V HA -0.080 2.043 4.120 -3.330 0.000 0.245 235 V C 2.408 178.471 176.094 -0.052 0.000 1.041 235 V CA 1.545 63.826 62.300 -0.033 0.000 1.040 235 V CB -0.692 31.122 31.823 -0.016 0.000 0.671 235 V HN 0.150 nan 8.190 nan 0.000 0.455 236 A N -1.375 121.395 122.820 -0.084 0.000 2.167 236 A HA -0.073 2.249 4.320 -3.330 0.000 0.214 236 A C 1.299 178.786 177.584 -0.161 0.000 1.151 236 A CA 0.552 52.501 52.037 -0.147 0.000 0.735 236 A CB -0.446 18.398 19.000 -0.260 0.000 0.802 236 A HN 0.664 nan 8.150 nan 0.000 0.467 237 Q N -0.705 119.029 119.800 -0.110 0.000 2.457 237 Q HA -0.176 2.166 4.340 -3.330 0.000 0.283 237 Q C -0.120 175.817 176.000 -0.104 0.000 1.234 237 Q CA 0.788 56.541 55.803 -0.084 0.000 0.877 237 Q CB -1.948 26.755 28.738 -0.058 0.000 1.250 237 Q HN 0.576 nan 8.270 nan 0.000 0.481 238 S N -0.651 114.959 115.700 -0.150 0.000 2.543 238 S HA 0.458 2.930 4.470 -3.330 0.000 0.274 238 S C -1.497 173.037 174.600 -0.110 0.000 1.149 238 S CA -1.064 57.049 58.200 -0.144 0.000 0.866 238 S CB 1.581 64.615 63.200 -0.277 0.000 1.111 238 S HN 0.205 nan 8.310 nan 0.000 0.457 239 K N 2.666 123.057 120.400 -0.015 0.000 2.412 239 K HA 0.384 2.706 4.320 -3.330 0.000 0.284 239 K C -1.038 175.610 176.600 0.080 0.000 1.046 239 K CA 0.114 56.416 56.287 0.026 0.000 0.999 239 K CB -0.011 32.519 32.500 0.050 0.000 0.941 239 K HN 0.388 nan 8.250 nan 0.000 0.474 240 V N 4.886 124.839 119.914 0.065 0.000 2.394 240 V HA 0.335 2.457 4.120 -3.330 0.000 0.282 240 V C -0.211 175.939 176.094 0.093 0.000 1.031 240 V CA -0.676 61.701 62.300 0.128 0.000 0.881 240 V CB 1.727 33.599 31.823 0.082 0.000 0.982 240 V HN 0.833 nan 8.190 nan 0.000 0.451 241 T N 4.962 119.581 114.554 0.107 0.000 2.772 241 T HA 0.566 2.918 4.350 -3.330 0.000 0.288 241 T C -0.179 174.568 174.700 0.079 0.000 0.994 241 T CA -0.333 61.818 62.100 0.084 0.000 0.951 241 T CB 1.321 70.238 68.868 0.082 0.000 0.933 241 T HN 0.674 nan 8.240 nan 0.000 0.447 242 V N 0.973 120.931 119.914 0.074 0.000 3.177 242 V HA 0.915 3.038 4.120 -3.330 0.000 0.319 242 V C -0.033 176.123 176.094 0.103 0.000 1.125 242 V CA -0.949 61.400 62.300 0.082 0.000 1.029 242 V CB 2.023 33.888 31.823 0.070 0.000 1.119 242 V HN 0.698 nan 8.190 nan 0.000 0.452 243 S N 1.386 117.156 115.700 0.117 0.000 2.456 243 S HA 0.718 3.191 4.470 -3.330 0.000 0.316 243 S C -1.296 173.413 174.600 0.182 0.000 1.089 243 S CA -0.445 57.827 58.200 0.119 0.000 1.101 243 S CB 0.477 63.725 63.200 0.081 0.000 0.995 243 S HN 1.051 nan 8.310 nan 0.000 0.468 244 F N 4.259 124.194 119.950 -0.025 0.000 2.539 244 F HA 0.580 3.107 4.527 -3.334 0.000 0.328 244 F C -0.792 174.922 175.800 -0.144 0.000 1.148 244 F CA -0.295 57.655 58.000 -0.083 0.000 0.940 244 F CB 1.794 40.730 39.000 -0.107 0.000 1.194 244 F HN 0.432 nan 8.300 nan 0.000 0.438 245 T N 7.708 121.861 114.554 -0.669 0.000 2.833 245 T HA 0.415 2.767 4.350 -3.330 0.000 0.297 245 T C -2.839 171.289 174.700 -0.953 0.000 1.015 245 T CA -1.363 60.299 62.100 -0.730 0.000 0.963 245 T CB 1.546 70.231 68.868 -0.304 0.000 0.955 245 T HN 0.267 nan 8.240 nan 0.000 0.449 246 P HA 0.483 nan 4.420 nan 0.000 0.276 246 P C -0.848 175.880 177.300 -0.953 0.000 1.244 246 P CA -0.508 61.818 63.100 -1.291 0.000 0.801 246 P CB 0.526 31.092 31.700 -1.891 0.000 1.006 247 H N -0.129 118.779 119.070 -0.270 0.000 2.865 247 H HA 0.466 3.023 4.556 -3.331 0.000 0.362 247 H C -1.095 174.460 175.328 0.379 0.000 1.114 247 H CA -0.708 55.382 56.048 0.070 0.000 1.208 247 H CB 1.040 30.813 29.762 0.018 0.000 1.727 247 H HN 0.198 nan 8.280 nan 0.000 0.534 248 L N 3.485 124.994 121.223 0.476 0.000 2.265 248 L HA 0.373 2.716 4.340 -3.330 0.000 0.288 248 L C -0.852 176.108 176.870 0.151 0.000 1.058 248 L CA -0.283 54.717 54.840 0.267 0.000 0.809 248 L CB 0.292 42.373 42.059 0.037 0.000 1.179 248 L HN 0.580 nan 8.230 nan 0.000 0.429 249 M N 7.377 127.046 119.600 0.114 0.000 2.318 249 M HA 0.399 2.881 4.480 -3.330 0.000 0.347 249 M C -2.132 174.169 176.300 0.001 0.000 1.175 249 M CA -2.187 53.147 55.300 0.056 0.000 1.075 249 M CB 1.188 33.817 32.600 0.048 0.000 1.614 249 M HN 0.374 nan 8.290 nan 0.000 0.456 250 P HA 0.214 nan 4.420 nan 0.000 0.230 250 P C -1.181 176.083 177.300 -0.060 0.000 1.791 250 P CA 0.107 63.166 63.100 -0.068 0.000 1.020 250 P CB -0.548 31.106 31.700 -0.077 0.000 1.977 251 M N -0.869 118.700 119.600 -0.052 0.000 2.682 251 M HA 0.395 2.877 4.480 -3.330 0.000 0.272 251 M C -0.288 175.981 176.300 -0.052 0.000 1.232 251 M CA -0.923 54.347 55.300 -0.050 0.000 0.849 251 M CB 1.081 33.645 32.600 -0.061 0.000 1.695 251 M HN -0.283 nan 8.290 nan 0.000 0.481 252 I N 0.302 120.836 120.570 -0.060 0.000 2.188 252 I HA 0.062 2.234 4.170 -3.330 0.000 0.237 252 I C 0.975 177.034 176.117 -0.096 0.000 1.073 252 I CA 0.861 62.111 61.300 -0.083 0.000 1.359 252 I CB -0.120 37.817 38.000 -0.105 0.000 1.083 252 I HN 0.647 nan 8.210 nan 0.000 0.412 253 R N 0.461 120.902 120.500 -0.099 0.000 2.720 253 R HA 0.635 2.977 4.340 -3.330 0.000 0.272 253 R C -0.591 175.657 176.300 -0.087 0.000 0.991 253 R CA -0.267 55.774 56.100 -0.098 0.000 1.010 253 R CB 1.638 31.874 30.300 -0.106 0.000 1.141 253 R HN 0.355 nan 8.270 nan 0.000 0.494 254 G N 1.073 109.824 108.800 -0.081 0.000 2.697 254 G HA2 0.102 2.064 3.960 -3.330 0.000 0.684 254 G HA3 0.102 2.064 3.960 -3.330 0.000 0.684 254 G C -1.223 173.646 174.900 -0.052 0.000 1.274 254 G CA -0.822 44.235 45.100 -0.072 0.000 0.806 254 G HN 0.528 nan 8.290 nan 0.000 0.644 255 M N 1.526 121.105 119.600 -0.036 0.000 2.365 255 M HA 0.732 3.214 4.480 -3.330 0.000 0.287 255 M C -1.300 175.025 176.300 0.042 0.000 1.154 255 M CA -0.750 54.547 55.300 -0.006 0.000 0.941 255 M CB 2.158 34.711 32.600 -0.078 0.000 1.704 255 M HN 0.917 nan 8.290 nan 0.000 0.479 256 Q N 2.443 122.304 119.800 0.101 0.000 2.315 256 Q HA 0.630 2.972 4.340 -3.330 0.000 0.273 256 Q C -1.935 174.158 176.000 0.155 0.000 1.053 256 Q CA -0.541 55.324 55.803 0.103 0.000 0.817 256 Q CB 2.630 31.410 28.738 0.071 0.000 1.326 256 Q HN 0.770 nan 8.270 nan 0.000 0.423 257 S N 1.953 117.734 115.700 0.135 0.000 2.478 257 S HA 0.466 2.938 4.470 -3.330 0.000 0.312 257 S C -1.085 173.544 174.600 0.048 0.000 1.094 257 S CA -0.477 57.807 58.200 0.140 0.000 1.081 257 S CB 1.770 65.072 63.200 0.171 0.000 1.007 257 S HN 0.583 nan 8.310 nan 0.000 0.475 258 T N 4.100 118.652 114.554 -0.004 0.000 2.753 258 T HA 0.460 2.813 4.350 -3.330 0.000 0.297 258 T C -0.087 174.450 174.700 -0.272 0.000 0.981 258 T CA -0.249 61.756 62.100 -0.159 0.000 0.956 258 T CB -0.117 68.660 68.868 -0.152 0.000 0.936 258 T HN 0.435 nan 8.240 nan 0.000 0.463 259 I N 3.831 124.224 120.570 -0.296 0.000 2.339 259 I HA 0.335 2.508 4.170 -3.330 0.000 0.290 259 I C -0.834 175.081 176.117 -0.336 0.000 0.994 259 I CA -0.977 60.203 61.300 -0.200 0.000 1.191 259 I CB 0.947 38.928 38.000 -0.031 0.000 1.343 259 I HN 0.569 nan 8.210 nan 0.000 0.458 260 Y N 6.224 126.562 120.300 0.063 0.000 2.434 260 Y HA 0.481 3.033 4.550 -3.330 0.000 0.341 260 Y C 0.247 176.179 175.900 0.054 0.000 0.965 260 Y CA -0.874 57.259 58.100 0.054 0.000 1.205 260 Y CB 1.202 39.684 38.460 0.037 0.000 1.121 260 Y HN 0.348 nan 8.280 nan 0.000 0.507 261 V N -0.495 119.512 119.914 0.156 0.000 3.046 261 V HA 0.621 2.743 4.120 -3.330 0.000 0.316 261 V C -0.520 175.635 176.094 0.100 0.000 1.104 261 V CA -1.242 61.127 62.300 0.115 0.000 1.006 261 V CB 2.289 34.164 31.823 0.087 0.000 1.058 261 V HN 0.635 nan 8.190 nan 0.000 0.440 262 E N 2.583 122.829 120.200 0.077 0.000 2.134 262 E HA 0.478 2.830 4.350 -3.330 0.000 0.278 262 E C -0.649 175.984 176.600 0.054 0.000 0.959 262 E CA -0.484 55.952 56.400 0.059 0.000 0.783 262 E CB 1.718 31.441 29.700 0.040 0.000 1.095 262 E HN 0.670 nan 8.360 nan 0.000 0.399 263 M N 1.853 121.485 119.600 0.052 0.000 2.241 263 M HA 0.259 2.741 4.480 -3.330 0.000 0.335 263 M C 0.352 176.675 176.300 0.040 0.000 1.122 263 M CA -0.248 55.080 55.300 0.048 0.000 1.164 263 M CB 0.908 33.535 32.600 0.046 0.000 1.459 263 M HN 0.511 nan 8.290 nan 0.000 0.461 264 A N 2.810 125.654 122.820 0.039 0.000 2.366 264 A HA 0.434 2.757 4.320 -3.330 0.000 0.249 264 A C -2.366 175.235 177.584 0.029 0.000 1.084 264 A CA -1.278 50.780 52.037 0.035 0.000 0.794 264 A CB -0.788 18.235 19.000 0.037 0.000 1.034 264 A HN 0.467 nan 8.150 nan 0.000 0.491 265 P HA 0.193 nan 4.420 nan 0.000 0.260 265 P C 1.023 178.335 177.300 0.020 0.000 1.172 265 P CA 2.004 65.116 63.100 0.021 0.000 0.760 265 P CB 0.394 32.105 31.700 0.018 0.000 0.773 266 G N 1.388 110.199 108.800 0.019 0.000 2.234 266 G HA2 -0.245 1.717 3.960 -3.330 0.000 0.260 266 G HA3 -0.245 1.717 3.960 -3.330 0.000 0.260 266 G C 0.202 175.114 174.900 0.019 0.000 0.987 266 G CA 0.034 45.145 45.100 0.017 0.000 0.625 266 G HN 0.544 nan 8.290 nan 0.000 0.532 267 V N 1.528 121.456 119.914 0.023 0.000 2.649 267 V HA 0.599 2.721 4.120 -3.330 0.000 0.292 267 V C 0.918 177.028 176.094 0.027 0.000 1.055 267 V CA -0.096 62.219 62.300 0.025 0.000 1.023 267 V CB 1.266 33.106 31.823 0.029 0.000 0.992 267 V HN 0.477 nan 8.190 nan 0.000 0.480 268 R N 1.459 121.975 120.500 0.026 0.000 2.902 268 R HA 0.422 2.764 4.340 -3.330 0.000 0.258 268 R C 1.400 177.719 176.300 0.031 0.000 1.071 268 R CA -0.085 56.031 56.100 0.026 0.000 1.024 268 R CB 1.051 31.363 30.300 0.019 0.000 1.184 268 R HN 0.822 nan 8.270 nan 0.000 0.492 269 T N -1.730 112.842 114.554 0.030 0.000 2.803 269 T HA -0.164 2.188 4.350 -3.330 0.000 0.269 269 T C 1.171 175.892 174.700 0.035 0.000 1.052 269 T CA 1.466 63.585 62.100 0.032 0.000 1.136 269 T CB -0.158 68.724 68.868 0.022 0.000 0.864 269 T HN 0.535 nan 8.240 nan 0.000 0.467 270 E N 1.684 121.895 120.200 0.020 0.000 2.118 270 E HA -0.105 2.247 4.350 -3.330 0.000 0.195 270 E C 2.128 178.769 176.600 0.068 0.000 0.992 270 E CA 1.477 57.894 56.400 0.028 0.000 0.804 270 E CB -0.355 29.349 29.700 0.006 0.000 0.741 270 E HN 0.621 nan 8.360 nan 0.000 0.458 271 D N 0.184 120.612 120.400 0.047 0.000 2.117 271 D HA -0.108 2.534 4.640 -3.330 0.000 0.198 271 D C 2.050 178.377 176.300 0.045 0.000 0.982 271 D CA 0.770 54.794 54.000 0.041 0.000 0.828 271 D CB -0.165 40.652 40.800 0.029 0.000 0.967 271 D HN 0.206 nan 8.370 nan 0.000 0.464 272 L N 0.491 121.746 121.223 0.054 0.000 2.046 272 L HA -0.180 2.162 4.340 -3.330 0.000 0.208 272 L C 2.641 179.542 176.870 0.053 0.000 1.077 272 L CA 1.120 55.990 54.840 0.050 0.000 0.747 272 L CB -0.777 41.315 42.059 0.056 0.000 0.896 272 L HN 0.209 nan 8.230 nan 0.000 0.432 273 H N 0.359 119.418 119.070 -0.018 0.000 2.321 273 H HA -0.225 2.333 4.556 -3.330 0.000 0.300 273 H C 2.298 177.617 175.328 -0.015 0.000 1.087 273 H CA 2.213 58.242 56.048 -0.030 0.000 1.319 273 H CB 0.275 30.001 29.762 -0.059 0.000 1.379 273 H HN 0.259 nan 8.280 nan 0.000 0.501 274 Q N 0.721 120.541 119.800 0.033 0.000 2.084 274 Q HA -0.168 2.174 4.340 -3.330 0.000 0.202 274 Q C 2.454 178.415 176.000 -0.065 0.000 0.978 274 Q CA 1.997 57.790 55.803 -0.017 0.000 0.844 274 Q CB -0.278 28.481 28.738 0.035 0.000 0.898 274 Q HN 0.352 nan 8.270 nan 0.000 0.426 275 Q N -0.215 119.560 119.800 -0.042 0.000 2.084 275 Q HA -0.076 2.266 4.340 -3.330 0.000 0.202 275 Q C 1.919 177.874 176.000 -0.075 0.000 0.978 275 Q CA 1.697 57.471 55.803 -0.049 0.000 0.844 275 Q CB -0.358 28.365 28.738 -0.024 0.000 0.898 275 Q HN 0.552 nan 8.270 nan 0.000 0.426 276 L N -0.094 121.090 121.223 -0.065 0.000 2.056 276 L HA -0.141 2.202 4.340 -3.330 0.000 0.207 276 L C 2.394 179.244 176.870 -0.033 0.000 1.078 276 L CA 1.424 56.257 54.840 -0.010 0.000 0.749 276 L CB -0.453 41.616 42.059 0.017 0.000 0.901 276 L HN 0.179 nan 8.230 nan 0.000 0.433 277 K N -0.050 120.248 120.400 -0.169 0.000 2.057 277 K HA -0.146 2.176 4.320 -3.330 0.000 0.207 277 K C 1.946 178.500 176.600 -0.077 0.000 1.049 277 K CA 1.861 58.054 56.287 -0.156 0.000 0.931 277 K CB -0.229 32.115 32.500 -0.259 0.000 0.714 277 K HN 0.129 nan 8.250 nan 0.000 0.440 278 T N -0.260 114.241 114.554 -0.089 0.000 2.770 278 T HA -0.048 2.305 4.350 -3.330 0.000 0.263 278 T C 1.876 176.505 174.700 -0.119 0.000 1.039 278 T CA 1.525 63.577 62.100 -0.080 0.000 1.142 278 T CB -0.268 68.557 68.868 -0.072 0.000 0.868 278 T HN 0.190 nan 8.240 nan 0.000 0.435 279 S N 0.420 116.000 115.700 -0.200 0.000 2.419 279 S HA -0.051 2.421 4.470 -3.330 0.000 0.233 279 S C 0.897 175.178 174.600 -0.533 0.000 1.016 279 S CA 0.990 58.949 58.200 -0.402 0.000 0.974 279 S CB -0.238 62.613 63.200 -0.581 0.000 0.786 279 S HN 0.572 nan 8.310 nan 0.000 0.492 280 Y N 0.315 120.603 120.300 -0.020 0.000 2.641 280 Y HA 0.374 2.927 4.550 -3.328 0.000 0.248 280 Y C 1.650 177.541 175.900 -0.015 0.000 1.170 280 Y CA -1.060 57.036 58.100 -0.006 0.000 1.201 280 Y CB 0.051 38.514 38.460 0.005 0.000 1.232 280 Y HN 0.023 nan 8.280 nan 0.000 0.537 281 E N 0.925 121.163 120.200 0.064 0.000 2.097 281 E HA -0.202 2.151 4.350 -3.330 0.000 0.196 281 E C 0.426 177.045 176.600 0.031 0.000 1.000 281 E CA 1.542 57.960 56.400 0.031 0.000 0.804 281 E CB 0.103 29.800 29.700 -0.004 0.000 0.740 281 E HN 0.504 nan 8.360 nan 0.000 0.454 282 D N 0.663 121.082 120.400 0.033 0.000 2.368 282 D HA 0.019 2.662 4.640 -3.330 0.000 0.218 282 D C -0.280 176.040 176.300 0.033 0.000 1.112 282 D CA 0.050 54.062 54.000 0.021 0.000 0.834 282 D CB 0.369 41.174 40.800 0.008 0.000 0.953 282 D HN 0.052 nan 8.370 nan 0.000 0.505 283 E N 1.197 121.445 120.200 0.080 0.000 2.194 283 E HA 0.025 2.377 4.350 -3.330 0.000 0.284 283 E C 1.053 177.666 176.600 0.022 0.000 1.035 283 E CA -0.082 56.374 56.400 0.093 0.000 0.836 283 E CB 2.180 32.022 29.700 0.238 0.000 1.070 283 E HN 0.056 nan 8.360 nan 0.000 0.401 284 E N 2.854 122.986 120.200 -0.113 0.000 2.051 284 E HA -0.180 2.172 4.350 -3.330 0.000 0.192 284 E C 0.703 177.205 176.600 -0.163 0.000 0.991 284 E CA 1.610 57.850 56.400 -0.267 0.000 0.799 284 E CB -0.074 29.231 29.700 -0.658 0.000 0.748 284 E HN 0.451 nan 8.360 nan 0.000 0.449 285 F N -0.333 119.693 119.950 0.128 0.000 2.789 285 F HA 0.220 2.752 4.527 -3.325 0.000 0.300 285 F C 0.191 176.069 175.800 0.131 0.000 1.132 285 F CA -0.027 58.031 58.000 0.098 0.000 1.404 285 F CB 0.443 39.387 39.000 -0.093 0.000 1.114 285 F HN -0.197 nan 8.300 nan 0.000 0.584 286 V N 2.144 122.172 119.914 0.189 0.000 2.350 286 V HA 0.338 2.461 4.120 -3.330 0.000 0.285 286 V C -0.325 175.795 176.094 0.045 0.000 1.014 286 V CA -0.993 61.312 62.300 0.007 0.000 0.831 286 V CB 1.267 32.849 31.823 -0.402 0.000 1.000 286 V HN -0.132 nan 8.190 nan 0.000 0.433 287 K N 3.913 124.373 120.400 0.100 0.000 2.235 287 K HA 0.605 2.927 4.320 -3.330 0.000 0.266 287 K C -0.758 175.835 176.600 -0.012 0.000 0.980 287 K CA -0.646 55.660 56.287 0.031 0.000 0.849 287 K CB 2.435 34.907 32.500 -0.048 0.000 1.098 287 K HN 0.381 nan 8.250 nan 0.000 0.445 288 V N 5.070 124.970 119.914 -0.023 0.000 2.350 288 V HA 0.280 2.402 4.120 -3.330 0.000 0.276 288 V C 0.579 176.649 176.094 -0.040 0.000 1.028 288 V CA -0.801 61.479 62.300 -0.035 0.000 0.860 288 V CB 0.710 32.492 31.823 -0.069 0.000 0.990 288 V HN 0.542 nan 8.190 nan 0.000 0.453 289 L N 3.242 124.448 121.223 -0.028 0.000 2.466 289 L HA 0.381 2.724 4.340 -3.330 0.000 0.257 289 L C 0.625 177.536 176.870 0.067 0.000 1.189 289 L CA -0.581 54.243 54.840 -0.028 0.000 0.813 289 L CB 0.436 42.466 42.059 -0.047 0.000 1.118 289 L HN 0.540 nan 8.230 nan 0.000 0.471 290 D N 0.579 120.992 120.400 0.022 0.000 2.352 290 D HA 0.032 2.674 4.640 -3.330 0.000 0.238 290 D C -0.047 176.173 176.300 -0.134 0.000 1.286 290 D CA 0.009 54.011 54.000 0.003 0.000 0.923 290 D CB 0.456 41.231 40.800 -0.042 0.000 1.146 290 D HN 0.421 nan 8.370 nan 0.000 0.471 291 E N -0.639 119.382 120.200 -0.299 0.000 2.376 291 E HA 0.317 2.670 4.350 -3.330 0.000 0.266 291 E C 0.957 177.426 176.600 -0.219 0.000 1.009 291 E CA 0.230 56.410 56.400 -0.367 0.000 0.902 291 E CB 0.601 30.057 29.700 -0.406 0.000 0.972 291 E HN 0.649 nan 8.360 nan 0.000 0.439 292 G N 2.051 110.690 108.800 -0.267 0.000 2.205 292 G HA2 -0.295 1.667 3.960 -3.330 0.000 0.261 292 G HA3 -0.295 1.667 3.960 -3.330 0.000 0.261 292 G C 0.346 175.337 174.900 0.152 0.000 0.980 292 G CA 0.161 45.265 45.100 0.006 0.000 0.632 292 G HN 0.436 nan 8.290 nan 0.000 0.533 293 V N 1.593 121.515 119.914 0.014 0.000 2.488 293 V HA 0.443 2.565 4.120 -3.330 0.000 0.277 293 V C 0.925 177.160 176.094 0.235 0.000 1.046 293 V CA -0.442 61.907 62.300 0.083 0.000 0.986 293 V CB 1.631 33.454 31.823 0.001 0.000 0.989 293 V HN 0.251 nan 8.190 nan 0.000 0.475 294 V N 8.609 128.676 119.914 0.255 0.000 2.406 294 V HA 0.295 2.417 4.120 -3.330 0.000 0.272 294 V C -1.425 174.766 176.094 0.162 0.000 1.043 294 V CA -1.231 61.234 62.300 0.275 0.000 0.915 294 V CB 1.235 33.124 31.823 0.110 0.000 0.988 294 V HN 0.814 nan 8.190 nan 0.000 0.466 295 P HA 0.438 nan 4.420 nan 0.000 0.274 295 P C -0.784 176.592 177.300 0.128 0.000 1.246 295 P CA -0.692 62.505 63.100 0.161 0.000 0.795 295 P CB 1.318 33.138 31.700 0.199 0.000 1.006 296 R N -0.524 120.055 120.500 0.132 0.000 2.628 296 R HA 0.281 2.623 4.340 -3.330 0.000 0.288 296 R C 1.502 177.905 176.300 0.173 0.000 0.980 296 R CA -0.274 55.922 56.100 0.161 0.000 0.891 296 R CB 1.322 31.678 30.300 0.094 0.000 1.188 296 R HN 0.533 nan 8.270 nan 0.000 0.450 297 T N -1.142 113.511 114.554 0.165 0.000 2.881 297 T HA -0.161 2.191 4.350 -3.330 0.000 0.270 297 T C 1.188 175.917 174.700 0.047 0.000 1.068 297 T CA 1.447 63.570 62.100 0.038 0.000 1.131 297 T CB -0.295 68.548 68.868 -0.042 0.000 0.871 297 T HN 0.658 nan 8.240 nan 0.000 0.479 298 H N 2.044 121.133 119.070 0.031 0.000 2.422 298 H HA 0.052 2.612 4.556 -3.325 0.000 0.298 298 H C 2.190 177.539 175.328 0.035 0.000 1.098 298 H CA 1.445 57.552 56.048 0.097 0.000 1.315 298 H CB -0.523 29.330 29.762 0.150 0.000 1.382 298 H HN 0.389 nan 8.280 nan 0.000 0.523 299 N N 0.490 119.232 118.700 0.070 0.000 2.512 299 N HA -0.060 2.682 4.740 -3.330 0.000 0.183 299 N C 1.307 176.799 175.510 -0.031 0.000 1.073 299 N CA 1.116 54.155 53.050 -0.018 0.000 0.911 299 N CB 0.413 38.916 38.487 0.028 0.000 0.964 299 N HN 0.469 nan 8.380 nan 0.000 0.447 300 V N -2.695 117.177 119.914 -0.069 0.000 3.432 300 V HA 0.307 2.429 4.120 -3.330 0.000 0.298 300 V C 0.760 176.859 176.094 0.008 0.000 1.464 300 V CA -0.520 61.730 62.300 -0.083 0.000 1.046 300 V CB -0.225 31.468 31.823 -0.218 0.000 0.887 300 V HN -0.096 nan 8.190 nan 0.000 0.441 301 R N 1.866 122.384 120.500 0.030 0.000 2.485 301 R HA 0.330 2.672 4.340 -3.330 0.000 0.304 301 R C 1.373 177.691 176.300 0.030 0.000 0.934 301 R CA 1.488 57.603 56.100 0.024 0.000 1.102 301 R CB -0.269 30.069 30.300 0.063 0.000 0.906 301 R HN 1.035 nan 8.270 nan 0.000 0.407 302 G N 2.506 111.294 108.800 -0.021 0.000 2.143 302 G HA2 -0.309 1.653 3.960 -3.330 0.000 0.248 302 G HA3 -0.309 1.653 3.960 -3.330 0.000 0.248 302 G C -0.201 174.687 174.900 -0.019 0.000 0.991 302 G CA 0.406 45.483 45.100 -0.039 0.000 0.689 302 G HN 0.887 nan 8.290 nan 0.000 0.522 303 S N -1.843 113.863 115.700 0.010 0.000 2.704 303 S HA 0.674 3.146 4.470 -3.330 0.000 0.296 303 S C 0.182 174.730 174.600 -0.087 0.000 1.138 303 S CA -0.017 58.215 58.200 0.054 0.000 0.875 303 S CB 1.805 65.197 63.200 0.320 0.000 1.151 303 S HN 0.314 nan 8.310 nan 0.000 0.500 304 N N -0.823 117.724 118.700 -0.254 0.000 2.276 304 N HA 0.274 3.016 4.740 -3.330 0.000 0.212 304 N C -1.299 173.962 175.510 -0.415 0.000 1.127 304 N CA -0.237 52.532 53.050 -0.468 0.000 0.834 304 N CB -0.271 37.703 38.487 -0.856 0.000 1.014 304 N HN 0.559 nan 8.380 nan 0.000 0.491 305 Y N -0.500 119.825 120.300 0.040 0.000 2.307 305 Y HA 0.365 2.917 4.550 -3.329 0.000 0.324 305 Y C 0.478 176.349 175.900 -0.048 0.000 1.238 305 Y CA -1.010 57.148 58.100 0.097 0.000 1.280 305 Y CB 0.887 39.411 38.460 0.107 0.000 1.248 305 Y HN -0.055 nan 8.280 nan 0.000 0.508 306 C N 3.803 123.220 119.300 0.194 0.000 2.396 306 C HA 0.544 3.006 4.460 -3.330 0.000 0.321 306 C C -0.924 174.188 174.990 0.204 0.000 1.233 306 C CA -0.536 58.527 59.018 0.074 0.000 1.440 306 C CB -0.813 26.937 27.740 0.016 0.000 2.110 306 C HN 0.933 nan 8.230 nan 0.000 0.473 307 H N 5.961 125.060 119.070 0.048 0.000 2.469 307 H HA 0.669 3.229 4.556 -3.327 0.000 0.342 307 H C -0.055 175.287 175.328 0.024 0.000 1.115 307 H CA -0.632 55.433 56.048 0.028 0.000 1.204 307 H CB 1.722 31.503 29.762 0.031 0.000 1.492 307 H HN 0.815 nan 8.280 nan 0.000 0.499 308 M N 1.008 120.687 119.600 0.131 0.000 2.550 308 M HA 0.649 3.132 4.480 -3.330 0.000 0.292 308 M C -1.156 175.184 176.300 0.067 0.000 1.221 308 M CA -0.877 54.477 55.300 0.091 0.000 0.873 308 M CB 2.719 35.346 32.600 0.045 0.000 1.727 308 M HN 0.415 nan 8.290 nan 0.000 0.459 309 S N 0.905 116.653 115.700 0.080 0.000 2.556 309 S HA 0.825 3.297 4.470 -3.330 0.000 0.271 309 S C -1.693 172.835 174.600 -0.120 0.000 1.135 309 S CA -0.563 57.609 58.200 -0.048 0.000 0.858 309 S CB 2.278 65.432 63.200 -0.077 0.000 1.114 309 S HN 0.671 nan 8.310 nan 0.000 0.468 310 V N 3.835 123.542 119.914 -0.345 0.000 2.628 310 V HA 0.745 2.867 4.120 -3.330 0.000 0.306 310 V C -1.279 174.467 176.094 -0.579 0.000 1.045 310 V CA -0.461 61.701 62.300 -0.229 0.000 0.905 310 V CB 1.209 33.011 31.823 -0.034 0.000 0.997 310 V HN 0.789 nan 8.190 nan 0.000 0.436 311 F N 3.830 123.792 119.950 0.021 0.000 2.599 311 F HA 0.667 3.196 4.527 -3.330 0.000 0.311 311 F C -2.516 173.296 175.800 0.020 0.000 1.076 311 F CA -2.566 55.441 58.000 0.012 0.000 0.937 311 F CB 2.128 41.132 39.000 0.008 0.000 1.282 311 F HN 0.262 nan 8.300 nan 0.000 0.460 312 P HA 0.090 nan 4.420 nan 0.000 0.278 312 P C -1.091 176.294 177.300 0.142 0.000 1.238 312 P CA -0.115 63.065 63.100 0.133 0.000 0.794 312 P CB 1.492 33.245 31.700 0.089 0.000 0.955 313 D N 1.404 121.876 120.400 0.121 0.000 2.253 313 D HA 0.085 2.727 4.640 -3.330 0.000 0.249 313 D C 1.179 177.528 176.300 0.083 0.000 1.049 313 D CA -0.553 53.519 54.000 0.120 0.000 0.929 313 D CB 1.379 42.262 40.800 0.138 0.000 1.176 313 D HN 0.302 nan 8.370 nan 0.000 0.437 314 R N 2.742 123.282 120.500 0.067 0.000 2.120 314 R HA -0.012 2.330 4.340 -3.330 0.000 0.234 314 R C 0.592 176.914 176.300 0.037 0.000 1.123 314 R CA 0.666 56.793 56.100 0.044 0.000 0.975 314 R CB 0.009 30.327 30.300 0.031 0.000 0.866 314 R HN 0.503 nan 8.270 nan 0.000 0.446 315 I N 4.536 125.130 120.570 0.040 0.000 2.436 315 I HA 0.099 2.271 4.170 -3.330 0.000 0.289 315 I C -1.870 174.269 176.117 0.038 0.000 1.083 315 I CA -2.053 59.267 61.300 0.032 0.000 1.372 315 I CB 1.038 39.055 38.000 0.028 0.000 1.408 315 I HN 0.087 nan 8.210 nan 0.000 0.516 316 P HA -0.035 nan 4.420 nan 0.000 0.262 316 P C 0.791 178.110 177.300 0.032 0.000 1.182 316 P CA 0.691 63.809 63.100 0.030 0.000 0.761 316 P CB 0.794 32.507 31.700 0.022 0.000 0.795 317 G N 2.504 111.326 108.800 0.036 0.000 2.217 317 G HA2 -0.226 1.736 3.960 -3.330 0.000 0.246 317 G HA3 -0.226 1.736 3.960 -3.330 0.000 0.246 317 G C 0.325 175.254 174.900 0.049 0.000 0.990 317 G CA -0.251 44.871 45.100 0.037 0.000 0.627 317 G HN 0.616 nan 8.290 nan 0.000 0.522 318 R N 0.473 121.009 120.500 0.060 0.000 2.720 318 R HA 0.791 3.134 4.340 -3.330 0.000 0.272 318 R C 0.040 176.398 176.300 0.095 0.000 0.991 318 R CA 0.216 56.365 56.100 0.081 0.000 1.010 318 R CB 1.671 32.027 30.300 0.094 0.000 1.141 318 R HN 0.605 nan 8.270 nan 0.000 0.494 319 A N 2.181 125.067 122.820 0.109 0.000 2.527 319 A HA 0.699 3.021 4.320 -3.330 0.000 0.293 319 A C -1.056 176.600 177.584 0.120 0.000 1.117 319 A CA -0.736 51.370 52.037 0.114 0.000 0.723 319 A CB 1.296 20.350 19.000 0.090 0.000 1.313 319 A HN 0.611 nan 8.150 nan 0.000 0.411 320 I N 1.130 121.779 120.570 0.132 0.000 2.436 320 I HA 0.439 2.612 4.170 -3.330 0.000 0.289 320 I C -1.047 175.154 176.117 0.141 0.000 1.010 320 I CA -0.254 61.075 61.300 0.048 0.000 1.098 320 I CB 1.779 39.791 38.000 0.020 0.000 1.266 320 I HN 0.456 nan 8.210 nan 0.000 0.434 321 I N 6.814 127.396 120.570 0.020 0.000 2.436 321 I HA 0.473 2.646 4.170 -3.330 0.000 0.289 321 I C -0.547 175.605 176.117 0.058 0.000 1.010 321 I CA -0.534 60.821 61.300 0.091 0.000 1.098 321 I CB 2.076 40.109 38.000 0.055 0.000 1.266 321 I HN 0.362 nan 8.210 nan 0.000 0.434 322 I N 4.681 125.350 120.570 0.164 0.000 2.404 322 I HA 0.355 2.527 4.170 -3.330 0.000 0.293 322 I C -0.114 176.074 176.117 0.118 0.000 0.992 322 I CA -0.285 61.087 61.300 0.120 0.000 1.149 322 I CB 1.955 40.057 38.000 0.170 0.000 1.315 322 I HN 0.470 nan 8.210 nan 0.000 0.446 323 S N 6.419 122.171 115.700 0.085 0.000 2.672 323 S HA 0.735 3.207 4.470 -3.330 0.000 0.291 323 S C -0.870 173.773 174.600 0.071 0.000 1.145 323 S CA -0.553 57.694 58.200 0.077 0.000 1.013 323 S CB 1.248 64.484 63.200 0.060 0.000 1.017 323 S HN 0.465 nan 8.310 nan 0.000 0.487 324 V N 3.993 123.945 119.914 0.063 0.000 2.914 324 V HA 0.945 3.067 4.120 -3.330 0.000 0.314 324 V C -0.516 175.569 176.094 -0.014 0.000 1.084 324 V CA -0.873 61.446 62.300 0.032 0.000 0.963 324 V CB 1.271 33.114 31.823 0.034 0.000 1.025 324 V HN 1.040 nan 8.190 nan 0.000 0.432 325 I N -0.994 119.557 120.570 -0.033 0.000 3.229 325 I HA 0.636 2.808 4.170 -3.330 0.000 0.313 325 I C -1.606 174.470 176.117 -0.069 0.000 1.317 325 I CA -0.675 60.588 61.300 -0.060 0.000 0.940 325 I CB 2.262 40.226 38.000 -0.060 0.000 1.315 325 I HN 0.678 nan 8.210 nan 0.000 0.484 326 D N 2.571 122.923 120.400 -0.081 0.000 2.347 326 D HA 0.147 2.789 4.640 -3.330 0.000 0.235 326 D C 0.925 177.165 176.300 -0.100 0.000 1.149 326 D CA -0.268 53.680 54.000 -0.086 0.000 0.850 326 D CB 0.910 41.657 40.800 -0.089 0.000 1.061 326 D HN 0.708 nan 8.370 nan 0.000 0.487 327 N N 4.612 123.253 118.700 -0.100 0.000 2.192 327 N HA -0.208 2.535 4.740 -3.330 0.000 0.188 327 N C 1.569 177.022 175.510 -0.094 0.000 1.013 327 N CA 0.887 53.872 53.050 -0.108 0.000 0.863 327 N CB -0.181 38.233 38.487 -0.122 0.000 0.990 327 N HN 0.501 nan 8.380 nan 0.000 0.430 328 L N 0.093 121.256 121.223 -0.100 0.000 2.341 328 L HA 0.062 2.405 4.340 -3.330 0.000 0.214 328 L C 1.914 178.707 176.870 -0.127 0.000 1.115 328 L CA 0.130 54.910 54.840 -0.100 0.000 0.820 328 L CB 0.107 42.095 42.059 -0.118 0.000 0.944 328 L HN 0.008 nan 8.230 nan 0.000 0.452 329 V N -0.766 119.061 119.914 -0.144 0.000 3.064 329 V HA -0.030 2.092 4.120 -3.330 0.000 0.215 329 V C 2.012 177.993 176.094 -0.189 0.000 1.167 329 V CA 0.604 62.796 62.300 -0.180 0.000 1.286 329 V CB -0.314 31.393 31.823 -0.194 0.000 1.103 329 V HN 0.121 nan 8.190 nan 0.000 0.510 330 K N 1.610 121.892 120.400 -0.197 0.000 2.362 330 K HA -0.032 2.290 4.320 -3.330 0.000 0.200 330 K C 1.663 178.176 176.600 -0.144 0.000 1.046 330 K CA 1.453 57.619 56.287 -0.202 0.000 0.952 330 K CB -0.798 31.590 32.500 -0.187 0.000 0.753 330 K HN 0.495 nan 8.250 nan 0.000 0.466 331 G N -1.676 107.051 108.800 -0.122 0.000 2.880 331 G HA2 0.302 2.265 3.960 -3.330 0.000 0.209 331 G HA3 0.302 2.265 3.960 -3.330 0.000 0.209 331 G C 0.649 175.499 174.900 -0.083 0.000 1.157 331 G CA 0.532 45.573 45.100 -0.099 0.000 0.779 331 G HN 0.451 nan 8.290 nan 0.000 0.539 332 A N -0.500 122.262 122.820 -0.096 0.000 1.560 332 A HA 0.477 2.799 4.320 -3.330 0.000 0.162 332 A C 1.960 179.481 177.584 -0.104 0.000 1.499 332 A CA 0.996 52.988 52.037 -0.076 0.000 2.670 332 A CB -0.823 18.149 19.000 -0.048 0.000 2.896 332 A HN 0.051 nan 8.150 nan 0.000 1.269 333 S N 0.819 116.439 115.700 -0.133 0.000 2.400 333 S HA -0.034 2.438 4.470 -3.330 0.000 0.232 333 S C 1.864 176.337 174.600 -0.211 0.000 1.025 333 S CA 1.651 59.730 58.200 -0.202 0.000 0.993 333 S CB -0.538 62.525 63.200 -0.229 0.000 0.808 333 S HN 0.986 nan 8.310 nan 0.000 0.478 334 G N 0.960 109.641 108.800 -0.199 0.000 2.404 334 G HA2 -0.246 1.716 3.960 -3.330 0.000 0.215 334 G HA3 -0.246 1.716 3.960 -3.330 0.000 0.215 334 G C 1.282 176.057 174.900 -0.208 0.000 1.174 334 G CA 0.857 45.822 45.100 -0.226 0.000 0.780 334 G HN 0.529 nan 8.290 nan 0.000 0.537 335 Q N 0.100 119.791 119.800 -0.183 0.000 2.119 335 Q HA 0.094 2.436 4.340 -3.330 0.000 0.201 335 Q C 2.742 178.716 176.000 -0.044 0.000 0.972 335 Q CA 1.416 57.135 55.803 -0.139 0.000 0.847 335 Q CB -0.298 28.360 28.738 -0.134 0.000 0.903 335 Q HN 0.394 nan 8.270 nan 0.000 0.433 336 A N 0.660 123.471 122.820 -0.015 0.000 1.883 336 A HA -0.195 2.127 4.320 -3.330 0.000 0.217 336 A C 1.966 179.742 177.584 0.319 0.000 1.186 336 A CA 1.482 53.603 52.037 0.140 0.000 0.624 336 A CB -0.810 18.256 19.000 0.110 0.000 0.822 336 A HN 0.499 nan 8.150 nan 0.000 0.444 337 L N -0.344 120.992 121.223 0.188 0.000 2.093 337 L HA -0.144 2.199 4.340 -3.330 0.000 0.208 337 L C 2.441 179.465 176.870 0.257 0.000 1.085 337 L CA 2.446 57.483 54.840 0.329 0.000 0.755 337 L CB -0.761 41.392 42.059 0.157 0.000 0.904 337 L HN 0.584 nan 8.230 nan 0.000 0.435 338 Q N -0.734 119.130 119.800 0.107 0.000 2.096 338 Q HA -0.229 2.113 4.340 -3.330 0.000 0.204 338 Q C 1.848 177.931 176.000 0.138 0.000 0.982 338 Q CA 1.845 57.705 55.803 0.094 0.000 0.850 338 Q CB 0.008 28.729 28.738 -0.029 0.000 0.901 338 Q HN 0.612 nan 8.270 nan 0.000 0.422 339 N N 0.329 119.098 118.700 0.115 0.000 2.135 339 N HA -0.141 2.601 4.740 -3.330 0.000 0.186 339 N C 1.726 177.302 175.510 0.110 0.000 1.027 339 N CA 0.712 53.818 53.050 0.093 0.000 0.849 339 N CB -0.313 38.204 38.487 0.051 0.000 1.002 339 N HN 0.194 nan 8.380 nan 0.000 0.425 340 L N 1.997 123.302 121.223 0.138 0.000 2.083 340 L HA -0.058 2.284 4.340 -3.330 0.000 0.209 340 L C 1.665 178.665 176.870 0.216 0.000 1.083 340 L CA 1.453 56.330 54.840 0.061 0.000 0.752 340 L CB -0.783 41.226 42.059 -0.084 0.000 0.899 340 L HN 0.050 nan 8.230 nan 0.000 0.433 341 N N 0.451 119.374 118.700 0.371 0.000 2.018 341 N HA -0.237 2.505 4.740 -3.330 0.000 0.196 341 N C 1.940 177.674 175.510 0.373 0.000 1.043 341 N CA 2.376 55.713 53.050 0.478 0.000 0.856 341 N CB -0.510 38.198 38.487 0.368 0.000 1.042 341 N HN 0.691 nan 8.380 nan 0.000 0.423 342 I N -1.996 118.717 120.570 0.238 0.000 2.493 342 I HA -0.115 2.057 4.170 -3.330 0.000 0.254 342 I C 2.007 178.199 176.117 0.126 0.000 1.160 342 I CA 1.086 62.486 61.300 0.167 0.000 1.445 342 I CB -0.384 37.688 38.000 0.120 0.000 1.086 342 I HN -0.019 nan 8.210 nan 0.000 0.433 343 M N 0.940 120.605 119.600 0.108 0.000 2.229 343 M HA -0.043 2.439 4.480 -3.330 0.000 0.264 343 M C 1.802 178.139 176.300 0.062 0.000 1.063 343 M CA 1.684 57.014 55.300 0.049 0.000 1.114 343 M CB -0.125 32.473 32.600 -0.003 0.000 1.387 343 M HN 0.293 nan 8.290 nan 0.000 0.420 344 L N -0.859 120.453 121.223 0.149 0.000 2.628 344 L HA 0.249 2.592 4.340 -3.330 0.000 0.229 344 L C 1.137 178.131 176.870 0.208 0.000 1.137 344 L CA 0.047 55.013 54.840 0.210 0.000 0.909 344 L CB -0.187 42.059 42.059 0.312 0.000 1.137 344 L HN 0.581 nan 8.230 nan 0.000 0.470 345 G N -0.815 108.065 108.800 0.133 0.000 2.143 345 G HA2 -0.314 1.649 3.960 -3.330 0.000 0.249 345 G HA3 -0.314 1.649 3.960 -3.330 0.000 0.249 345 G C -0.102 174.735 174.900 -0.105 0.000 0.981 345 G CA -0.183 44.906 45.100 -0.019 0.000 0.665 345 G HN 0.267 nan 8.290 nan 0.000 0.528 346 Y N -0.009 120.368 120.300 0.129 0.000 2.432 346 Y HA 0.556 3.109 4.550 -3.328 0.000 0.322 346 Y C -1.767 174.195 175.900 0.104 0.000 1.246 346 Y CA -2.452 55.720 58.100 0.119 0.000 1.268 346 Y CB 0.830 39.407 38.460 0.196 0.000 1.276 346 Y HN -0.070 nan 8.280 nan 0.000 0.499 347 P HA -0.026 nan 4.420 nan 0.000 0.265 347 P C 0.480 177.884 177.300 0.173 0.000 1.193 347 P CA 0.353 63.543 63.100 0.149 0.000 0.765 347 P CB 0.630 32.394 31.700 0.107 0.000 0.823 348 E N 2.031 122.324 120.200 0.156 0.000 2.130 348 E HA -0.230 2.123 4.350 -3.330 0.000 0.196 348 E C 1.188 177.929 176.600 0.237 0.000 0.998 348 E CA 1.920 58.436 56.400 0.192 0.000 0.806 348 E CB -0.067 29.738 29.700 0.175 0.000 0.738 348 E HN 0.555 nan 8.360 nan 0.000 0.459 349 T N -1.782 112.885 114.554 0.188 0.000 3.148 349 T HA 0.038 2.390 4.350 -3.330 0.000 0.253 349 T C 0.580 175.350 174.700 0.117 0.000 1.134 349 T CA 0.155 62.390 62.100 0.226 0.000 1.051 349 T CB -0.265 68.634 68.868 0.051 0.000 0.959 349 T HN -0.107 nan 8.240 nan 0.000 0.525 350 T N 2.578 117.157 114.554 0.042 0.000 2.822 350 T HA 0.388 2.740 4.350 -3.330 0.000 0.288 350 T C 1.486 176.023 174.700 -0.273 0.000 0.991 350 T CA 0.632 62.632 62.100 -0.166 0.000 1.176 350 T CB -0.092 68.635 68.868 -0.234 0.000 0.951 350 T HN 0.762 nan 8.240 nan 0.000 0.526 351 G N 2.951 111.541 108.800 -0.350 0.000 2.203 351 G HA2 -0.245 1.717 3.960 -3.330 0.000 0.263 351 G HA3 -0.245 1.717 3.960 -3.330 0.000 0.263 351 G C 0.409 175.313 174.900 0.008 0.000 1.012 351 G CA 0.153 45.111 45.100 -0.237 0.000 0.749 351 G HN 0.736 nan 8.290 nan 0.000 0.512 352 L N -0.714 120.533 121.223 0.039 0.000 3.267 352 L HA 0.392 2.734 4.340 -3.330 0.000 0.289 352 L C 1.574 178.582 176.870 0.229 0.000 1.260 352 L CA -0.217 54.727 54.840 0.175 0.000 1.034 352 L CB 0.446 42.572 42.059 0.111 0.000 1.413 352 L HN 0.181 nan 8.230 nan 0.000 0.594 353 L N -0.331 120.920 121.223 0.047 0.000 2.685 353 L HA 0.169 2.512 4.340 -3.330 0.000 0.233 353 L C 0.580 177.512 176.870 0.103 0.000 1.173 353 L CA -0.272 54.630 54.840 0.102 0.000 0.961 353 L CB -0.451 41.627 42.059 0.030 0.000 1.217 353 L HN 0.302 nan 8.230 nan 0.000 0.478 354 H N 1.436 120.566 119.070 0.101 0.000 3.034 354 H HA 0.056 2.618 4.556 -3.324 0.000 0.324 354 H C 0.073 175.513 175.328 0.188 0.000 1.015 354 H CA 0.093 56.200 56.048 0.097 0.000 1.429 354 H CB 0.684 30.472 29.762 0.044 0.000 1.429 354 H HN 0.163 nan 8.280 nan 0.000 0.585 355 Q N 3.326 123.287 119.800 0.269 0.000 2.260 355 Q HA 0.254 2.596 4.340 -3.330 0.000 0.242 355 Q C -2.085 174.043 176.000 0.214 0.000 0.932 355 Q CA -2.136 53.819 55.803 0.254 0.000 0.891 355 Q CB 0.512 29.343 28.738 0.154 0.000 1.222 355 Q HN 0.475 nan 8.270 nan 0.000 0.453 356 P HA -0.079 nan 4.420 nan 0.000 0.263 356 P C -0.519 176.877 177.300 0.160 0.000 1.175 356 P CA -0.119 63.082 63.100 0.168 0.000 0.761 356 P CB 0.289 32.077 31.700 0.146 0.000 0.794 357 L N 5.599 126.903 121.223 0.135 0.000 2.358 357 L HA 0.446 2.788 4.340 -3.330 0.000 0.274 357 L C -1.127 175.833 176.870 0.150 0.000 1.136 357 L CA -0.106 54.799 54.840 0.108 0.000 0.970 357 L CB -1.288 40.800 42.059 0.048 0.000 1.314 357 L HN 0.160 nan 8.230 nan 0.000 0.427 358 F N 5.716 125.690 119.950 0.040 0.000 2.540 358 F HA 0.762 3.290 4.527 -3.331 0.000 0.317 358 F C -1.805 174.016 175.800 0.035 0.000 1.104 358 F CA -1.473 56.555 58.000 0.046 0.000 0.913 358 F CB 0.856 39.892 39.000 0.060 0.000 1.170 358 F HN 0.437 nan 8.300 nan 0.000 0.450 359 P HA 0.000 nan 4.420 nan 0.000 0.216 359 P CA 0.000 62.343 63.100 -1.262 0.000 0.800 359 P CB 0.000 31.122 31.700 -0.964 0.000 0.726