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 2w67_1_A DATA FIRST_RESID 5 DATA SEQUENCE LQPPPQQLIV QNKTIDLPAV YQLNGGEEAN PHAVKVLKEL LSGKQSXXKG DATA SEQUENCE MLISIGEKGD KSVRKYSRQI PDHKEGYYLS VNEKEIVLAG NDERGTYYAL DATA SEQUENCE QTFAQLLKDG KLPEVEIKDY PSVRYRGVVE GFYGTPWSHQ ARLSQLKFYG DATA SEQUENCE KNKMNTYIYG PKDDPYHSAP NWRLPYPDKE AAQLQELVAV ANENEVDFVW DATA SEQUENCE AIHPGQDIKW NKEDRDLLLA KFEKMYQLGV RSFAVFFDDI SGEGTNPQKQ DATA SEQUENCE AELLNYIDEK FAQVKPDINQ LVMCPTEYNK SWSNPNGNYL TTLGDKLNPS DATA SEQUENCE IQIMWTGDRV ISDITRDGIS WINERIKRPA YIWWNFPVSD YVRDHLLLGP DATA SEQUENCE VYGNDTTIAK EMSGFVTNPM EHAESSKIAI YSVASYAWNP AKYDTWQTWK DATA SEQUENCE DAIRTILPSA AEELECFAMH NSDLGPNGHG YRREESMDIQ PAAERFLKAF DATA SEQUENCE KEGKNYDKAD FETLQYTFER MKESADILLM NTENKPLIVE ITPWVHQFKL DATA SEQUENCE TAEMGEEVLK MVEGRNESYF LRKYNHVKAL QQQMFYIDQT SNQNPYQPGV DATA SEQUENCE KTATRVIKPL IDRTFATVVK FFNQKFNAHL DATTDYMPHK MXXXXXXXXN DATA SEQUENCE LPLQVKANRV LISPXXXXXX XXXXXXVEIE LDAIYPGENI QINFXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXGL QKAPVKFVRF XXXXXXXXXX DATA SEQUENCE XXXQFVLTIE K 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.809 176.870 -0.101 0.000 1.165 5 L CA 0.000 54.795 54.840 -0.076 0.000 0.813 5 L CB 0.000 42.012 42.059 -0.078 0.000 0.961 6 Q N 3.154 122.860 119.800 -0.157 0.000 2.330 6 Q HA 0.543 5.179 4.340 0.494 0.000 0.269 6 Q C -2.512 173.230 176.000 -0.431 0.000 1.022 6 Q CA -1.766 53.879 55.803 -0.263 0.000 0.796 6 Q CB 2.993 31.558 28.738 -0.289 0.000 1.271 6 Q HN 0.211 nan 8.270 nan 0.000 0.450 7 P HA 0.190 nan 4.420 nan 0.000 0.274 7 P C -2.508 174.623 177.300 -0.281 0.000 1.246 7 P CA -1.335 61.549 63.100 -0.361 0.000 0.795 7 P CB -0.174 31.275 31.700 -0.419 0.000 1.006 8 P HA 0.199 nan 4.420 nan 0.000 0.276 8 P C -2.520 174.777 177.300 -0.005 0.000 1.235 8 P CA -1.713 61.355 63.100 -0.053 0.000 0.772 8 P CB -0.556 31.141 31.700 -0.006 0.000 0.871 9 P HA 0.075 nan 4.420 nan 0.000 0.272 9 P C 1.091 178.380 177.300 -0.019 0.000 1.223 9 P CA -0.021 63.101 63.100 0.036 0.000 0.784 9 P CB 0.718 32.424 31.700 0.009 0.000 0.923 10 Q N 0.358 120.091 119.800 -0.111 0.000 2.084 10 Q HA -0.139 4.497 4.340 0.494 0.000 0.202 10 Q C 0.782 176.713 176.000 -0.116 0.000 0.978 10 Q CA 1.659 57.316 55.803 -0.242 0.000 0.844 10 Q CB 0.100 28.457 28.738 -0.636 0.000 0.898 10 Q HN 0.598 nan 8.270 nan 0.000 0.426 11 Q N -0.289 119.466 119.800 -0.074 0.000 2.331 11 Q HA 0.520 5.156 4.340 0.494 0.000 0.272 11 Q C -2.022 173.977 176.000 -0.003 0.000 1.062 11 Q CA -0.514 55.278 55.803 -0.018 0.000 0.806 11 Q CB 1.607 30.357 28.738 0.020 0.000 1.312 11 Q HN 0.095 nan 8.270 nan 0.000 0.431 12 L N 4.855 126.082 121.223 0.006 0.000 2.516 12 L HA 0.604 5.241 4.340 0.494 0.000 0.267 12 L C -2.108 174.771 176.870 0.015 0.000 0.957 12 L CA -0.152 54.693 54.840 0.008 0.000 0.860 12 L CB 1.954 44.013 42.059 -0.000 0.000 1.265 12 L HN 0.730 nan 8.230 nan 0.000 0.403 13 I N 5.955 126.537 120.570 0.020 0.000 2.439 13 I HA 0.485 4.951 4.170 0.494 0.000 0.283 13 I C -0.816 175.311 176.117 0.017 0.000 1.023 13 I CA -0.712 60.601 61.300 0.023 0.000 1.100 13 I CB 1.932 39.953 38.000 0.036 0.000 1.238 13 I HN 0.302 nan 8.210 nan 0.000 0.445 14 V N 6.023 125.944 119.914 0.012 0.000 2.547 14 V HA 0.256 4.672 4.120 0.494 0.000 0.299 14 V C 0.457 176.557 176.094 0.009 0.000 1.040 14 V CA -0.307 61.997 62.300 0.007 0.000 0.913 14 V CB 1.941 33.765 31.823 0.001 0.000 0.992 14 V HN 0.688 nan 8.190 nan 0.000 0.449 15 Q N 1.997 121.802 119.800 0.008 0.000 2.396 15 Q HA 0.181 4.817 4.340 0.494 0.000 0.220 15 Q C 0.832 176.837 176.000 0.008 0.000 0.900 15 Q CA 0.859 56.668 55.803 0.011 0.000 0.925 15 Q CB 0.077 28.823 28.738 0.014 0.000 1.065 15 Q HN 0.880 nan 8.270 nan 0.000 0.535 16 N N -1.148 117.554 118.700 0.003 0.000 2.878 16 N HA -0.176 4.861 4.740 0.494 0.000 0.247 16 N C -1.025 174.486 175.510 0.003 0.000 1.021 16 N CA 1.109 54.160 53.050 0.002 0.000 0.873 16 N CB -0.839 37.650 38.487 0.003 0.000 1.128 16 N HN 0.151 nan 8.380 nan 0.000 0.571 17 K N 0.071 120.473 120.400 0.005 0.000 2.095 17 K HA 0.623 5.239 4.320 0.494 0.000 0.252 17 K C 0.136 176.736 176.600 0.000 0.000 0.977 17 K CA -0.253 56.037 56.287 0.005 0.000 0.900 17 K CB 1.122 33.628 32.500 0.010 0.000 1.060 17 K HN 0.198 nan 8.250 nan 0.000 0.449 18 T N -0.412 114.141 114.554 -0.001 0.000 2.881 18 T HA 0.591 5.237 4.350 0.494 0.000 0.290 18 T C -0.304 174.395 174.700 -0.002 0.000 1.000 18 T CA -0.955 61.141 62.100 -0.007 0.000 0.978 18 T CB 0.396 69.255 68.868 -0.014 0.000 0.997 18 T HN 0.562 nan 8.240 nan 0.000 0.443 19 I N -0.529 120.041 120.570 -0.000 0.000 2.750 19 I HA 0.837 5.303 4.170 0.494 0.000 0.308 19 I C -1.063 175.055 176.117 0.002 0.000 1.016 19 I CA -0.897 60.408 61.300 0.008 0.000 1.098 19 I CB 1.570 39.582 38.000 0.021 0.000 1.279 19 I HN 0.404 nan 8.210 nan 0.000 0.454 20 D N 3.567 123.973 120.400 0.009 0.000 2.283 20 D HA 0.352 5.288 4.640 0.494 0.000 0.248 20 D C -0.394 175.915 176.300 0.015 0.000 1.072 20 D CA -0.213 53.790 54.000 0.005 0.000 0.929 20 D CB 1.593 42.398 40.800 0.010 0.000 1.182 20 D HN 0.538 nan 8.370 nan 0.000 0.433 21 L N 3.769 124.994 121.223 0.003 0.000 2.597 21 L HA 0.157 4.794 4.340 0.494 0.000 0.271 21 L C -1.821 175.072 176.870 0.039 0.000 1.157 21 L CA -1.365 53.485 54.840 0.016 0.000 0.928 21 L CB 0.305 42.356 42.059 -0.014 0.000 1.216 21 L HN 0.232 nan 8.230 nan 0.000 0.481 22 P HA -0.067 nan 4.420 nan 0.000 0.256 22 P C 0.307 177.690 177.300 0.139 0.000 1.173 22 P CA 0.149 63.309 63.100 0.099 0.000 0.768 22 P CB 0.960 32.740 31.700 0.132 0.000 0.758 23 A N 4.694 127.577 122.820 0.105 0.000 1.908 23 A HA -0.063 4.554 4.320 0.494 0.000 0.218 23 A C 1.005 178.671 177.584 0.137 0.000 1.181 23 A CA 1.363 53.463 52.037 0.105 0.000 0.627 23 A CB -0.473 18.564 19.000 0.061 0.000 0.818 23 A HN 0.457 nan 8.150 nan 0.000 0.445 24 V N 0.515 120.497 119.914 0.114 0.000 2.384 24 V HA 0.519 4.936 4.120 0.494 0.000 0.287 24 V C -0.670 175.498 176.094 0.123 0.000 1.020 24 V CA -0.641 61.698 62.300 0.066 0.000 0.850 24 V CB 0.625 32.455 31.823 0.011 0.000 0.987 24 V HN 0.501 nan 8.190 nan 0.000 0.436 25 Y N 1.975 122.285 120.300 0.017 0.000 2.576 25 Y HA 0.790 5.637 4.550 0.494 0.000 0.346 25 Y C -0.558 175.350 175.900 0.013 0.000 1.018 25 Y CA -1.378 56.732 58.100 0.017 0.000 1.050 25 Y CB 1.802 40.274 38.460 0.019 0.000 1.280 25 Y HN 0.553 nan 8.280 nan 0.000 0.474 26 Q N 2.870 122.755 119.800 0.142 0.000 2.325 26 Q HA 0.526 5.163 4.340 0.494 0.000 0.270 26 Q C -2.193 173.917 176.000 0.183 0.000 1.020 26 Q CA -1.098 54.746 55.803 0.067 0.000 0.785 26 Q CB 1.893 30.654 28.738 0.037 0.000 1.259 26 Q HN 0.887 nan 8.270 nan 0.000 0.452 27 L N 4.283 125.615 121.223 0.182 0.000 2.275 27 L HA 0.514 5.150 4.340 0.494 0.000 0.288 27 L C -1.357 175.566 176.870 0.088 0.000 1.046 27 L CA 0.001 54.944 54.840 0.171 0.000 0.805 27 L CB 1.264 43.456 42.059 0.221 0.000 1.193 27 L HN 0.715 nan 8.230 nan 0.000 0.426 28 N N 3.665 122.407 118.700 0.069 0.000 2.479 28 N HA 0.683 5.719 4.740 0.494 0.000 0.261 28 N C 0.317 175.855 175.510 0.047 0.000 0.979 28 N CA 0.335 53.419 53.050 0.056 0.000 0.930 28 N CB 1.490 40.017 38.487 0.065 0.000 1.172 28 N HN 0.845 nan 8.380 nan 0.000 0.499 29 G N 1.753 110.576 108.800 0.039 0.000 2.336 29 G HA2 -0.196 4.060 3.960 0.494 0.000 0.194 29 G HA3 -0.196 4.060 3.960 0.494 0.000 0.194 29 G C 1.064 175.977 174.900 0.021 0.000 0.999 29 G CA 0.172 45.291 45.100 0.030 0.000 0.669 29 G HN 0.839 nan 8.290 nan 0.000 0.482 30 G N 0.687 109.502 108.800 0.025 0.000 2.547 30 G HA2 -0.152 4.105 3.960 0.494 0.000 0.221 30 G HA3 -0.152 4.105 3.960 0.494 0.000 0.221 30 G C 1.188 176.097 174.900 0.014 0.000 1.140 30 G CA 1.624 46.737 45.100 0.022 0.000 0.760 30 G HN 0.591 nan 8.290 nan 0.000 0.583 31 E N -0.097 120.111 120.200 0.014 0.000 2.479 31 E HA 0.098 4.745 4.350 0.494 0.000 0.193 31 E C 1.935 178.536 176.600 0.001 0.000 1.049 31 E CA 0.534 56.938 56.400 0.006 0.000 0.870 31 E CB 0.233 29.937 29.700 0.008 0.000 0.944 31 E HN 0.852 nan 8.360 nan 0.000 0.492 32 E N 0.020 120.222 120.200 0.004 0.000 2.508 32 E HA 0.219 4.866 4.350 0.494 0.000 0.217 32 E C 0.502 177.100 176.600 -0.002 0.000 0.896 32 E CA -0.125 56.276 56.400 0.002 0.000 1.118 32 E CB 0.459 30.165 29.700 0.010 0.000 1.133 32 E HN 0.050 nan 8.360 nan 0.000 0.526 33 A N 1.680 124.498 122.820 -0.003 0.000 2.271 33 A HA 0.262 4.878 4.320 0.494 0.000 0.288 33 A C 0.053 177.619 177.584 -0.031 0.000 1.094 33 A CA -0.456 51.576 52.037 -0.007 0.000 0.828 33 A CB 0.351 19.351 19.000 -0.001 0.000 1.091 33 A HN 0.249 nan 8.150 nan 0.000 0.493 34 N N 0.926 119.602 118.700 -0.040 0.000 2.315 34 N HA 0.007 5.044 4.740 0.494 0.000 0.270 34 N C -1.806 173.646 175.510 -0.096 0.000 1.329 34 N CA -1.168 51.823 53.050 -0.097 0.000 0.860 34 N CB 0.533 38.980 38.487 -0.067 0.000 1.095 34 N HN 0.170 nan 8.380 nan 0.000 0.487 35 P HA -0.140 nan 4.420 nan 0.000 0.218 35 P C 0.517 177.822 177.300 0.009 0.000 1.148 35 P CA 1.534 64.580 63.100 -0.091 0.000 0.822 35 P CB 0.011 31.637 31.700 -0.123 0.000 0.784 36 H N -0.596 118.487 119.070 0.021 0.000 2.319 36 H HA -0.076 4.777 4.556 0.494 0.000 0.299 36 H C 2.048 177.508 175.328 0.220 0.000 1.092 36 H CA 0.987 57.072 56.048 0.062 0.000 1.302 36 H CB -0.510 29.169 29.762 -0.138 0.000 1.373 36 H HN 0.088 nan 8.280 nan 0.000 0.497 37 A N 0.754 123.770 122.820 0.327 0.000 1.898 37 A HA -0.107 4.510 4.320 0.494 0.000 0.216 37 A C 2.583 180.219 177.584 0.087 0.000 1.181 37 A CA 1.359 53.530 52.037 0.223 0.000 0.620 37 A CB -0.716 18.361 19.000 0.128 0.000 0.819 37 A HN 0.220 nan 8.150 nan 0.000 0.442 38 V N 0.305 120.254 119.914 0.058 0.000 2.490 38 V HA -0.255 4.161 4.120 0.494 0.000 0.250 38 V C 2.490 178.609 176.094 0.041 0.000 1.061 38 V CA 2.281 64.597 62.300 0.025 0.000 1.064 38 V CB -0.623 31.210 31.823 0.017 0.000 0.670 38 V HN 0.605 nan 8.190 nan 0.000 0.461 39 K N -0.024 120.423 120.400 0.078 0.000 2.025 39 K HA -0.140 4.476 4.320 0.494 0.000 0.207 39 K C 2.131 178.772 176.600 0.067 0.000 1.049 39 K CA 1.527 57.862 56.287 0.080 0.000 0.933 39 K CB -0.179 32.389 32.500 0.114 0.000 0.714 39 K HN 0.346 nan 8.250 nan 0.000 0.438 40 V N 1.970 121.933 119.914 0.080 0.000 2.287 40 V HA -0.284 4.133 4.120 0.494 0.000 0.248 40 V C 2.372 178.477 176.094 0.018 0.000 1.053 40 V CA 1.733 64.055 62.300 0.037 0.000 1.027 40 V CB -0.518 31.297 31.823 -0.015 0.000 0.646 40 V HN 0.362 nan 8.190 nan 0.000 0.447 41 L N 0.270 121.493 121.223 0.001 0.000 1.990 41 L HA -0.218 4.418 4.340 0.494 0.000 0.213 41 L C 2.431 179.287 176.870 -0.023 0.000 1.072 41 L CA 2.086 56.912 54.840 -0.024 0.000 0.755 41 L CB -0.766 41.241 42.059 -0.088 0.000 0.889 41 L HN 0.221 nan 8.230 nan 0.000 0.432 42 K N -0.522 119.874 120.400 -0.005 0.000 2.063 42 K HA -0.209 4.407 4.320 0.494 0.000 0.208 42 K C 1.985 178.595 176.600 0.017 0.000 1.048 42 K CA 1.937 58.231 56.287 0.012 0.000 0.928 42 K CB -0.221 32.304 32.500 0.041 0.000 0.713 42 K HN 0.505 nan 8.250 nan 0.000 0.442 43 E N 0.847 121.059 120.200 0.020 0.000 2.058 43 E HA -0.178 4.469 4.350 0.494 0.000 0.194 43 E C 1.945 178.549 176.600 0.007 0.000 0.997 43 E CA 1.059 57.469 56.400 0.017 0.000 0.801 43 E CB -0.132 29.579 29.700 0.018 0.000 0.746 43 E HN 0.231 nan 8.360 nan 0.000 0.450 44 L N 0.396 121.622 121.223 0.006 0.000 2.265 44 L HA -0.141 4.495 4.340 0.494 0.000 0.215 44 L C 1.807 178.669 176.870 -0.015 0.000 1.117 44 L CA 0.648 55.488 54.840 -0.000 0.000 0.782 44 L CB -0.128 41.952 42.059 0.035 0.000 0.914 44 L HN 0.144 nan 8.230 nan 0.000 0.441 45 L N -1.441 119.763 121.223 -0.031 0.000 2.700 45 L HA 0.163 4.799 4.340 0.494 0.000 0.234 45 L C 0.965 177.853 176.870 0.031 0.000 1.156 45 L CA -0.343 54.459 54.840 -0.063 0.000 0.946 45 L CB 0.200 42.101 42.059 -0.264 0.000 1.216 45 L HN -0.005 nan 8.230 nan 0.000 0.493 46 S N 0.650 116.370 115.700 0.034 0.000 2.558 46 S HA 0.226 4.992 4.470 0.494 0.000 0.287 46 S C 1.146 175.781 174.600 0.057 0.000 1.321 46 S CA 0.612 58.843 58.200 0.051 0.000 1.048 46 S CB 0.497 63.716 63.200 0.031 0.000 0.844 46 S HN 0.636 nan 8.310 nan 0.000 0.512 47 G N 3.074 111.913 108.800 0.065 0.000 2.359 47 G HA2 -0.214 4.042 3.960 0.494 0.000 0.298 47 G HA3 -0.214 4.042 3.960 0.494 0.000 0.298 47 G C -0.458 174.496 174.900 0.090 0.000 1.030 47 G CA 0.075 45.211 45.100 0.061 0.000 1.149 47 G HN 0.550 nan 8.290 nan 0.000 0.512 48 K N -0.014 120.475 120.400 0.148 0.000 2.569 48 K HA 0.347 4.963 4.320 0.494 0.000 0.259 48 K C -0.643 176.114 176.600 0.261 0.000 0.932 48 K CA -0.943 55.487 56.287 0.239 0.000 0.833 48 K CB 1.811 34.491 32.500 0.299 0.000 1.340 48 K HN 0.274 nan 8.250 nan 0.000 0.429 49 Q N 0.851 120.695 119.800 0.073 0.000 2.301 49 Q HA 0.494 5.130 4.340 0.494 0.000 0.267 49 Q C -0.287 175.377 176.000 -0.560 0.000 1.035 49 Q CA -0.720 54.990 55.803 -0.155 0.000 0.856 49 Q CB 2.359 31.047 28.738 -0.084 0.000 1.337 49 Q HN 0.631 nan 8.270 nan 0.000 0.450 54 G N 0.242 109.045 108.800 0.005 0.000 2.434 54 G HA2 0.018 4.274 3.960 0.494 0.000 0.671 54 G HA3 0.018 4.274 3.960 0.494 0.000 0.671 54 G C -1.159 173.778 174.900 0.061 0.000 1.280 54 G CA -0.413 44.704 45.100 0.028 0.000 0.975 54 G HN 0.722 nan 8.290 nan 0.000 0.510 55 M N 0.476 120.132 119.600 0.094 0.000 2.238 55 M HA 0.464 5.240 4.480 0.494 0.000 0.350 55 M C 0.441 176.808 176.300 0.111 0.000 1.321 55 M CA -0.613 54.744 55.300 0.095 0.000 1.097 55 M CB 0.504 33.162 32.600 0.097 0.000 1.713 55 M HN 0.815 nan 8.290 nan 0.000 0.455 56 L N 7.363 128.638 121.223 0.087 0.000 2.410 56 L HA 0.369 5.005 4.340 0.494 0.000 0.273 56 L C -1.192 175.719 176.870 0.068 0.000 1.152 56 L CA 0.587 55.479 54.840 0.087 0.000 0.855 56 L CB 0.270 42.378 42.059 0.082 0.000 1.129 56 L HN 0.608 nan 8.230 nan 0.000 0.463 57 I N 4.502 125.111 120.570 0.065 0.000 2.389 57 I HA 0.348 4.814 4.170 0.494 0.000 0.288 57 I C -0.390 175.721 176.117 -0.009 0.000 0.999 57 I CA -0.335 60.958 61.300 -0.012 0.000 1.129 57 I CB 1.566 39.525 38.000 -0.067 0.000 1.288 57 I HN 0.560 nan 8.210 nan 0.000 0.444 58 S N 7.271 122.948 115.700 -0.038 0.000 2.456 58 S HA 0.615 5.381 4.470 0.494 0.000 0.316 58 S C -0.489 174.081 174.600 -0.050 0.000 1.089 58 S CA -0.506 57.695 58.200 0.001 0.000 1.101 58 S CB 1.596 64.852 63.200 0.093 0.000 0.995 58 S HN 0.507 nan 8.310 nan 0.000 0.468 59 I N 2.576 123.130 120.570 -0.027 0.000 2.569 59 I HA 0.838 5.305 4.170 0.494 0.000 0.296 59 I C -0.021 176.102 176.117 0.009 0.000 1.028 59 I CA 0.083 61.359 61.300 -0.039 0.000 1.082 59 I CB 1.592 39.554 38.000 -0.064 0.000 1.264 59 I HN 0.815 nan 8.210 nan 0.000 0.429 60 G N 5.053 113.866 108.800 0.022 0.000 2.325 60 G HA2 0.283 4.539 3.960 0.494 0.000 0.297 60 G HA3 0.283 4.539 3.960 0.494 0.000 0.297 60 G C -2.044 172.893 174.900 0.061 0.000 1.448 60 G CA -0.794 44.331 45.100 0.042 0.000 0.838 60 G HN 0.498 nan 8.290 nan 0.000 0.579 61 E N 0.519 120.753 120.200 0.057 0.000 2.248 61 E HA 0.493 5.140 4.350 0.494 0.000 0.272 61 E C 0.323 176.965 176.600 0.071 0.000 1.008 61 E CA -0.809 55.632 56.400 0.067 0.000 0.856 61 E CB 1.348 31.076 29.700 0.048 0.000 1.120 61 E HN 0.574 nan 8.360 nan 0.000 0.397 62 K N 0.724 121.170 120.400 0.078 0.000 2.543 62 K HA -0.019 4.597 4.320 0.494 0.000 0.279 62 K C 0.800 177.425 176.600 0.043 0.000 1.001 62 K CA 1.461 57.786 56.287 0.062 0.000 1.088 62 K CB -0.208 32.324 32.500 0.053 0.000 0.863 62 K HN 0.735 nan 8.250 nan 0.000 0.488 63 G N 3.246 112.067 108.800 0.036 0.000 2.279 63 G HA2 -0.212 4.044 3.960 0.494 0.000 0.223 63 G HA3 -0.212 4.044 3.960 0.494 0.000 0.223 63 G C -0.411 174.504 174.900 0.025 0.000 1.015 63 G CA 0.063 45.177 45.100 0.024 0.000 0.621 63 G HN 0.697 nan 8.290 nan 0.000 0.506 64 D N 1.282 121.703 120.400 0.035 0.000 2.424 64 D HA 0.379 5.315 4.640 0.494 0.000 0.244 64 D C 1.603 177.925 176.300 0.038 0.000 1.134 64 D CA -0.081 53.940 54.000 0.034 0.000 0.881 64 D CB 0.915 41.739 40.800 0.041 0.000 1.191 64 D HN 0.340 nan 8.370 nan 0.000 0.445 65 K N 0.936 121.353 120.400 0.029 0.000 2.059 65 K HA -0.210 4.407 4.320 0.494 0.000 0.212 65 K C 1.937 178.563 176.600 0.043 0.000 1.050 65 K CA 1.762 58.065 56.287 0.027 0.000 0.927 65 K CB -0.240 32.273 32.500 0.021 0.000 0.714 65 K HN 0.474 nan 8.250 nan 0.000 0.447 66 S N 0.778 116.511 115.700 0.055 0.000 2.419 66 S HA -0.107 4.659 4.470 0.494 0.000 0.235 66 S C 1.895 176.576 174.600 0.134 0.000 1.019 66 S CA 1.432 59.679 58.200 0.079 0.000 0.982 66 S CB -0.506 62.735 63.200 0.068 0.000 0.789 66 S HN 0.237 nan 8.310 nan 0.000 0.490 67 V N -2.487 117.510 119.914 0.139 0.000 3.276 67 V HA 0.443 4.859 4.120 0.494 0.000 0.319 67 V C 1.784 177.982 176.094 0.173 0.000 1.427 67 V CA -0.498 61.950 62.300 0.247 0.000 1.102 67 V CB -0.625 31.335 31.823 0.229 0.000 1.020 67 V HN 0.189 nan 8.190 nan 0.000 0.456 68 R N 1.345 121.881 120.500 0.059 0.000 2.119 68 R HA -0.193 4.443 4.340 0.494 0.000 0.246 68 R C 2.251 178.496 176.300 -0.092 0.000 1.146 68 R CA 2.210 58.306 56.100 -0.006 0.000 0.962 68 R CB -0.382 29.905 30.300 -0.020 0.000 0.863 68 R HN 0.543 nan 8.270 nan 0.000 0.442 69 K N -0.163 120.095 120.400 -0.236 0.000 2.362 69 K HA -0.183 4.433 4.320 0.494 0.000 0.202 69 K C 0.437 176.702 176.600 -0.558 0.000 1.045 69 K CA 1.373 57.364 56.287 -0.493 0.000 0.936 69 K CB 0.147 32.170 32.500 -0.794 0.000 0.747 69 K HN 0.284 nan 8.250 nan 0.000 0.467 70 Y N -1.058 119.230 120.300 -0.019 0.000 2.527 70 Y HA 0.091 4.937 4.550 0.494 0.000 0.247 70 Y C 1.965 177.800 175.900 -0.108 0.000 1.138 70 Y CA 0.083 58.136 58.100 -0.077 0.000 1.228 70 Y CB 0.359 38.812 38.460 -0.011 0.000 1.252 70 Y HN 0.087 nan 8.280 nan 0.000 0.531 71 S N 0.462 116.187 115.700 0.043 0.000 2.402 71 S HA -0.286 4.480 4.470 0.494 0.000 0.233 71 S C 1.949 176.536 174.600 -0.022 0.000 1.030 71 S CA 1.451 59.663 58.200 0.021 0.000 1.003 71 S CB -0.221 62.982 63.200 0.004 0.000 0.813 71 S HN 0.477 nan 8.310 nan 0.000 0.477 72 R N 0.901 121.370 120.500 -0.052 0.000 2.115 72 R HA 0.042 4.679 4.340 0.494 0.000 0.230 72 R C 2.711 178.948 176.300 -0.106 0.000 1.111 72 R CA 1.543 57.602 56.100 -0.069 0.000 0.976 72 R CB -0.183 30.076 30.300 -0.069 0.000 0.870 72 R HN 0.591 nan 8.270 nan 0.000 0.445 73 Q N 0.229 119.908 119.800 -0.201 0.000 2.311 73 Q HA 0.007 4.643 4.340 0.494 0.000 0.203 73 Q C 0.551 176.401 176.000 -0.251 0.000 0.954 73 Q CA 0.636 56.191 55.803 -0.414 0.000 0.885 73 Q CB 0.145 28.213 28.738 -1.116 0.000 0.963 73 Q HN 0.372 nan 8.270 nan 0.000 0.471 74 I N 3.989 124.507 120.570 -0.087 0.000 2.436 74 I HA 0.068 4.534 4.170 0.494 0.000 0.289 74 I C -2.083 174.074 176.117 0.067 0.000 1.083 74 I CA -1.893 59.452 61.300 0.075 0.000 1.372 74 I CB 0.339 38.405 38.000 0.109 0.000 1.408 74 I HN -0.194 nan 8.210 nan 0.000 0.516 75 P HA -0.082 nan 4.420 nan 0.000 0.264 75 P C -0.366 176.958 177.300 0.041 0.000 1.183 75 P CA 0.014 63.173 63.100 0.098 0.000 0.763 75 P CB 0.386 32.191 31.700 0.174 0.000 0.807 76 D N 3.302 123.651 120.400 -0.084 0.000 2.801 76 D HA 0.017 4.953 4.640 0.494 0.000 0.232 76 D C -0.597 175.429 176.300 -0.458 0.000 1.128 76 D CA 0.176 54.055 54.000 -0.202 0.000 1.003 76 D CB -0.803 39.865 40.800 -0.221 0.000 1.110 76 D HN 0.309 nan 8.370 nan 0.000 0.477 77 H N 1.499 120.471 119.070 -0.164 0.000 2.865 77 H HA 0.177 5.029 4.556 0.493 0.000 0.362 77 H C 0.148 175.450 175.328 -0.044 0.000 1.114 77 H CA -0.921 55.019 56.048 -0.181 0.000 1.208 77 H CB 1.364 30.901 29.762 -0.375 0.000 1.727 77 H HN 0.003 nan 8.280 nan 0.000 0.534 78 K N 2.136 122.576 120.400 0.067 0.000 2.543 78 K HA -0.142 4.475 4.320 0.494 0.000 0.279 78 K C 0.745 177.445 176.600 0.167 0.000 1.001 78 K CA 0.723 57.063 56.287 0.089 0.000 1.088 78 K CB 0.202 32.726 32.500 0.039 0.000 0.863 78 K HN 0.825 nan 8.250 nan 0.000 0.488 79 E N -1.333 118.997 120.200 0.218 0.000 3.680 79 E HA -0.219 4.428 4.350 0.494 0.000 0.309 79 E C 0.747 177.662 176.600 0.525 0.000 0.793 79 E CA 1.116 57.740 56.400 0.373 0.000 1.083 79 E CB -1.477 28.505 29.700 0.471 0.000 1.548 79 E HN 0.832 nan 8.360 nan 0.000 0.456 80 G N 0.193 109.226 108.800 0.387 0.000 2.634 80 G HA2 0.418 4.675 3.960 0.494 0.000 0.255 80 G HA3 0.418 4.675 3.960 0.494 0.000 0.255 80 G C -0.297 174.885 174.900 0.471 0.000 1.205 80 G CA 0.358 45.705 45.100 0.411 0.000 0.884 80 G HN 0.282 nan 8.290 nan 0.000 0.549 81 Y N -2.164 118.333 120.300 0.328 0.000 2.677 81 Y HA 0.604 5.450 4.550 0.494 0.000 0.334 81 Y C -1.958 174.115 175.900 0.289 0.000 1.196 81 Y CA -2.082 56.178 58.100 0.267 0.000 1.059 81 Y CB 1.260 39.858 38.460 0.230 0.000 1.315 81 Y HN 0.684 nan 8.280 nan 0.000 0.455 82 Y N 3.381 123.826 120.300 0.241 0.000 2.350 82 Y HA 0.755 5.601 4.550 0.494 0.000 0.338 82 Y C -1.889 174.131 175.900 0.200 0.000 0.961 82 Y CA -1.706 56.471 58.100 0.128 0.000 1.100 82 Y CB 1.730 40.236 38.460 0.077 0.000 1.179 82 Y HN 0.990 nan 8.280 nan 0.000 0.454 83 L N 5.521 126.503 121.223 -0.403 0.000 2.408 83 L HA 0.798 5.435 4.340 0.494 0.000 0.268 83 L C -1.377 175.133 176.870 -0.600 0.000 0.986 83 L CA -0.348 54.284 54.840 -0.347 0.000 0.820 83 L CB 1.917 43.997 42.059 0.035 0.000 1.303 83 L HN 0.678 nan 8.230 nan 0.000 0.411 84 S N 3.277 118.684 115.700 -0.488 0.000 2.572 84 S HA 0.768 5.534 4.470 0.494 0.000 0.274 84 S C -1.610 172.902 174.600 -0.147 0.000 1.150 84 S CA -0.438 57.555 58.200 -0.344 0.000 0.944 84 S CB 1.772 64.729 63.200 -0.406 0.000 1.071 84 S HN 0.425 nan 8.310 nan 0.000 0.479 85 V N 5.485 125.368 119.914 -0.051 0.000 2.525 85 V HA 0.609 5.026 4.120 0.494 0.000 0.299 85 V C -0.468 175.636 176.094 0.018 0.000 1.034 85 V CA -0.783 61.524 62.300 0.012 0.000 0.863 85 V CB 1.503 33.368 31.823 0.069 0.000 0.999 85 V HN 0.987 nan 8.190 nan 0.000 0.423 86 N N 2.339 121.055 118.700 0.027 0.000 3.278 86 N HA 0.404 5.440 4.740 0.494 0.000 0.307 86 N C 0.542 176.075 175.510 0.038 0.000 1.551 86 N CA -0.834 52.236 53.050 0.034 0.000 0.794 86 N CB 0.757 39.270 38.487 0.043 0.000 1.770 86 N HN 0.329 nan 8.380 nan 0.000 0.612 87 E N -0.200 120.022 120.200 0.038 0.000 2.204 87 E HA -0.183 4.463 4.350 0.494 0.000 0.194 87 E C 0.840 177.465 176.600 0.043 0.000 0.989 87 E CA 1.287 57.709 56.400 0.037 0.000 0.824 87 E CB -0.120 29.599 29.700 0.032 0.000 0.756 87 E HN 0.811 nan 8.360 nan 0.000 0.477 88 K N 1.099 121.528 120.400 0.048 0.000 2.334 88 K HA 0.034 4.651 4.320 0.494 0.000 0.195 88 K C 0.580 177.215 176.600 0.060 0.000 1.045 88 K CA 0.415 56.734 56.287 0.054 0.000 1.004 88 K CB 0.345 32.880 32.500 0.057 0.000 0.837 88 K HN 0.146 nan 8.250 nan 0.000 0.510 89 E N 0.047 120.280 120.200 0.055 0.000 2.398 89 E HA 0.316 4.962 4.350 0.494 0.000 0.280 89 E C -1.408 175.200 176.600 0.013 0.000 1.122 89 E CA -0.932 55.497 56.400 0.048 0.000 0.873 89 E CB 0.669 30.414 29.700 0.075 0.000 1.294 89 E HN 0.042 nan 8.360 nan 0.000 0.435 90 I N 1.141 121.697 120.570 -0.024 0.000 2.433 90 I HA 0.437 4.903 4.170 0.494 0.000 0.292 90 I C -0.922 175.093 176.117 -0.171 0.000 1.001 90 I CA -1.189 60.052 61.300 -0.099 0.000 1.119 90 I CB 2.092 40.015 38.000 -0.128 0.000 1.289 90 I HN 0.317 nan 8.210 nan 0.000 0.438 91 V N 7.298 127.060 119.914 -0.254 0.000 2.448 91 V HA 0.479 4.895 4.120 0.494 0.000 0.295 91 V C -0.371 175.541 176.094 -0.305 0.000 1.025 91 V CA -0.534 61.569 62.300 -0.328 0.000 0.859 91 V CB 1.771 33.263 31.823 -0.551 0.000 0.988 91 V HN 0.453 nan 8.190 nan 0.000 0.431 92 L N 4.673 125.757 121.223 -0.231 0.000 2.388 92 L HA 0.835 5.472 4.340 0.494 0.000 0.267 92 L C -0.049 176.795 176.870 -0.044 0.000 0.995 92 L CA -0.332 54.401 54.840 -0.177 0.000 0.864 92 L CB 1.593 43.482 42.059 -0.284 0.000 1.216 92 L HN 0.741 nan 8.230 nan 0.000 0.430 93 A N 2.170 125.036 122.820 0.075 0.000 2.357 93 A HA 0.829 5.445 4.320 0.494 0.000 0.295 93 A C -0.008 177.713 177.584 0.229 0.000 1.121 93 A CA -0.381 51.747 52.037 0.152 0.000 0.742 93 A CB 1.345 20.470 19.000 0.208 0.000 1.181 93 A HN 0.627 nan 8.150 nan 0.000 0.454 94 G N 0.632 109.540 108.800 0.180 0.000 2.412 94 G HA2 0.388 4.644 3.960 0.494 0.000 0.318 94 G HA3 0.388 4.644 3.960 0.494 0.000 0.318 94 G C 0.546 175.557 174.900 0.184 0.000 1.146 94 G CA -0.374 44.858 45.100 0.221 0.000 0.882 94 G HN 0.709 nan 8.290 nan 0.000 0.501 95 N N -0.145 118.676 118.700 0.202 0.000 2.244 95 N HA -0.043 4.993 4.740 0.494 0.000 0.183 95 N C 0.320 175.893 175.510 0.105 0.000 1.016 95 N CA 1.671 54.804 53.050 0.139 0.000 0.866 95 N CB 0.148 38.717 38.487 0.137 0.000 0.980 95 N HN 0.726 nan 8.380 nan 0.000 0.430 96 D N -2.647 117.823 120.400 0.117 0.000 2.744 96 D HA 0.192 5.128 4.640 0.494 0.000 0.304 96 D C 0.272 176.613 176.300 0.068 0.000 1.179 96 D CA -0.635 53.412 54.000 0.079 0.000 1.024 96 D CB 0.212 41.055 40.800 0.071 0.000 1.453 96 D HN -0.110 nan 8.370 nan 0.000 0.529 97 E N -0.780 119.440 120.200 0.034 0.000 2.110 97 E HA -0.185 4.461 4.350 0.494 0.000 0.193 97 E C 1.754 178.352 176.600 -0.003 0.000 0.988 97 E CA 0.805 57.210 56.400 0.008 0.000 0.804 97 E CB 0.073 29.758 29.700 -0.025 0.000 0.745 97 E HN 0.363 nan 8.360 nan 0.000 0.458 98 R N 0.317 120.798 120.500 -0.031 0.000 2.115 98 R HA -0.078 4.558 4.340 0.494 0.000 0.226 98 R C 2.321 178.501 176.300 -0.201 0.000 1.100 98 R CA 1.263 57.264 56.100 -0.166 0.000 0.980 98 R CB -0.278 29.912 30.300 -0.184 0.000 0.875 98 R HN 0.157 nan 8.270 nan 0.000 0.445 99 G N -0.534 108.297 108.800 0.052 0.000 2.422 99 G HA2 -0.233 4.024 3.960 0.494 0.000 0.218 99 G HA3 -0.233 4.024 3.960 0.494 0.000 0.218 99 G C 1.247 176.250 174.900 0.172 0.000 1.146 99 G CA 1.253 46.511 45.100 0.263 0.000 0.769 99 G HN 0.358 nan 8.290 nan 0.000 0.547 100 T N -0.214 114.397 114.554 0.096 0.000 2.788 100 T HA -0.161 4.485 4.350 0.494 0.000 0.268 100 T C 1.979 176.675 174.700 -0.008 0.000 1.044 100 T CA 1.237 63.361 62.100 0.040 0.000 1.139 100 T CB -0.309 68.584 68.868 0.041 0.000 0.867 100 T HN 0.353 nan 8.240 nan 0.000 0.454 101 Y N 0.859 121.091 120.300 -0.114 0.000 2.200 101 Y HA -0.170 4.676 4.550 0.494 0.000 0.290 101 Y C 2.088 177.955 175.900 -0.056 0.000 1.137 101 Y CA 0.999 59.038 58.100 -0.101 0.000 1.163 101 Y CB -0.450 37.930 38.460 -0.133 0.000 0.988 101 Y HN 0.153 nan 8.280 nan 0.000 0.518 102 Y N -0.224 120.016 120.300 -0.100 0.000 2.224 102 Y HA -0.131 4.714 4.550 0.493 0.000 0.289 102 Y C 2.689 178.117 175.900 -0.788 0.000 1.146 102 Y CA 0.526 58.429 58.100 -0.329 0.000 1.182 102 Y CB -1.531 36.904 38.460 -0.041 0.000 0.983 102 Y HN 0.240 nan 8.280 nan 0.000 0.524 103 A N 0.045 122.367 122.820 -0.830 0.000 1.917 103 A HA -0.177 4.439 4.320 0.494 0.000 0.219 103 A C 2.298 179.617 177.584 -0.442 0.000 1.182 103 A CA 1.570 53.021 52.037 -0.978 0.000 0.633 103 A CB -0.920 17.799 19.000 -0.467 0.000 0.819 103 A HN 0.336 nan 8.150 nan 0.000 0.448 104 L N -0.605 120.424 121.223 -0.322 0.000 2.093 104 L HA -0.137 4.499 4.340 0.494 0.000 0.208 104 L C 2.693 179.439 176.870 -0.207 0.000 1.085 104 L CA 1.506 56.221 54.840 -0.210 0.000 0.755 104 L CB -1.313 40.616 42.059 -0.217 0.000 0.904 104 L HN 0.451 nan 8.230 nan 0.000 0.435 105 Q N -0.792 118.809 119.800 -0.332 0.000 2.124 105 Q HA -0.137 4.500 4.340 0.494 0.000 0.202 105 Q C 2.153 178.016 176.000 -0.229 0.000 0.977 105 Q CA 1.718 57.346 55.803 -0.292 0.000 0.850 105 Q CB -0.646 27.906 28.738 -0.310 0.000 0.901 105 Q HN 0.433 nan 8.270 nan 0.000 0.429 106 T N 0.980 115.386 114.554 -0.247 0.000 2.812 106 T HA -0.088 4.559 4.350 0.494 0.000 0.264 106 T C 1.461 176.127 174.700 -0.057 0.000 1.042 106 T CA 0.736 62.742 62.100 -0.157 0.000 1.140 106 T CB -0.366 68.445 68.868 -0.094 0.000 0.870 106 T HN 0.174 nan 8.240 nan 0.000 0.445 107 F N 2.494 122.326 119.950 -0.196 0.000 2.091 107 F HA -0.145 4.678 4.527 0.493 0.000 0.299 107 F C 2.479 178.198 175.800 -0.135 0.000 1.103 107 F CA 1.062 58.970 58.000 -0.153 0.000 1.228 107 F CB -0.880 38.022 39.000 -0.163 0.000 0.984 107 F HN 0.155 nan 8.300 nan 0.000 0.477 108 A N -0.393 122.366 122.820 -0.102 0.000 1.948 108 A HA -0.281 4.335 4.320 0.494 0.000 0.220 108 A C 2.124 179.587 177.584 -0.202 0.000 1.177 108 A CA 2.038 53.969 52.037 -0.177 0.000 0.636 108 A CB -0.881 18.053 19.000 -0.109 0.000 0.815 108 A HN 0.627 nan 8.150 nan 0.000 0.449 109 Q N -0.719 118.979 119.800 -0.169 0.000 2.172 109 Q HA 0.028 4.664 4.340 0.494 0.000 0.200 109 Q C 1.928 177.832 176.000 -0.160 0.000 0.964 109 Q CA 1.046 56.764 55.803 -0.141 0.000 0.855 109 Q CB -0.235 28.431 28.738 -0.120 0.000 0.918 109 Q HN 0.694 nan 8.270 nan 0.000 0.444 110 L N 0.246 121.344 121.223 -0.208 0.000 2.217 110 L HA -0.069 4.567 4.340 0.494 0.000 0.211 110 L C 0.743 177.452 176.870 -0.267 0.000 1.107 110 L CA -0.070 54.641 54.840 -0.215 0.000 0.783 110 L CB -0.101 41.825 42.059 -0.222 0.000 0.919 110 L HN 0.207 nan 8.230 nan 0.000 0.442 111 L N 1.794 122.799 121.223 -0.364 0.000 2.385 111 L HA 0.156 4.792 4.340 0.494 0.000 0.281 111 L C -0.355 176.397 176.870 -0.196 0.000 1.106 111 L CA 0.674 55.312 54.840 -0.338 0.000 0.856 111 L CB -0.210 41.595 42.059 -0.423 0.000 1.186 111 L HN -0.077 nan 8.230 nan 0.000 0.453 112 K N 4.650 124.961 120.400 -0.149 0.000 2.579 112 K HA 0.278 4.894 4.320 0.494 0.000 0.250 112 K C -0.759 175.792 176.600 -0.081 0.000 0.952 112 K CA -0.490 55.737 56.287 -0.101 0.000 0.857 112 K CB 1.347 33.797 32.500 -0.083 0.000 1.123 112 K HN 0.557 nan 8.250 nan 0.000 0.433 113 D N 1.772 122.130 120.400 -0.069 0.000 2.775 113 D HA -0.152 4.784 4.640 0.494 0.000 0.235 113 D C 0.696 176.966 176.300 -0.051 0.000 1.120 113 D CA 1.633 55.602 54.000 -0.052 0.000 0.708 113 D CB -0.741 40.034 40.800 -0.041 0.000 1.084 113 D HN 1.028 nan 8.370 nan 0.000 0.434 114 G N -0.265 108.498 108.800 -0.062 0.000 2.187 114 G HA2 -0.374 3.882 3.960 0.494 0.000 0.261 114 G HA3 -0.374 3.882 3.960 0.494 0.000 0.261 114 G C 0.352 175.218 174.900 -0.057 0.000 1.000 114 G CA 1.276 46.342 45.100 -0.055 0.000 0.718 114 G HN 0.496 nan 8.290 nan 0.000 0.519 115 K N -1.094 119.262 120.400 -0.074 0.000 2.328 115 K HA 0.855 5.471 4.320 0.494 0.000 0.246 115 K C -0.242 176.297 176.600 -0.101 0.000 0.955 115 K CA -0.775 55.472 56.287 -0.067 0.000 0.817 115 K CB 1.680 34.151 32.500 -0.048 0.000 1.208 115 K HN 0.115 nan 8.250 nan 0.000 0.432 116 L N 3.128 124.302 121.223 -0.081 0.000 2.401 116 L HA 0.556 5.192 4.340 0.494 0.000 0.266 116 L C -2.369 174.470 176.870 -0.051 0.000 0.991 116 L CA -2.150 52.632 54.840 -0.097 0.000 0.818 116 L CB 2.260 44.265 42.059 -0.089 0.000 1.321 116 L HN 0.511 nan 8.230 nan 0.000 0.413 117 P HA 0.075 nan 4.420 nan 0.000 0.279 117 P C -0.884 176.410 177.300 -0.010 0.000 1.239 117 P CA -0.376 62.708 63.100 -0.027 0.000 0.789 117 P CB 0.932 32.614 31.700 -0.030 0.000 0.933 118 E N 1.538 121.738 120.200 0.000 0.000 2.351 118 E HA 0.271 4.918 4.350 0.494 0.000 0.266 118 E C -0.283 176.321 176.600 0.007 0.000 1.031 118 E CA -0.247 56.158 56.400 0.010 0.000 0.911 118 E CB 0.180 29.888 29.700 0.014 0.000 0.986 118 E HN 0.324 nan 8.360 nan 0.000 0.446 119 V N 0.888 120.806 119.914 0.006 0.000 3.120 119 V HA 0.545 4.961 4.120 0.494 0.000 0.303 119 V C -1.056 175.027 176.094 -0.018 0.000 1.238 119 V CA -1.025 61.275 62.300 -0.000 0.000 1.008 119 V CB 1.982 33.803 31.823 -0.002 0.000 1.064 119 V HN 0.705 nan 8.190 nan 0.000 0.434 120 E N 1.909 122.103 120.200 -0.010 0.000 2.224 120 E HA 0.741 5.388 4.350 0.494 0.000 0.265 120 E C -1.761 174.830 176.600 -0.014 0.000 0.878 120 E CA -0.787 55.596 56.400 -0.028 0.000 0.759 120 E CB 2.167 31.906 29.700 0.064 0.000 1.164 120 E HN 0.798 nan 8.360 nan 0.000 0.414 121 I N 3.645 124.174 120.570 -0.069 0.000 2.533 121 I HA 0.350 4.816 4.170 0.494 0.000 0.290 121 I C -0.723 175.392 176.117 -0.003 0.000 1.056 121 I CA -0.769 60.521 61.300 -0.017 0.000 1.057 121 I CB 2.063 40.074 38.000 0.019 0.000 1.240 121 I HN 0.251 nan 8.210 nan 0.000 0.423 122 K N 4.186 124.600 120.400 0.023 0.000 2.358 122 K HA 0.564 5.180 4.320 0.494 0.000 0.260 122 K C -1.420 175.117 176.600 -0.105 0.000 0.956 122 K CA -0.699 55.606 56.287 0.030 0.000 0.834 122 K CB 1.962 34.556 32.500 0.157 0.000 1.102 122 K HN 0.384 nan 8.250 nan 0.000 0.431 123 D N 1.612 121.836 120.400 -0.293 0.000 2.570 123 D HA 0.546 5.482 4.640 0.494 0.000 0.244 123 D C -1.720 174.529 176.300 -0.086 0.000 1.178 123 D CA -0.233 53.553 54.000 -0.356 0.000 0.881 123 D CB 1.285 41.752 40.800 -0.555 0.000 1.453 123 D HN 0.412 nan 8.370 nan 0.000 0.447 124 Y N -2.305 117.940 120.300 -0.092 0.000 2.841 124 Y HA 0.435 5.281 4.550 0.493 0.000 0.373 124 Y C -3.165 172.073 175.900 -1.104 0.000 1.170 124 Y CA -1.644 56.252 58.100 -0.339 0.000 1.196 124 Y CB 0.491 38.753 38.460 -0.331 0.000 1.433 124 Y HN 0.085 nan 8.280 nan 0.000 0.479 125 P HA 0.303 nan 4.420 nan 0.000 0.288 125 P C -0.337 176.545 177.300 -0.696 0.000 1.267 125 P CA -0.367 61.796 63.100 -1.561 0.000 0.815 125 P CB 2.164 33.211 31.700 -1.089 0.000 0.989 126 S N 0.635 115.954 115.700 -0.636 0.000 2.527 126 S HA 0.105 4.871 4.470 0.494 0.000 0.222 126 S C 0.807 175.243 174.600 -0.273 0.000 0.985 126 S CA 0.204 58.189 58.200 -0.359 0.000 0.921 126 S CB 0.039 63.032 63.200 -0.345 0.000 0.772 126 S HN 0.331 nan 8.310 nan 0.000 0.529 127 V N 1.449 121.185 119.914 -0.297 0.000 2.577 127 V HA 0.367 4.784 4.120 0.494 0.000 0.303 127 V C 0.881 176.855 176.094 -0.199 0.000 1.042 127 V CA -0.879 61.297 62.300 -0.206 0.000 0.872 127 V CB 2.010 33.725 31.823 -0.179 0.000 0.998 127 V HN 0.105 nan 8.190 nan 0.000 0.423 128 R N 2.908 123.270 120.500 -0.229 0.000 2.075 128 R HA -0.014 4.622 4.340 0.494 0.000 0.232 128 R C -0.420 175.617 176.300 -0.439 0.000 1.126 128 R CA 1.394 57.263 56.100 -0.385 0.000 0.963 128 R CB 0.142 30.096 30.300 -0.576 0.000 0.858 128 R HN 0.615 nan 8.270 nan 0.000 0.435 129 Y N 0.114 120.400 120.300 -0.023 0.000 2.341 129 Y HA 0.466 5.316 4.550 0.499 0.000 0.338 129 Y C -0.641 175.225 175.900 -0.056 0.000 0.965 129 Y CA -0.948 57.140 58.100 -0.020 0.000 1.108 129 Y CB 1.746 40.167 38.460 -0.065 0.000 1.180 129 Y HN -0.106 nan 8.280 nan 0.000 0.458 130 R N 1.800 122.420 120.500 0.200 0.000 2.533 130 R HA 0.791 5.428 4.340 0.494 0.000 0.288 130 R C -0.167 176.211 176.300 0.129 0.000 1.039 130 R CA -0.757 55.432 56.100 0.148 0.000 0.909 130 R CB 2.278 32.656 30.300 0.130 0.000 1.195 130 R HN 0.898 nan 8.270 nan 0.000 0.438 131 G N 0.750 109.603 108.800 0.090 0.000 2.566 131 G HA2 0.282 4.538 3.960 0.494 0.000 0.138 131 G HA3 0.282 4.538 3.960 0.494 0.000 0.138 131 G C -1.777 173.084 174.900 -0.065 0.000 1.133 131 G CA -0.420 44.655 45.100 -0.042 0.000 1.037 131 G HN 0.325 nan 8.290 nan 0.000 0.491 132 V N 0.158 119.986 119.914 -0.144 0.000 2.686 132 V HA 0.663 5.079 4.120 0.494 0.000 0.306 132 V C -0.644 175.351 176.094 -0.165 0.000 1.065 132 V CA -0.713 61.528 62.300 -0.098 0.000 0.894 132 V CB 1.617 33.428 31.823 -0.020 0.000 1.004 132 V HN 1.110 nan 8.190 nan 0.000 0.424 133 V N 4.577 124.288 119.914 -0.337 0.000 2.311 133 V HA 0.432 4.849 4.120 0.494 0.000 0.275 133 V C 0.390 176.122 176.094 -0.603 0.000 1.022 133 V CA -0.224 61.735 62.300 -0.568 0.000 0.830 133 V CB 1.307 32.582 31.823 -0.914 0.000 1.012 133 V HN 1.025 nan 8.190 nan 0.000 0.452 134 E N 5.137 124.940 120.200 -0.661 0.000 1.795 134 E HA 0.308 4.955 4.350 0.494 0.000 0.261 134 E C 0.732 176.715 176.600 -1.028 0.000 1.238 134 E CA 0.409 56.266 56.400 -0.904 0.000 1.001 134 E CB 0.107 29.233 29.700 -0.957 0.000 1.065 134 E HN 0.910 nan 8.360 nan 0.000 0.418 135 G N 4.580 112.864 108.800 -0.860 0.000 4.238 135 G HA2 0.119 4.375 3.960 0.494 0.000 0.292 135 G HA3 0.119 4.375 3.960 0.494 0.000 0.292 135 G C -0.228 174.371 174.900 -0.501 0.000 1.036 135 G CA -0.475 44.228 45.100 -0.661 0.000 0.812 135 G HN 0.431 nan 8.290 nan 0.000 0.489 136 F N -0.624 119.095 119.950 -0.385 0.000 2.378 136 F HA 0.754 5.587 4.527 0.510 0.000 0.319 136 F C -0.095 175.500 175.800 -0.342 0.000 1.155 136 F CA -2.486 55.346 58.000 -0.280 0.000 1.157 136 F CB 0.281 39.141 39.000 -0.234 0.000 1.252 136 F HN -0.000 nan 8.300 nan 0.000 0.550 137 Y N 0.712 121.090 120.300 0.130 0.000 2.309 137 Y HA 0.532 5.380 4.550 0.498 0.000 0.327 137 Y C 0.905 176.938 175.900 0.222 0.000 1.172 137 Y CA 0.482 58.633 58.100 0.084 0.000 1.280 137 Y CB 0.832 39.277 38.460 -0.025 0.000 1.234 137 Y HN 1.090 nan 8.280 nan 0.000 0.512 138 G N 0.246 109.247 108.800 0.334 0.000 2.371 138 G HA2 -0.084 4.173 3.960 0.494 0.000 0.663 138 G HA3 -0.084 4.173 3.960 0.494 0.000 0.663 138 G C -1.045 174.019 174.900 0.273 0.000 1.311 138 G CA -1.162 44.102 45.100 0.274 0.000 0.985 138 G HN 0.523 nan 8.290 nan 0.000 0.566 139 T N 3.495 118.178 114.554 0.215 0.000 2.738 139 T HA 0.394 5.040 4.350 0.494 0.000 0.277 139 T C -1.806 173.089 174.700 0.324 0.000 0.981 139 T CA 0.411 62.642 62.100 0.217 0.000 1.211 139 T CB 0.482 69.452 68.868 0.170 0.000 0.932 139 T HN 0.497 nan 8.240 nan 0.000 0.522 140 P HA 0.059 nan 4.420 nan 0.000 0.271 140 P C -0.041 177.492 177.300 0.387 0.000 1.233 140 P CA -0.701 62.515 63.100 0.194 0.000 0.789 140 P CB 0.412 32.135 31.700 0.038 0.000 0.951 141 W N 1.153 122.601 121.300 0.246 0.000 2.257 141 W HA 0.062 5.025 4.660 0.504 0.000 0.337 141 W C 1.008 177.619 176.519 0.154 0.000 1.321 141 W CA -0.212 57.247 57.345 0.190 0.000 1.267 141 W CB -0.962 28.610 29.460 0.187 0.000 1.187 141 W HN 0.337 nan 8.180 nan 0.000 0.565 142 S N 1.690 117.581 115.700 0.318 0.000 2.573 142 S HA -0.122 4.644 4.470 0.494 0.000 0.277 142 S C 1.200 175.935 174.600 0.226 0.000 1.346 142 S CA 0.281 58.618 58.200 0.228 0.000 1.034 142 S CB 0.714 63.996 63.200 0.137 0.000 0.879 142 S HN 0.577 nan 8.310 nan 0.000 0.528 143 H N 1.669 120.823 119.070 0.139 0.000 2.321 143 H HA -0.141 4.710 4.556 0.492 0.000 0.295 143 H C 2.102 177.458 175.328 0.047 0.000 1.102 143 H CA 2.735 58.847 56.048 0.106 0.000 1.266 143 H CB -0.104 29.704 29.762 0.077 0.000 1.363 143 H HN 0.655 nan 8.280 nan 0.000 0.492 144 Q N -0.184 119.619 119.800 0.005 0.000 2.079 144 Q HA -0.072 4.564 4.340 0.494 0.000 0.200 144 Q C 2.626 178.529 176.000 -0.161 0.000 0.974 144 Q CA 1.144 56.889 55.803 -0.096 0.000 0.840 144 Q CB -0.616 28.104 28.738 -0.030 0.000 0.898 144 Q HN 0.631 nan 8.270 nan 0.000 0.430 145 A N 1.311 124.047 122.820 -0.140 0.000 1.908 145 A HA -0.233 4.383 4.320 0.494 0.000 0.218 145 A C 2.193 179.588 177.584 -0.317 0.000 1.181 145 A CA 1.639 53.513 52.037 -0.273 0.000 0.627 145 A CB -0.468 18.325 19.000 -0.345 0.000 0.818 145 A HN 0.264 nan 8.150 nan 0.000 0.445 146 R N -0.626 119.770 120.500 -0.174 0.000 2.075 146 R HA -0.009 4.627 4.340 0.494 0.000 0.232 146 R C 2.103 178.223 176.300 -0.300 0.000 1.126 146 R CA 1.396 57.398 56.100 -0.164 0.000 0.963 146 R CB -0.508 29.814 30.300 0.036 0.000 0.858 146 R HN 0.532 nan 8.270 nan 0.000 0.435 147 L N -0.049 120.983 121.223 -0.318 0.000 2.042 147 L HA -0.235 4.402 4.340 0.494 0.000 0.210 147 L C 2.652 179.367 176.870 -0.259 0.000 1.076 147 L CA 1.443 56.112 54.840 -0.285 0.000 0.749 147 L CB -0.614 41.281 42.059 -0.274 0.000 0.893 147 L HN 0.252 nan 8.230 nan 0.000 0.432 148 S N -0.886 114.654 115.700 -0.267 0.000 2.368 148 S HA -0.199 4.567 4.470 0.494 0.000 0.225 148 S C 2.038 176.447 174.600 -0.319 0.000 1.030 148 S CA 1.103 59.151 58.200 -0.254 0.000 0.999 148 S CB -0.067 62.974 63.200 -0.265 0.000 0.844 148 S HN 0.386 nan 8.310 nan 0.000 0.459 149 Q N 0.639 120.160 119.800 -0.464 0.000 2.084 149 Q HA -0.051 4.586 4.340 0.494 0.000 0.202 149 Q C 2.340 177.706 176.000 -1.057 0.000 0.978 149 Q CA 1.326 56.705 55.803 -0.706 0.000 0.844 149 Q CB -0.561 27.761 28.738 -0.693 0.000 0.898 149 Q HN 0.571 nan 8.270 nan 0.000 0.426 150 L N 0.380 121.172 121.223 -0.719 0.000 2.056 150 L HA -0.193 4.443 4.340 0.494 0.000 0.207 150 L C 2.398 179.152 176.870 -0.193 0.000 1.078 150 L CA 1.204 55.760 54.840 -0.473 0.000 0.749 150 L CB -0.324 41.590 42.059 -0.241 0.000 0.901 150 L HN 0.130 nan 8.230 nan 0.000 0.433 151 K N -0.591 119.727 120.400 -0.136 0.000 2.057 151 K HA -0.195 4.421 4.320 0.494 0.000 0.207 151 K C 2.026 178.670 176.600 0.074 0.000 1.049 151 K CA 1.440 57.721 56.287 -0.011 0.000 0.931 151 K CB -0.282 32.209 32.500 -0.015 0.000 0.714 151 K HN 0.049 nan 8.250 nan 0.000 0.440 152 F N 0.541 120.412 119.950 -0.132 0.000 2.171 152 F HA -0.226 4.596 4.527 0.493 0.000 0.300 152 F C 1.712 177.600 175.800 0.147 0.000 1.090 152 F CA 1.371 59.363 58.000 -0.014 0.000 1.293 152 F CB -0.114 38.856 39.000 -0.050 0.000 1.013 152 F HN 0.006 nan 8.300 nan 0.000 0.486 153 Y N 0.123 120.513 120.300 0.150 0.000 2.200 153 Y HA 0.016 4.861 4.550 0.491 0.000 0.290 153 Y C 2.772 178.716 175.900 0.074 0.000 1.137 153 Y CA 0.553 58.705 58.100 0.087 0.000 1.163 153 Y CB -1.685 36.870 38.460 0.158 0.000 0.988 153 Y HN 0.073 nan 8.280 nan 0.000 0.518 154 G N 0.058 109.029 108.800 0.286 0.000 2.446 154 G HA2 -0.277 3.980 3.960 0.494 0.000 0.217 154 G HA3 -0.277 3.980 3.960 0.494 0.000 0.217 154 G C 1.780 176.808 174.900 0.214 0.000 1.168 154 G CA 0.956 46.267 45.100 0.351 0.000 0.771 154 G HN 0.320 nan 8.290 nan 0.000 0.551 155 K N 0.070 120.500 120.400 0.051 0.000 2.211 155 K HA -0.068 4.548 4.320 0.494 0.000 0.204 155 K C 1.299 177.761 176.600 -0.230 0.000 1.047 155 K CA 1.243 57.473 56.287 -0.096 0.000 0.935 155 K CB -0.058 32.378 32.500 -0.106 0.000 0.728 155 K HN 0.298 nan 8.250 nan 0.000 0.452 156 N N 0.034 118.572 118.700 -0.269 0.000 2.238 156 N HA 0.078 5.115 4.740 0.494 0.000 0.222 156 N C -1.044 174.244 175.510 -0.370 0.000 1.133 156 N CA -0.061 52.748 53.050 -0.403 0.000 0.854 156 N CB 0.712 38.891 38.487 -0.513 0.000 1.041 156 N HN -0.024 nan 8.380 nan 0.000 0.510 157 K N -0.072 120.137 120.400 -0.318 0.000 3.117 157 K HA -0.218 4.398 4.320 0.494 0.000 0.269 157 K C -0.667 175.875 176.600 -0.096 0.000 1.098 157 K CA 0.599 56.548 56.287 -0.562 0.000 0.785 157 K CB -1.651 30.104 32.500 -1.242 0.000 1.242 157 K HN 0.388 nan 8.250 nan 0.000 0.491 158 M N 1.731 121.377 119.600 0.076 0.000 2.144 158 M HA 0.073 4.850 4.480 0.494 0.000 0.356 158 M C 1.143 177.615 176.300 0.287 0.000 1.217 158 M CA -0.179 55.211 55.300 0.149 0.000 1.087 158 M CB 0.663 33.288 32.600 0.043 0.000 1.609 158 M HN 0.193 nan 8.290 nan 0.000 0.467 159 N N 0.561 119.449 118.700 0.314 0.000 2.230 159 N HA 0.082 5.119 4.740 0.494 0.000 0.202 159 N C -0.789 174.902 175.510 0.301 0.000 1.119 159 N CA -0.198 53.070 53.050 0.363 0.000 0.851 159 N CB 0.587 39.328 38.487 0.424 0.000 0.990 159 N HN 0.353 nan 8.380 nan 0.000 0.497 160 T N 0.565 115.262 114.554 0.239 0.000 2.928 160 T HA 0.235 4.882 4.350 0.494 0.000 0.296 160 T C -2.169 172.630 174.700 0.165 0.000 1.000 160 T CA -0.475 61.741 62.100 0.193 0.000 0.989 160 T CB 1.335 70.317 68.868 0.189 0.000 1.005 160 T HN 0.168 nan 8.240 nan 0.000 0.442 161 Y N 4.297 124.612 120.300 0.025 0.000 2.332 161 Y HA 0.625 5.475 4.550 0.500 0.000 0.326 161 Y C -1.289 174.484 175.900 -0.211 0.000 0.978 161 Y CA -1.580 56.505 58.100 -0.026 0.000 1.205 161 Y CB 0.591 39.134 38.460 0.137 0.000 1.131 161 Y HN 0.595 nan 8.280 nan 0.000 0.462 162 I N 7.971 128.165 120.570 -0.627 0.000 2.306 162 I HA 0.132 4.598 4.170 0.494 0.000 0.288 162 I C -0.889 174.600 176.117 -1.047 0.000 1.036 162 I CA -0.864 60.017 61.300 -0.698 0.000 1.221 162 I CB 0.576 38.339 38.000 -0.395 0.000 1.385 162 I HN 0.639 nan 8.210 nan 0.000 0.472 163 Y N 6.199 125.703 120.300 -1.328 0.000 2.531 163 Y HA 0.470 5.301 4.550 0.468 0.000 0.347 163 Y C 0.730 176.069 175.900 -0.934 0.000 1.024 163 Y CA -0.127 57.317 58.100 -1.093 0.000 1.306 163 Y CB 0.770 38.753 38.460 -0.795 0.000 1.149 163 Y HN 0.603 nan 8.280 nan 0.000 0.527 164 G N 7.205 115.289 108.800 -1.193 0.000 4.775 164 G HA2 0.154 4.410 3.960 0.494 0.000 0.222 164 G HA3 0.154 4.410 3.960 0.494 0.000 0.222 164 G C -3.366 170.750 174.900 -1.307 0.000 0.974 164 G CA -0.880 43.352 45.100 -1.446 0.000 0.614 164 G HN 0.426 nan 8.290 nan 0.000 0.427 165 P HA 0.160 nan 4.420 nan 0.000 0.271 165 P C 0.987 177.907 177.300 -0.633 0.000 1.233 165 P CA -0.237 62.255 63.100 -1.013 0.000 0.764 165 P CB 1.443 32.628 31.700 -0.858 0.000 0.825 166 K N 1.948 121.985 120.400 -0.605 0.000 2.218 166 K HA -0.150 4.467 4.320 0.494 0.000 0.205 166 K C 0.488 176.989 176.600 -0.165 0.000 1.046 166 K CA 1.534 57.541 56.287 -0.467 0.000 0.933 166 K CB -0.315 31.583 32.500 -1.003 0.000 0.728 166 K HN 0.507 nan 8.250 nan 0.000 0.454 167 D N 0.803 121.131 120.400 -0.120 0.000 2.363 167 D HA -0.038 4.898 4.640 0.494 0.000 0.214 167 D C -0.146 176.192 176.300 0.063 0.000 1.093 167 D CA 0.043 54.060 54.000 0.028 0.000 0.837 167 D CB 0.074 40.927 40.800 0.089 0.000 0.948 167 D HN 0.131 nan 8.370 nan 0.000 0.507 168 D N 1.507 121.944 120.400 0.063 0.000 2.325 168 D HA 0.054 4.990 4.640 0.494 0.000 0.251 168 D C -1.531 174.896 176.300 0.212 0.000 1.196 168 D CA -1.900 52.221 54.000 0.202 0.000 0.866 168 D CB 1.794 42.772 40.800 0.297 0.000 1.101 168 D HN -0.094 nan 8.370 nan 0.000 0.476 169 P HA -0.115 nan 4.420 nan 0.000 0.223 169 P C 0.556 177.739 177.300 -0.195 0.000 1.151 169 P CA 0.886 63.927 63.100 -0.098 0.000 0.787 169 P CB -0.054 31.487 31.700 -0.264 0.000 0.788 170 Y N -1.863 118.491 120.300 0.089 0.000 2.490 170 Y HA 0.008 4.862 4.550 0.507 0.000 0.281 170 Y C 2.552 178.616 175.900 0.274 0.000 1.174 170 Y CA 0.582 58.638 58.100 -0.073 0.000 1.295 170 Y CB -0.847 37.123 38.460 -0.816 0.000 1.062 170 Y HN 0.155 nan 8.280 nan 0.000 0.522 171 H N -1.856 117.432 119.070 0.364 0.000 2.516 171 H HA 0.234 5.148 4.556 0.598 0.000 0.284 171 H C 1.255 176.694 175.328 0.185 0.000 0.999 171 H CA 0.715 56.931 56.048 0.280 0.000 1.303 171 H CB 0.431 30.277 29.762 0.140 0.000 1.452 171 H HN 0.052 nan 8.280 nan 0.000 0.530 172 S N -0.955 114.784 115.700 0.064 0.000 2.795 172 S HA 0.764 5.530 4.470 0.494 0.000 0.308 172 S C -0.690 174.060 174.600 0.249 0.000 1.098 172 S CA -0.404 57.842 58.200 0.077 0.000 0.934 172 S CB 0.679 63.964 63.200 0.143 0.000 1.300 172 S HN 0.532 nan 8.310 nan 0.000 0.566 173 A N 1.594 124.574 122.820 0.266 0.000 2.304 173 A HA 0.629 5.245 4.320 0.494 0.000 0.301 173 A C -1.788 175.855 177.584 0.098 0.000 1.132 173 A CA -1.276 50.935 52.037 0.289 0.000 0.819 173 A CB 0.079 19.233 19.000 0.256 0.000 1.094 173 A HN 0.717 nan 8.150 nan 0.000 0.492 174 P HA 0.031 nan 4.420 nan 0.000 0.245 174 P C 0.202 177.328 177.300 -0.290 0.000 1.199 174 P CA 0.370 63.395 63.100 -0.125 0.000 0.807 174 P CB 0.262 31.874 31.700 -0.148 0.000 1.002 175 N N 0.569 119.151 118.700 -0.197 0.000 2.515 175 N HA -0.057 4.979 4.740 0.494 0.000 0.191 175 N C 1.564 177.010 175.510 -0.107 0.000 1.182 175 N CA 0.234 53.132 53.050 -0.253 0.000 0.879 175 N CB -0.761 37.474 38.487 -0.420 0.000 0.984 175 N HN 0.502 nan 8.380 nan 0.000 0.453 176 W N 1.216 122.492 121.300 -0.039 0.000 2.331 176 W HA -0.172 4.446 4.660 -0.070 0.000 0.291 176 W C 0.983 177.537 176.519 0.058 0.000 1.214 176 W CA 0.280 57.653 57.345 0.047 0.000 1.228 176 W CB -0.881 28.572 29.460 -0.010 0.000 1.135 176 W HN 0.046 nan 8.180 nan 0.000 0.537 177 R N 0.228 120.357 120.500 -0.619 0.000 2.193 177 R HA -0.051 4.586 4.340 0.494 0.000 0.229 177 R C 0.416 176.608 176.300 -0.180 0.000 1.110 177 R CA 0.534 56.261 56.100 -0.620 0.000 0.988 177 R CB -0.455 29.325 30.300 -0.867 0.000 0.871 177 R HN 0.007 nan 8.270 nan 0.000 0.458 178 L N 1.230 122.415 121.223 -0.064 0.000 2.307 178 L HA 0.327 4.963 4.340 0.494 0.000 0.282 178 L C -2.182 174.738 176.870 0.082 0.000 1.051 178 L CA -2.776 52.088 54.840 0.040 0.000 0.804 178 L CB 1.181 43.319 42.059 0.132 0.000 1.197 178 L HN -0.199 nan 8.230 nan 0.000 0.431 179 P HA 0.043 nan 4.420 nan 0.000 0.269 179 P C -0.950 176.218 177.300 -0.220 0.000 1.215 179 P CA -0.121 62.952 63.100 -0.045 0.000 0.780 179 P CB 0.161 31.846 31.700 -0.024 0.000 0.898 180 Y N 1.592 121.723 120.300 -0.282 0.000 2.683 180 Y HA 0.057 4.929 4.550 0.538 0.000 0.340 180 Y C -1.285 174.347 175.900 -0.446 0.000 1.245 180 Y CA -0.730 57.021 58.100 -0.582 0.000 1.485 180 Y CB -1.127 37.116 38.460 -0.361 0.000 1.328 180 Y HN 0.387 nan 8.280 nan 0.000 0.603 181 P HA -0.028 nan 4.420 nan 0.000 0.271 181 P C 0.177 177.430 177.300 -0.078 0.000 1.233 181 P CA -0.058 62.951 63.100 -0.151 0.000 0.789 181 P CB 0.721 32.358 31.700 -0.105 0.000 0.951 182 D N 0.517 120.885 120.400 -0.053 0.000 2.133 182 D HA -0.198 4.739 4.640 0.494 0.000 0.195 182 D C 1.642 177.907 176.300 -0.059 0.000 0.997 182 D CA 1.480 55.450 54.000 -0.050 0.000 0.840 182 D CB -0.132 40.645 40.800 -0.037 0.000 0.947 182 D HN 0.465 nan 8.370 nan 0.000 0.452 183 K N 0.841 121.213 120.400 -0.046 0.000 2.025 183 K HA -0.178 4.438 4.320 0.494 0.000 0.207 183 K C 1.868 178.422 176.600 -0.077 0.000 1.049 183 K CA 1.231 57.486 56.287 -0.053 0.000 0.933 183 K CB 0.071 32.555 32.500 -0.025 0.000 0.714 183 K HN -0.111 nan 8.250 nan 0.000 0.438 184 E N 0.476 120.648 120.200 -0.047 0.000 2.077 184 E HA -0.125 4.521 4.350 0.494 0.000 0.193 184 E C 1.821 178.317 176.600 -0.173 0.000 0.989 184 E CA 1.412 57.780 56.400 -0.054 0.000 0.800 184 E CB -0.215 29.536 29.700 0.085 0.000 0.746 184 E HN 0.465 nan 8.360 nan 0.000 0.452 185 A N 0.856 123.587 122.820 -0.148 0.000 1.902 185 A HA -0.114 4.502 4.320 0.494 0.000 0.217 185 A C 2.355 179.822 177.584 -0.195 0.000 1.181 185 A CA 1.867 53.785 52.037 -0.198 0.000 0.623 185 A CB -0.834 18.098 19.000 -0.114 0.000 0.818 185 A HN 0.296 nan 8.150 nan 0.000 0.443 186 A N -0.964 121.766 122.820 -0.149 0.000 1.969 186 A HA -0.166 4.450 4.320 0.494 0.000 0.218 186 A C 2.103 179.590 177.584 -0.162 0.000 1.169 186 A CA 1.556 53.510 52.037 -0.137 0.000 0.635 186 A CB -0.451 18.484 19.000 -0.109 0.000 0.810 186 A HN 0.665 nan 8.150 nan 0.000 0.445 187 Q N -0.591 119.086 119.800 -0.205 0.000 2.123 187 Q HA 0.006 4.642 4.340 0.494 0.000 0.199 187 Q C 2.021 177.980 176.000 -0.068 0.000 0.966 187 Q CA 1.107 56.752 55.803 -0.263 0.000 0.845 187 Q CB -0.226 28.250 28.738 -0.436 0.000 0.907 187 Q HN 0.667 nan 8.270 nan 0.000 0.439 188 L N 0.406 121.517 121.223 -0.187 0.000 2.056 188 L HA -0.225 4.411 4.340 0.494 0.000 0.207 188 L C 2.603 179.275 176.870 -0.329 0.000 1.078 188 L CA 1.167 55.832 54.840 -0.292 0.000 0.749 188 L CB -0.358 41.387 42.059 -0.523 0.000 0.901 188 L HN 0.325 nan 8.230 nan 0.000 0.433 189 Q N 0.096 119.736 119.800 -0.266 0.000 2.096 189 Q HA -0.293 4.344 4.340 0.494 0.000 0.204 189 Q C 2.143 178.043 176.000 -0.167 0.000 0.982 189 Q CA 1.952 57.617 55.803 -0.230 0.000 0.850 189 Q CB 0.016 28.651 28.738 -0.171 0.000 0.901 189 Q HN 0.448 nan 8.270 nan 0.000 0.422 190 E N -0.104 120.042 120.200 -0.090 0.000 2.077 190 E HA -0.189 4.457 4.350 0.494 0.000 0.193 190 E C 2.030 178.615 176.600 -0.024 0.000 0.989 190 E CA 0.827 57.215 56.400 -0.020 0.000 0.800 190 E CB -0.046 29.703 29.700 0.081 0.000 0.746 190 E HN 0.403 nan 8.360 nan 0.000 0.452 191 L N 0.285 121.501 121.223 -0.011 0.000 2.046 191 L HA -0.193 4.443 4.340 0.494 0.000 0.208 191 L C 2.539 179.365 176.870 -0.072 0.000 1.077 191 L CA 0.835 55.675 54.840 0.001 0.000 0.747 191 L CB -0.438 41.716 42.059 0.159 0.000 0.896 191 L HN 0.122 nan 8.230 nan 0.000 0.432 192 V N 0.150 119.888 119.914 -0.293 0.000 2.343 192 V HA -0.296 4.120 4.120 0.494 0.000 0.247 192 V C 2.778 178.796 176.094 -0.127 0.000 1.051 192 V CA 1.827 63.957 62.300 -0.284 0.000 1.036 192 V CB -0.935 30.627 31.823 -0.434 0.000 0.654 192 V HN 0.486 nan 8.190 nan 0.000 0.451 193 A N -0.308 122.438 122.820 -0.122 0.000 1.902 193 A HA -0.160 4.457 4.320 0.494 0.000 0.217 193 A C 2.387 179.921 177.584 -0.084 0.000 1.181 193 A CA 2.114 54.098 52.037 -0.089 0.000 0.623 193 A CB -0.659 18.296 19.000 -0.076 0.000 0.818 193 A HN 0.342 nan 8.150 nan 0.000 0.443 194 V N -0.344 119.528 119.914 -0.071 0.000 2.427 194 V HA -0.183 4.233 4.120 0.494 0.000 0.248 194 V C 3.019 179.067 176.094 -0.076 0.000 1.051 194 V CA 1.749 64.002 62.300 -0.077 0.000 1.048 194 V CB -1.053 30.726 31.823 -0.073 0.000 0.666 194 V HN 0.614 nan 8.190 nan 0.000 0.456 195 A N 0.345 123.155 122.820 -0.015 0.000 1.902 195 A HA -0.215 4.402 4.320 0.494 0.000 0.217 195 A C 2.070 179.637 177.584 -0.029 0.000 1.181 195 A CA 1.902 53.965 52.037 0.044 0.000 0.623 195 A CB -0.658 18.466 19.000 0.207 0.000 0.818 195 A HN 0.569 nan 8.150 nan 0.000 0.443 196 N N 0.244 118.908 118.700 -0.061 0.000 2.061 196 N HA -0.173 4.864 4.740 0.494 0.000 0.193 196 N C 1.605 176.907 175.510 -0.347 0.000 1.030 196 N CA 1.785 54.773 53.050 -0.104 0.000 0.856 196 N CB -0.466 37.986 38.487 -0.058 0.000 1.023 196 N HN 0.682 nan 8.380 nan 0.000 0.424 197 E N 0.143 120.073 120.200 -0.451 0.000 2.204 197 E HA 0.009 4.656 4.350 0.494 0.000 0.194 197 E C 0.605 176.762 176.600 -0.739 0.000 0.989 197 E CA 0.536 56.443 56.400 -0.821 0.000 0.824 197 E CB -0.038 29.435 29.700 -0.378 0.000 0.756 197 E HN 0.415 nan 8.360 nan 0.000 0.477 198 N N 0.828 119.291 118.700 -0.395 0.000 2.268 198 N HA -0.020 5.016 4.740 0.494 0.000 0.204 198 N C -0.566 174.781 175.510 -0.272 0.000 1.124 198 N CA 0.182 53.085 53.050 -0.246 0.000 0.838 198 N CB 0.761 39.249 38.487 0.002 0.000 0.994 198 N HN 0.018 nan 8.380 nan 0.000 0.489 199 E N -0.056 119.917 120.200 -0.379 0.000 2.637 199 E HA -0.140 4.507 4.350 0.494 0.000 0.265 199 E C -0.793 175.832 176.600 0.042 0.000 1.073 199 E CA 0.374 56.646 56.400 -0.214 0.000 0.778 199 E CB -1.731 27.736 29.700 -0.388 0.000 1.362 199 E HN 0.086 nan 8.360 nan 0.000 0.413 200 V N 1.310 121.283 119.914 0.097 0.000 2.435 200 V HA 0.196 4.613 4.120 0.494 0.000 0.290 200 V C 0.405 176.623 176.094 0.206 0.000 1.030 200 V CA -0.717 61.713 62.300 0.217 0.000 0.881 200 V CB 1.832 33.825 31.823 0.283 0.000 0.983 200 V HN -0.033 nan 8.190 nan 0.000 0.445 201 D N 3.776 124.307 120.400 0.219 0.000 2.358 201 D HA 0.146 5.083 4.640 0.494 0.000 0.258 201 D C -0.301 176.143 176.300 0.241 0.000 1.223 201 D CA 0.164 54.282 54.000 0.196 0.000 0.886 201 D CB 0.668 41.563 40.800 0.158 0.000 1.120 201 D HN 0.430 nan 8.370 nan 0.000 0.482 202 F N 3.186 123.198 119.950 0.103 0.000 2.471 202 F HA 0.159 4.977 4.527 0.484 0.000 0.365 202 F C -0.227 175.558 175.800 -0.026 0.000 1.095 202 F CA -0.474 57.603 58.000 0.128 0.000 1.174 202 F CB 0.493 39.553 39.000 0.101 0.000 1.105 202 F HN 0.009 nan 8.300 nan 0.000 0.535 203 V N 7.337 127.149 119.914 -0.171 0.000 2.350 203 V HA 0.028 4.444 4.120 0.494 0.000 0.276 203 V C -0.680 175.239 176.094 -0.292 0.000 1.028 203 V CA -0.767 61.407 62.300 -0.210 0.000 0.860 203 V CB 0.679 32.363 31.823 -0.231 0.000 0.990 203 V HN 0.787 nan 8.190 nan 0.000 0.453 204 W N 5.614 126.718 121.300 -0.327 0.000 2.332 204 W HA 0.650 5.573 4.660 0.438 0.000 0.306 204 W C 0.240 176.640 176.519 -0.197 0.000 1.149 204 W CA -0.326 56.911 57.345 -0.180 0.000 1.271 204 W CB 0.819 30.220 29.460 -0.098 0.000 1.243 204 W HN 0.682 nan 8.180 nan 0.000 0.459 205 A N 7.331 129.597 122.820 -0.923 0.000 2.306 205 A HA 0.757 5.374 4.320 0.494 0.000 0.330 205 A C -1.365 175.541 177.584 -1.130 0.000 1.146 205 A CA -0.785 50.668 52.037 -0.974 0.000 0.827 205 A CB 1.031 19.129 19.000 -1.504 0.000 1.178 205 A HN 0.758 nan 8.150 nan 0.000 0.490 206 I N 0.385 120.524 120.570 -0.718 0.000 2.785 206 I HA 0.405 4.872 4.170 0.494 0.000 0.302 206 I C -0.972 174.742 176.117 -0.670 0.000 1.069 206 I CA -0.549 60.369 61.300 -0.636 0.000 1.045 206 I CB 1.939 39.857 38.000 -0.137 0.000 1.236 206 I HN 0.828 nan 8.210 nan 0.000 0.429 207 H N 7.708 126.208 119.070 -0.950 0.000 2.488 207 H HA 0.405 5.223 4.556 0.436 0.000 0.237 207 H C -2.544 172.396 175.328 -0.648 0.000 1.395 207 H CA -1.566 54.039 56.048 -0.738 0.000 1.491 207 H CB 1.500 30.807 29.762 -0.759 0.000 1.567 207 H HN 0.378 nan 8.280 nan 0.000 0.508 208 P HA 0.171 nan 4.420 nan 0.000 0.282 208 P C 1.432 178.344 177.300 -0.645 0.000 1.327 208 P CA 0.367 62.695 63.100 -1.287 0.000 0.949 208 P CB 0.667 31.099 31.700 -2.114 0.000 1.445 209 G N 1.109 109.598 108.800 -0.519 0.000 2.432 209 G HA2 -0.272 3.984 3.960 0.494 0.000 0.219 209 G HA3 -0.272 3.984 3.960 0.494 0.000 0.219 209 G C 1.646 176.494 174.900 -0.087 0.000 1.135 209 G CA 0.632 45.652 45.100 -0.133 0.000 0.767 209 G HN 0.237 nan 8.290 nan 0.000 0.550 210 Q N 1.367 121.110 119.800 -0.096 0.000 2.181 210 Q HA -0.104 4.533 4.340 0.494 0.000 0.205 210 Q C 1.207 177.215 176.000 0.013 0.000 0.980 210 Q CA 1.928 57.731 55.803 0.001 0.000 0.862 210 Q CB -0.069 28.698 28.738 0.048 0.000 0.905 210 Q HN 0.620 nan 8.270 nan 0.000 0.429 211 D N -2.039 118.384 120.400 0.038 0.000 2.620 211 D HA 0.089 5.025 4.640 0.494 0.000 0.260 211 D C -0.059 176.257 176.300 0.026 0.000 1.367 211 D CA -0.365 53.658 54.000 0.040 0.000 0.805 211 D CB -0.720 40.121 40.800 0.068 0.000 1.096 211 D HN 0.305 nan 8.370 nan 0.000 0.488 212 I N 0.866 121.394 120.570 -0.070 0.000 2.618 212 I HA 0.068 4.535 4.170 0.494 0.000 0.284 212 I C -0.273 175.599 176.117 -0.407 0.000 1.146 212 I CA -0.089 61.094 61.300 -0.195 0.000 1.425 212 I CB 0.533 38.258 38.000 -0.458 0.000 1.383 212 I HN -0.266 nan 8.210 nan 0.000 0.562 213 K N 6.428 126.667 120.400 -0.268 0.000 2.156 213 K HA 0.226 4.842 4.320 0.494 0.000 0.271 213 K C -1.274 175.163 176.600 -0.271 0.000 0.995 213 K CA 0.048 56.186 56.287 -0.248 0.000 0.890 213 K CB 0.756 33.207 32.500 -0.081 0.000 1.073 213 K HN 0.433 nan 8.250 nan 0.000 0.454 214 W N 4.349 125.662 121.300 0.023 0.000 1.518 214 W HA 0.140 5.110 4.660 0.516 0.000 0.426 214 W C 0.114 176.621 176.519 -0.019 0.000 0.675 214 W CA -0.647 56.695 57.345 -0.005 0.000 1.936 214 W CB -0.303 29.147 29.460 -0.016 0.000 1.749 214 W HN 0.534 nan 8.180 nan 0.000 0.247 215 N N -0.587 118.195 118.700 0.136 0.000 2.629 215 N HA 0.264 5.300 4.740 0.494 0.000 0.279 215 N C 0.792 176.318 175.510 0.028 0.000 1.344 215 N CA -1.125 51.967 53.050 0.069 0.000 0.789 215 N CB 0.832 39.343 38.487 0.039 0.000 1.508 215 N HN 0.048 nan 8.380 nan 0.000 0.516 216 K N -0.267 120.133 120.400 -0.000 0.000 2.097 216 K HA -0.158 4.458 4.320 0.494 0.000 0.206 216 K C 1.288 177.879 176.600 -0.014 0.000 1.049 216 K CA 1.387 57.657 56.287 -0.028 0.000 0.933 216 K CB -0.068 32.420 32.500 -0.020 0.000 0.717 216 K HN 0.684 nan 8.250 nan 0.000 0.442 217 E N 0.524 120.721 120.200 -0.004 0.000 2.031 217 E HA -0.233 4.413 4.350 0.494 0.000 0.193 217 E C 1.411 178.015 176.600 0.007 0.000 0.994 217 E CA 1.805 58.201 56.400 -0.007 0.000 0.800 217 E CB -0.057 29.631 29.700 -0.019 0.000 0.752 217 E HN 0.337 nan 8.360 nan 0.000 0.447 218 D N -0.095 120.323 120.400 0.031 0.000 2.144 218 D HA -0.143 4.793 4.640 0.494 0.000 0.200 218 D C 2.006 178.401 176.300 0.157 0.000 0.978 218 D CA 0.701 54.774 54.000 0.121 0.000 0.833 218 D CB -0.260 40.632 40.800 0.153 0.000 0.961 218 D HN 0.144 nan 8.370 nan 0.000 0.470 219 R N 0.727 121.260 120.500 0.056 0.000 2.094 219 R HA -0.169 4.467 4.340 0.494 0.000 0.239 219 R C 1.282 177.586 176.300 0.007 0.000 1.137 219 R CA 1.822 57.916 56.100 -0.009 0.000 0.943 219 R CB -0.059 30.155 30.300 -0.144 0.000 0.850 219 R HN 0.044 nan 8.270 nan 0.000 0.433 220 D N 0.470 120.877 120.400 0.012 0.000 2.144 220 D HA -0.151 4.785 4.640 0.494 0.000 0.199 220 D C 1.877 178.199 176.300 0.038 0.000 0.984 220 D CA 0.743 54.763 54.000 0.032 0.000 0.834 220 D CB -0.166 40.648 40.800 0.024 0.000 0.955 220 D HN 0.150 nan 8.370 nan 0.000 0.465 221 L N 0.601 121.856 121.223 0.054 0.000 2.017 221 L HA -0.071 4.565 4.340 0.494 0.000 0.208 221 L C 2.410 179.376 176.870 0.161 0.000 1.073 221 L CA 1.075 55.950 54.840 0.057 0.000 0.745 221 L CB -1.163 40.870 42.059 -0.043 0.000 0.894 221 L HN 0.103 nan 8.230 nan 0.000 0.432 222 L N -1.493 119.890 121.223 0.267 0.000 1.989 222 L HA -0.258 4.379 4.340 0.494 0.000 0.211 222 L C 2.444 179.193 176.870 -0.203 0.000 1.071 222 L CA 1.175 56.066 54.840 0.085 0.000 0.749 222 L CB -0.271 41.686 42.059 -0.170 0.000 0.890 222 L HN 0.181 nan 8.230 nan 0.000 0.431 223 L N -0.087 121.038 121.223 -0.162 0.000 2.013 223 L HA -0.242 4.394 4.340 0.494 0.000 0.212 223 L C 2.793 179.582 176.870 -0.135 0.000 1.073 223 L CA 2.284 57.003 54.840 -0.201 0.000 0.753 223 L CB -1.663 40.382 42.059 -0.024 0.000 0.890 223 L HN 0.452 nan 8.230 nan 0.000 0.432 224 A N -0.735 122.068 122.820 -0.028 0.000 1.930 224 A HA -0.233 4.384 4.320 0.494 0.000 0.217 224 A C 2.302 179.910 177.584 0.040 0.000 1.175 224 A CA 1.725 53.768 52.037 0.011 0.000 0.627 224 A CB -0.364 18.649 19.000 0.021 0.000 0.815 224 A HN 0.316 nan 8.150 nan 0.000 0.443 225 K N -0.462 119.980 120.400 0.070 0.000 2.009 225 K HA -0.132 4.484 4.320 0.494 0.000 0.210 225 K C 1.503 178.224 176.600 0.201 0.000 1.049 225 K CA 1.664 58.031 56.287 0.134 0.000 0.929 225 K CB -0.720 31.933 32.500 0.255 0.000 0.714 225 K HN 0.292 nan 8.250 nan 0.000 0.440 226 F N 1.446 121.348 119.950 -0.079 0.000 2.120 226 F HA -0.131 4.684 4.527 0.480 0.000 0.300 226 F C 2.370 178.127 175.800 -0.072 0.000 1.095 226 F CA 1.716 59.614 58.000 -0.171 0.000 1.249 226 F CB -1.136 37.347 39.000 -0.860 0.000 0.995 226 F HN 0.292 nan 8.300 nan 0.000 0.480 227 E N 0.582 120.819 120.200 0.062 0.000 2.077 227 E HA -0.181 4.465 4.350 0.494 0.000 0.193 227 E C 2.100 178.844 176.600 0.239 0.000 0.989 227 E CA 1.476 58.008 56.400 0.219 0.000 0.800 227 E CB -0.125 29.654 29.700 0.132 0.000 0.746 227 E HN 0.062 nan 8.360 nan 0.000 0.452 228 K N -0.190 120.293 120.400 0.138 0.000 2.026 228 K HA -0.120 4.497 4.320 0.494 0.000 0.208 228 K C 2.017 178.656 176.600 0.066 0.000 1.048 228 K CA 1.463 57.800 56.287 0.083 0.000 0.929 228 K CB -0.357 32.160 32.500 0.028 0.000 0.713 228 K HN 0.303 nan 8.250 nan 0.000 0.439 229 M N -0.208 119.420 119.600 0.046 0.000 2.149 229 M HA -0.178 4.598 4.480 0.494 0.000 0.261 229 M C 2.168 178.538 176.300 0.116 0.000 1.064 229 M CA 1.357 56.625 55.300 -0.053 0.000 1.102 229 M CB -1.247 31.262 32.600 -0.150 0.000 1.369 229 M HN 0.129 nan 8.290 nan 0.000 0.408 230 Y N 1.585 122.036 120.300 0.252 0.000 2.145 230 Y HA -0.271 4.572 4.550 0.490 0.000 0.286 230 Y C 2.417 178.376 175.900 0.097 0.000 1.145 230 Y CA 1.980 60.243 58.100 0.273 0.000 1.148 230 Y CB -0.266 38.414 38.460 0.367 0.000 0.981 230 Y HN 0.352 nan 8.280 nan 0.000 0.507 231 Q N -0.122 119.818 119.800 0.234 0.000 2.181 231 Q HA -0.195 4.441 4.340 0.494 0.000 0.205 231 Q C 1.941 177.914 176.000 -0.044 0.000 0.980 231 Q CA 1.768 57.628 55.803 0.096 0.000 0.862 231 Q CB -0.277 28.519 28.738 0.097 0.000 0.905 231 Q HN 0.526 nan 8.270 nan 0.000 0.429 232 L N -1.039 120.128 121.223 -0.093 0.000 2.610 232 L HA 0.099 4.736 4.340 0.494 0.000 0.232 232 L C 1.235 177.963 176.870 -0.236 0.000 1.149 232 L CA 0.531 55.265 54.840 -0.178 0.000 0.872 232 L CB 0.011 41.924 42.059 -0.243 0.000 0.992 232 L HN 0.443 nan 8.230 nan 0.000 0.447 233 G N -0.774 107.874 108.800 -0.252 0.000 2.184 233 G HA2 -0.225 4.032 3.960 0.494 0.000 0.206 233 G HA3 -0.225 4.032 3.960 0.494 0.000 0.206 233 G C 0.249 174.966 174.900 -0.304 0.000 0.995 233 G CA -0.173 44.751 45.100 -0.293 0.000 0.651 233 G HN 0.034 nan 8.290 nan 0.000 0.511 234 V N 1.660 121.405 119.914 -0.282 0.000 2.655 234 V HA 0.409 4.825 4.120 0.494 0.000 0.300 234 V C 1.311 177.330 176.094 -0.125 0.000 1.044 234 V CA 0.336 62.486 62.300 -0.250 0.000 1.095 234 V CB 1.342 32.969 31.823 -0.327 0.000 0.952 234 V HN 0.327 nan 8.190 nan 0.000 0.485 235 R N 1.848 122.295 120.500 -0.089 0.000 2.549 235 R HA 0.345 4.981 4.340 0.494 0.000 0.344 235 R C -0.227 176.163 176.300 0.149 0.000 0.979 235 R CA -0.042 56.127 56.100 0.116 0.000 1.140 235 R CB 1.073 31.404 30.300 0.053 0.000 1.377 235 R HN 0.630 nan 8.270 nan 0.000 0.541 236 S N 0.164 115.774 115.700 -0.150 0.000 2.549 236 S HA 0.742 5.508 4.470 0.494 0.000 0.280 236 S C -1.202 173.084 174.600 -0.523 0.000 1.109 236 S CA -0.417 57.733 58.200 -0.084 0.000 0.905 236 S CB 1.839 65.018 63.200 -0.034 0.000 1.081 236 S HN 0.047 nan 8.310 nan 0.000 0.477 237 F N 0.703 120.639 119.950 -0.023 0.000 2.613 237 F HA 0.835 5.651 4.527 0.481 0.000 0.310 237 F C 0.089 175.845 175.800 -0.074 0.000 1.085 237 F CA -0.733 57.182 58.000 -0.142 0.000 0.945 237 F CB 1.946 40.695 39.000 -0.418 0.000 1.298 237 F HN 0.717 nan 8.300 nan 0.000 0.455 238 A N 0.816 123.677 122.820 0.068 0.000 2.587 238 A HA 0.894 5.511 4.320 0.494 0.000 0.293 238 A C -2.074 175.522 177.584 0.021 0.000 1.087 238 A CA -0.787 51.261 52.037 0.019 0.000 0.692 238 A CB 1.818 20.718 19.000 -0.167 0.000 1.291 238 A HN 0.537 nan 8.150 nan 0.000 0.407 239 V N 1.669 121.621 119.914 0.064 0.000 2.482 239 V HA 0.518 4.934 4.120 0.494 0.000 0.295 239 V C -1.428 174.653 176.094 -0.022 0.000 1.026 239 V CA -0.447 61.789 62.300 -0.107 0.000 0.856 239 V CB 1.186 32.976 31.823 -0.055 0.000 1.001 239 V HN 0.674 nan 8.190 nan 0.000 0.424 240 F N 4.260 124.019 119.950 -0.319 0.000 2.420 240 F HA 0.604 5.432 4.527 0.502 0.000 0.342 240 F C 0.251 175.793 175.800 -0.430 0.000 1.113 240 F CA -1.587 56.328 58.000 -0.142 0.000 1.059 240 F CB 1.381 40.463 39.000 0.138 0.000 1.128 240 F HN 0.401 nan 8.300 nan 0.000 0.475 241 F N 1.046 121.128 119.950 0.220 0.000 2.855 241 F HA 0.153 4.996 4.527 0.527 0.000 0.317 241 F C 0.361 176.238 175.800 0.129 0.000 1.169 241 F CA -0.916 57.141 58.000 0.096 0.000 1.299 241 F CB -0.122 38.973 39.000 0.159 0.000 0.962 241 F HN 0.258 nan 8.300 nan 0.000 0.506 242 D N -1.250 119.303 120.400 0.256 0.000 2.264 242 D HA 0.105 5.041 4.640 0.494 0.000 0.249 242 D C 0.073 176.588 176.300 0.359 0.000 1.070 242 D CA -0.196 53.934 54.000 0.217 0.000 0.912 242 D CB 1.030 41.631 40.800 -0.331 0.000 1.193 242 D HN -0.007 nan 8.370 nan 0.000 0.427 243 D N -0.449 120.206 120.400 0.426 0.000 2.723 243 D HA -0.154 4.782 4.640 0.494 0.000 0.236 243 D C -0.069 176.407 176.300 0.294 0.000 1.138 243 D CA 0.750 54.987 54.000 0.395 0.000 0.676 243 D CB -1.436 39.605 40.800 0.402 0.000 1.069 243 D HN 0.645 nan 8.370 nan 0.000 0.430 244 I N -3.839 116.865 120.570 0.223 0.000 3.206 244 I HA 0.795 5.262 4.170 0.494 0.000 0.313 244 I C -0.060 176.115 176.117 0.097 0.000 1.103 244 I CA -0.876 60.512 61.300 0.147 0.000 0.985 244 I CB 2.563 40.625 38.000 0.103 0.000 1.240 244 I HN -0.016 nan 8.210 nan 0.000 0.464 245 S N 0.926 116.668 115.700 0.070 0.000 2.588 245 S HA 0.965 5.732 4.470 0.494 0.000 0.275 245 S C -0.161 174.468 174.600 0.049 0.000 1.130 245 S CA -0.058 58.167 58.200 0.042 0.000 0.855 245 S CB 1.316 64.526 63.200 0.017 0.000 1.116 245 S HN 2.303 nan 8.310 nan 0.000 0.472 246 G N 1.765 110.593 108.800 0.048 0.000 2.512 246 G HA2 -0.131 4.125 3.960 0.494 0.000 0.210 246 G HA3 -0.131 4.125 3.960 0.494 0.000 0.210 246 G C 0.232 175.196 174.900 0.106 0.000 1.295 246 G CA 0.103 45.239 45.100 0.060 0.000 0.934 246 G HN 0.715 nan 8.290 nan 0.000 0.554 247 E N 0.631 120.906 120.200 0.124 0.000 2.204 247 E HA -0.077 4.569 4.350 0.494 0.000 0.195 247 E C 2.452 179.280 176.600 0.379 0.000 0.990 247 E CA 1.305 57.859 56.400 0.257 0.000 0.821 247 E CB -0.615 29.231 29.700 0.243 0.000 0.750 247 E HN 0.989 nan 8.360 nan 0.000 0.477 248 G N 1.612 110.511 108.800 0.164 0.000 2.807 248 G HA2 -0.155 4.101 3.960 0.494 0.000 0.207 248 G HA3 -0.155 4.101 3.960 0.494 0.000 0.207 248 G C 1.296 176.370 174.900 0.291 0.000 1.151 248 G CA 1.269 46.474 45.100 0.175 0.000 0.800 248 G HN 0.359 nan 8.290 nan 0.000 0.523 249 T N -3.414 111.294 114.554 0.257 0.000 3.043 249 T HA 0.171 4.817 4.350 0.494 0.000 0.272 249 T C 0.694 175.514 174.700 0.201 0.000 0.990 249 T CA -0.546 61.671 62.100 0.195 0.000 0.897 249 T CB 0.044 68.992 68.868 0.133 0.000 1.111 249 T HN 0.074 nan 8.240 nan 0.000 0.529 250 N N 4.073 122.878 118.700 0.175 0.000 2.429 250 N HA 0.081 5.117 4.740 0.494 0.000 0.271 250 N C -1.199 174.212 175.510 -0.165 0.000 1.272 250 N CA -1.518 51.538 53.050 0.010 0.000 0.921 250 N CB 1.466 39.904 38.487 -0.082 0.000 1.128 250 N HN 0.141 nan 8.380 nan 0.000 0.481 251 P HA -0.265 nan 4.420 nan 0.000 0.211 251 P C 1.235 178.304 177.300 -0.385 0.000 1.181 251 P CA 1.444 64.301 63.100 -0.405 0.000 0.929 251 P CB 0.139 31.530 31.700 -0.515 0.000 0.789 252 Q N -0.307 119.298 119.800 -0.325 0.000 2.118 252 Q HA -0.233 4.403 4.340 0.494 0.000 0.211 252 Q C 2.176 177.931 176.000 -0.408 0.000 0.998 252 Q CA 2.069 57.688 55.803 -0.306 0.000 0.872 252 Q CB -0.202 28.389 28.738 -0.245 0.000 0.925 252 Q HN 0.098 nan 8.270 nan 0.000 0.414 253 K N 0.323 120.351 120.400 -0.621 0.000 2.097 253 K HA -0.152 4.465 4.320 0.494 0.000 0.206 253 K C 2.071 178.135 176.600 -0.892 0.000 1.049 253 K CA 1.339 56.992 56.287 -1.056 0.000 0.933 253 K CB -0.231 30.998 32.500 -2.118 0.000 0.717 253 K HN 0.424 nan 8.250 nan 0.000 0.442 254 Q N 0.015 119.424 119.800 -0.653 0.000 2.050 254 Q HA -0.080 4.556 4.340 0.494 0.000 0.202 254 Q C 2.165 178.055 176.000 -0.184 0.000 0.980 254 Q CA 1.584 57.142 55.803 -0.409 0.000 0.840 254 Q CB -0.212 28.155 28.738 -0.618 0.000 0.898 254 Q HN 0.327 nan 8.270 nan 0.000 0.424 255 A N 1.291 123.983 122.820 -0.214 0.000 1.902 255 A HA -0.249 4.368 4.320 0.494 0.000 0.217 255 A C 1.838 179.384 177.584 -0.063 0.000 1.181 255 A CA 1.620 53.592 52.037 -0.109 0.000 0.623 255 A CB -0.484 18.433 19.000 -0.138 0.000 0.818 255 A HN 0.347 nan 8.150 nan 0.000 0.443 256 E N -0.823 119.302 120.200 -0.125 0.000 2.110 256 E HA -0.200 4.446 4.350 0.494 0.000 0.193 256 E C 1.961 178.579 176.600 0.029 0.000 0.988 256 E CA 1.282 57.642 56.400 -0.066 0.000 0.804 256 E CB -0.265 29.352 29.700 -0.139 0.000 0.745 256 E HN 0.551 nan 8.360 nan 0.000 0.458 257 L N 0.888 122.129 121.223 0.030 0.000 2.027 257 L HA -0.158 4.478 4.340 0.494 0.000 0.206 257 L C 2.071 179.064 176.870 0.206 0.000 1.074 257 L CA 1.339 56.274 54.840 0.158 0.000 0.745 257 L CB -0.334 41.897 42.059 0.285 0.000 0.898 257 L HN 0.114 nan 8.230 nan 0.000 0.433 258 L N 0.217 121.549 121.223 0.183 0.000 1.989 258 L HA -0.244 4.392 4.340 0.494 0.000 0.211 258 L C 2.441 179.412 176.870 0.170 0.000 1.071 258 L CA 1.794 56.750 54.840 0.195 0.000 0.749 258 L CB -1.761 40.404 42.059 0.176 0.000 0.890 258 L HN 0.438 nan 8.230 nan 0.000 0.431 259 N N -0.899 117.879 118.700 0.129 0.000 2.104 259 N HA -0.257 4.779 4.740 0.494 0.000 0.190 259 N C 1.801 177.393 175.510 0.137 0.000 1.024 259 N CA 1.266 54.382 53.050 0.110 0.000 0.853 259 N CB -0.614 37.916 38.487 0.071 0.000 1.008 259 N HN 0.393 nan 8.380 nan 0.000 0.424 260 Y N 1.376 121.707 120.300 0.051 0.000 2.145 260 Y HA -0.118 4.727 4.550 0.491 0.000 0.286 260 Y C 2.213 178.160 175.900 0.078 0.000 1.145 260 Y CA 1.357 59.489 58.100 0.053 0.000 1.148 260 Y CB -0.374 38.111 38.460 0.043 0.000 0.981 260 Y HN -0.055 nan 8.280 nan 0.000 0.507 261 I N 0.339 121.053 120.570 0.239 0.000 2.208 261 I HA -0.337 4.129 4.170 0.494 0.000 0.245 261 I C 2.258 178.474 176.117 0.165 0.000 1.097 261 I CA 1.933 63.344 61.300 0.185 0.000 1.363 261 I CB -0.513 37.626 38.000 0.232 0.000 1.051 261 I HN 0.290 nan 8.210 nan 0.000 0.413 262 D N 0.795 121.280 120.400 0.141 0.000 2.092 262 D HA -0.222 4.714 4.640 0.494 0.000 0.193 262 D C 2.091 178.409 176.300 0.029 0.000 0.994 262 D CA 1.725 55.788 54.000 0.104 0.000 0.828 262 D CB 0.012 40.869 40.800 0.096 0.000 0.963 262 D HN 0.348 nan 8.370 nan 0.000 0.450 263 E N -0.855 119.330 120.200 -0.025 0.000 2.107 263 E HA -0.082 4.564 4.350 0.494 0.000 0.191 263 E C 1.711 178.232 176.600 -0.131 0.000 0.982 263 E CA 0.804 57.160 56.400 -0.072 0.000 0.809 263 E CB 0.153 29.811 29.700 -0.071 0.000 0.756 263 E HN 0.023 nan 8.360 nan 0.000 0.459 264 K N -1.211 119.045 120.400 -0.240 0.000 2.404 264 K HA 0.130 4.747 4.320 0.494 0.000 0.194 264 K C 0.445 177.025 176.600 -0.034 0.000 1.023 264 K CA 0.196 56.341 56.287 -0.236 0.000 1.094 264 K CB 0.377 32.550 32.500 -0.546 0.000 0.841 264 K HN 0.054 nan 8.250 nan 0.000 0.523 265 F N -1.383 118.472 119.950 -0.159 0.000 1.901 265 F HA 0.294 5.125 4.527 0.507 0.000 0.239 265 F C 1.593 177.334 175.800 -0.099 0.000 1.133 265 F CA 0.379 58.301 58.000 -0.130 0.000 1.271 265 F CB -0.404 38.538 39.000 -0.096 0.000 1.652 265 F HN -0.157 nan 8.300 nan 0.000 0.543 266 A N 0.114 122.939 122.820 0.009 0.000 1.972 266 A HA -0.136 4.481 4.320 0.494 0.000 0.219 266 A C 1.641 179.176 177.584 -0.081 0.000 1.169 266 A CA 1.678 53.676 52.037 -0.065 0.000 0.635 266 A CB -0.551 18.507 19.000 0.096 0.000 0.810 266 A HN 0.551 nan 8.150 nan 0.000 0.446 267 Q N -0.908 118.858 119.800 -0.057 0.000 2.360 267 Q HA 0.177 4.813 4.340 0.494 0.000 0.202 267 Q C 1.547 177.497 176.000 -0.084 0.000 0.915 267 Q CA 0.487 56.260 55.803 -0.050 0.000 0.943 267 Q CB 0.327 29.050 28.738 -0.025 0.000 1.064 267 Q HN 0.495 nan 8.270 nan 0.000 0.511 268 V N -0.099 119.730 119.914 -0.141 0.000 3.212 268 V HA 0.038 4.454 4.120 0.494 0.000 0.244 268 V C 0.718 176.692 176.094 -0.199 0.000 1.151 268 V CA 0.506 62.717 62.300 -0.148 0.000 1.119 268 V CB 0.317 32.062 31.823 -0.131 0.000 0.838 268 V HN 0.083 nan 8.190 nan 0.000 0.470 269 K N 1.699 121.905 120.400 -0.323 0.000 2.258 269 K HA 0.206 4.822 4.320 0.494 0.000 0.264 269 K C -1.486 175.039 176.600 -0.125 0.000 1.007 269 K CA -1.620 54.482 56.287 -0.308 0.000 0.941 269 K CB 0.366 32.563 32.500 -0.505 0.000 0.966 269 K HN 0.056 nan 8.250 nan 0.000 0.480 270 P HA -0.060 nan 4.420 nan 0.000 0.224 270 P C -0.188 177.132 177.300 0.033 0.000 1.157 270 P CA 1.051 64.152 63.100 0.002 0.000 0.799 270 P CB 0.308 32.023 31.700 0.025 0.000 0.809 271 D N -1.125 119.320 120.400 0.075 0.000 2.819 271 D HA 0.184 5.120 4.640 0.494 0.000 0.326 271 D C 0.003 176.379 176.300 0.127 0.000 1.408 271 D CA -0.538 53.520 54.000 0.096 0.000 0.811 271 D CB -0.879 39.978 40.800 0.096 0.000 1.148 271 D HN 0.137 nan 8.370 nan 0.000 0.457 272 I N 0.899 121.534 120.570 0.108 0.000 2.371 272 I HA 0.205 4.671 4.170 0.494 0.000 0.290 272 I C 0.819 177.022 176.117 0.143 0.000 1.028 272 I CA -0.290 61.103 61.300 0.155 0.000 1.345 272 I CB 1.046 39.111 38.000 0.108 0.000 1.407 272 I HN -0.090 nan 8.210 nan 0.000 0.501 273 N N 3.813 122.610 118.700 0.163 0.000 2.322 273 N HA 0.064 5.100 4.740 0.494 0.000 0.186 273 N C -0.310 175.286 175.510 0.144 0.000 1.037 273 N CA 0.256 53.398 53.050 0.153 0.000 0.869 273 N CB 0.192 38.769 38.487 0.150 0.000 1.036 273 N HN 0.568 nan 8.380 nan 0.000 0.439 274 Q N 0.482 120.345 119.800 0.104 0.000 2.342 274 Q HA 0.548 5.185 4.340 0.494 0.000 0.267 274 Q C -1.684 174.369 176.000 0.088 0.000 1.038 274 Q CA -0.720 55.090 55.803 0.011 0.000 0.832 274 Q CB 2.936 31.567 28.738 -0.179 0.000 1.323 274 Q HN 0.077 nan 8.270 nan 0.000 0.448 275 L N 2.555 123.830 121.223 0.086 0.000 2.441 275 L HA 0.576 5.212 4.340 0.494 0.000 0.270 275 L C -1.783 175.137 176.870 0.082 0.000 0.973 275 L CA -0.557 54.371 54.840 0.147 0.000 0.842 275 L CB 1.999 44.176 42.059 0.196 0.000 1.239 275 L HN 0.439 nan 8.230 nan 0.000 0.406 276 V N 5.388 125.339 119.914 0.061 0.000 2.841 276 V HA 0.720 5.136 4.120 0.494 0.000 0.310 276 V C -0.424 175.742 176.094 0.119 0.000 1.090 276 V CA -0.538 61.751 62.300 -0.019 0.000 0.930 276 V CB 1.934 33.612 31.823 -0.243 0.000 1.014 276 V HN 0.878 nan 8.190 nan 0.000 0.425 277 M N 3.987 123.686 119.600 0.164 0.000 2.327 277 M HA 0.743 5.519 4.480 0.494 0.000 0.298 277 M C -1.051 175.441 176.300 0.320 0.000 1.065 277 M CA -0.200 55.278 55.300 0.297 0.000 0.916 277 M CB 1.467 34.264 32.600 0.328 0.000 1.630 277 M HN 0.579 nan 8.290 nan 0.000 0.442 278 C N 6.317 125.854 119.300 0.395 0.000 2.273 278 C HA 0.851 5.608 4.460 0.494 0.000 0.328 278 C C -2.193 173.008 174.990 0.351 0.000 1.275 278 C CA -1.394 57.770 59.018 0.243 0.000 1.704 278 C CB 0.822 28.504 27.740 -0.097 0.000 2.326 278 C HN 0.811 nan 8.230 nan 0.000 0.517 279 P HA 0.212 nan 4.420 nan 0.000 0.274 279 P C 0.549 178.093 177.300 0.406 0.000 1.256 279 P CA 0.177 63.571 63.100 0.490 0.000 0.795 279 P CB 0.691 32.741 31.700 0.584 0.000 1.038 280 T N -0.715 114.026 114.554 0.312 0.000 2.770 280 T HA -0.064 4.582 4.350 0.494 0.000 0.263 280 T C 0.477 175.149 174.700 -0.047 0.000 1.039 280 T CA 1.259 63.433 62.100 0.124 0.000 1.142 280 T CB -0.349 68.488 68.868 -0.050 0.000 0.868 280 T HN 0.496 nan 8.240 nan 0.000 0.435 281 E N 1.706 121.683 120.200 -0.372 0.000 1.932 281 E HA 0.122 4.769 4.350 0.494 0.000 0.275 281 E C -0.328 176.342 176.600 0.116 0.000 1.159 281 E CA -0.237 56.062 56.400 -0.168 0.000 0.905 281 E CB 0.252 29.833 29.700 -0.198 0.000 1.059 281 E HN 0.700 nan 8.360 nan 0.000 0.400 282 Y N 1.584 121.828 120.300 -0.093 0.000 2.481 282 Y HA 0.261 5.108 4.550 0.495 0.000 0.247 282 Y C -0.207 175.074 175.900 -1.032 0.000 1.151 282 Y CA -1.051 56.882 58.100 -0.278 0.000 1.238 282 Y CB -0.038 38.184 38.460 -0.396 0.000 1.179 282 Y HN 0.292 nan 8.280 nan 0.000 0.524 283 N N -1.503 116.535 118.700 -1.104 0.000 2.610 283 N HA 0.195 5.231 4.740 0.494 0.000 0.264 283 N C 0.060 175.201 175.510 -0.614 0.000 1.348 283 N CA -1.066 51.124 53.050 -1.433 0.000 0.819 283 N CB 1.556 39.429 38.487 -1.024 0.000 1.521 283 N HN -0.045 nan 8.380 nan 0.000 0.497 284 K N -0.087 120.126 120.400 -0.312 0.000 2.032 284 K HA -0.175 4.441 4.320 0.494 0.000 0.209 284 K C 1.465 177.983 176.600 -0.135 0.000 1.048 284 K CA 2.127 58.348 56.287 -0.111 0.000 0.927 284 K CB -0.318 31.969 32.500 -0.355 0.000 0.712 284 K HN 0.675 nan 8.250 nan 0.000 0.441 285 S N -0.956 114.655 115.700 -0.148 0.000 2.515 285 S HA -0.101 4.665 4.470 0.494 0.000 0.231 285 S C 1.050 175.735 174.600 0.141 0.000 0.987 285 S CA 0.249 58.432 58.200 -0.028 0.000 0.936 285 S CB -0.227 62.960 63.200 -0.021 0.000 0.766 285 S HN 0.427 nan 8.310 nan 0.000 0.528 286 W N 2.556 123.704 121.300 -0.253 0.000 3.330 286 W HA 0.534 5.486 4.660 0.487 0.000 0.348 286 W C 0.250 176.666 176.519 -0.172 0.000 1.205 286 W CA -1.494 55.693 57.345 -0.263 0.000 1.841 286 W CB -0.851 28.332 29.460 -0.461 0.000 1.084 286 W HN 0.135 nan 8.180 nan 0.000 0.665 287 S N 1.266 117.049 115.700 0.138 0.000 2.562 287 S HA 0.084 4.850 4.470 0.494 0.000 0.275 287 S C 0.145 174.823 174.600 0.130 0.000 1.281 287 S CA -0.526 57.785 58.200 0.184 0.000 1.045 287 S CB 0.681 64.112 63.200 0.386 0.000 0.962 287 S HN -0.016 nan 8.310 nan 0.000 0.503 288 N N 3.638 122.404 118.700 0.110 0.000 2.416 288 N HA 0.196 5.232 4.740 0.494 0.000 0.265 288 N C -2.695 172.894 175.510 0.131 0.000 1.195 288 N CA -1.609 51.491 53.050 0.083 0.000 0.943 288 N CB 0.157 38.683 38.487 0.064 0.000 1.115 288 N HN 0.206 nan 8.380 nan 0.000 0.481 289 P HA 0.120 nan 4.420 nan 0.000 0.262 289 P C -0.386 176.981 177.300 0.112 0.000 1.199 289 P CA 0.341 63.527 63.100 0.144 0.000 0.763 289 P CB 0.111 31.875 31.700 0.105 0.000 0.790 290 N N -0.379 118.394 118.700 0.121 0.000 2.909 290 N HA -0.156 4.881 4.740 0.494 0.000 0.242 290 N C 0.748 176.297 175.510 0.064 0.000 0.975 290 N CA 1.121 54.217 53.050 0.076 0.000 0.921 290 N CB -1.613 36.909 38.487 0.058 0.000 1.112 290 N HN 0.613 nan 8.380 nan 0.000 0.581 291 G N 0.498 109.350 108.800 0.086 0.000 2.580 291 G HA2 0.348 4.604 3.960 0.494 0.000 0.278 291 G HA3 0.348 4.604 3.960 0.494 0.000 0.278 291 G C 0.726 175.674 174.900 0.080 0.000 1.212 291 G CA 0.158 45.307 45.100 0.081 0.000 0.939 291 G HN 0.365 nan 8.290 nan 0.000 0.513 292 N N -1.518 117.224 118.700 0.071 0.000 2.238 292 N HA -0.014 5.023 4.740 0.494 0.000 0.222 292 N C 0.925 176.455 175.510 0.033 0.000 1.133 292 N CA -0.466 52.604 53.050 0.032 0.000 0.854 292 N CB -0.221 38.260 38.487 -0.009 0.000 1.041 292 N HN 0.578 nan 8.380 nan 0.000 0.510 293 Y N 1.309 121.615 120.300 0.010 0.000 2.097 293 Y HA -0.079 4.765 4.550 0.490 0.000 0.282 293 Y C 1.721 177.631 175.900 0.016 0.000 1.152 293 Y CA 1.857 59.968 58.100 0.017 0.000 1.136 293 Y CB -0.037 38.455 38.460 0.053 0.000 0.975 293 Y HN 0.082 nan 8.280 nan 0.000 0.498 294 L N -0.705 120.637 121.223 0.199 0.000 2.179 294 L HA -0.136 4.500 4.340 0.494 0.000 0.208 294 L C 2.576 179.406 176.870 -0.067 0.000 1.096 294 L CA 1.554 56.457 54.840 0.104 0.000 0.779 294 L CB -0.830 41.321 42.059 0.153 0.000 0.922 294 L HN 0.408 nan 8.230 nan 0.000 0.443 295 T N -4.664 109.844 114.554 -0.077 0.000 2.857 295 T HA -0.140 4.506 4.350 0.494 0.000 0.266 295 T C 1.821 176.452 174.700 -0.115 0.000 1.048 295 T CA 1.480 63.518 62.100 -0.103 0.000 1.139 295 T CB -0.597 68.215 68.868 -0.093 0.000 0.874 295 T HN 0.141 nan 8.240 nan 0.000 0.455 296 T N 2.668 117.139 114.554 -0.138 0.000 2.635 296 T HA 0.007 4.653 4.350 0.494 0.000 0.267 296 T C 1.880 176.468 174.700 -0.185 0.000 1.040 296 T CA 1.550 63.550 62.100 -0.167 0.000 1.156 296 T CB -0.577 68.164 68.868 -0.212 0.000 0.863 296 T HN 0.298 nan 8.240 nan 0.000 0.430 297 L N 0.469 121.548 121.223 -0.240 0.000 2.056 297 L HA -0.010 4.627 4.340 0.494 0.000 0.207 297 L C 3.060 179.869 176.870 -0.101 0.000 1.078 297 L CA 1.384 56.111 54.840 -0.189 0.000 0.749 297 L CB -1.115 40.829 42.059 -0.192 0.000 0.901 297 L HN 0.381 nan 8.230 nan 0.000 0.433 298 G N -0.117 108.626 108.800 -0.094 0.000 2.446 298 G HA2 -0.263 3.993 3.960 0.494 0.000 0.217 298 G HA3 -0.263 3.993 3.960 0.494 0.000 0.217 298 G C 1.115 175.978 174.900 -0.062 0.000 1.168 298 G CA 1.010 46.067 45.100 -0.071 0.000 0.771 298 G HN 0.315 nan 8.290 nan 0.000 0.551 299 D N 0.218 120.574 120.400 -0.074 0.000 2.149 299 D HA 0.005 4.941 4.640 0.494 0.000 0.201 299 D C 2.448 178.716 176.300 -0.055 0.000 0.972 299 D CA 0.721 54.684 54.000 -0.062 0.000 0.835 299 D CB 0.031 40.791 40.800 -0.067 0.000 0.966 299 D HN 0.214 nan 8.370 nan 0.000 0.476 300 K N 0.095 120.454 120.400 -0.068 0.000 2.202 300 K HA 0.141 4.757 4.320 0.494 0.000 0.201 300 K C 0.970 177.549 176.600 -0.036 0.000 1.051 300 K CA -0.094 56.157 56.287 -0.060 0.000 0.977 300 K CB 0.257 32.704 32.500 -0.088 0.000 0.792 300 K HN 0.169 nan 8.250 nan 0.000 0.469 301 L N 3.514 124.719 121.223 -0.030 0.000 2.513 301 L HA -0.010 4.627 4.340 0.494 0.000 0.272 301 L C 0.129 177.012 176.870 0.021 0.000 1.187 301 L CA -0.288 54.556 54.840 0.006 0.000 0.895 301 L CB -0.028 42.045 42.059 0.023 0.000 1.147 301 L HN 0.095 nan 8.230 nan 0.000 0.483 302 N N 5.791 124.513 118.700 0.035 0.000 2.293 302 N HA -0.056 4.981 4.740 0.494 0.000 0.253 302 N C -1.431 174.109 175.510 0.050 0.000 1.248 302 N CA -1.005 52.069 53.050 0.041 0.000 0.845 302 N CB 0.245 38.761 38.487 0.050 0.000 1.073 302 N HN 0.365 nan 8.380 nan 0.000 0.464 303 P HA -0.144 nan 4.420 nan 0.000 0.218 303 P C 0.845 178.189 177.300 0.074 0.000 1.146 303 P CA 1.355 64.484 63.100 0.049 0.000 0.813 303 P CB 0.077 31.800 31.700 0.038 0.000 0.778 304 S N -1.693 114.056 115.700 0.081 0.000 2.603 304 S HA 0.070 4.837 4.470 0.494 0.000 0.220 304 S C 0.838 175.513 174.600 0.125 0.000 0.967 304 S CA -0.175 58.088 58.200 0.105 0.000 0.920 304 S CB -0.981 62.278 63.200 0.097 0.000 0.773 304 S HN 0.043 nan 8.310 nan 0.000 0.529 305 I N 2.914 123.552 120.570 0.114 0.000 2.315 305 I HA 0.229 4.695 4.170 0.494 0.000 0.291 305 I C -0.016 176.179 176.117 0.131 0.000 1.006 305 I CA -0.666 60.708 61.300 0.123 0.000 1.265 305 I CB 1.026 39.098 38.000 0.119 0.000 1.387 305 I HN 0.145 nan 8.210 nan 0.000 0.475 306 Q N 6.677 126.554 119.800 0.129 0.000 2.327 306 Q HA 0.467 5.104 4.340 0.494 0.000 0.254 306 Q C -0.505 175.574 176.000 0.132 0.000 0.952 306 Q CA -0.045 55.852 55.803 0.156 0.000 0.884 306 Q CB 2.062 30.880 28.738 0.133 0.000 1.224 306 Q HN 0.551 nan 8.270 nan 0.000 0.422 307 I N 2.880 123.563 120.570 0.189 0.000 2.389 307 I HA 0.296 4.762 4.170 0.494 0.000 0.288 307 I C 0.163 176.454 176.117 0.290 0.000 0.999 307 I CA -0.444 60.982 61.300 0.211 0.000 1.129 307 I CB 1.170 39.278 38.000 0.180 0.000 1.288 307 I HN 0.367 nan 8.210 nan 0.000 0.444 308 M N 5.261 125.038 119.600 0.296 0.000 2.197 308 M HA 0.373 5.149 4.480 0.494 0.000 0.305 308 M C -0.739 175.851 176.300 0.484 0.000 1.162 308 M CA 0.032 55.556 55.300 0.374 0.000 1.099 308 M CB 1.677 34.455 32.600 0.297 0.000 1.430 308 M HN 0.582 nan 8.290 nan 0.000 0.481 309 W N 0.432 121.832 121.300 0.165 0.000 3.818 309 W HA 0.161 5.117 4.660 0.492 0.000 0.283 309 W C -0.535 176.027 176.519 0.073 0.000 1.265 309 W CA -0.514 56.901 57.345 0.117 0.000 1.226 309 W CB 1.600 31.152 29.460 0.154 0.000 1.281 309 W HN 0.806 nan 8.180 nan 0.000 0.539 310 T N 1.196 115.451 114.554 -0.498 0.000 3.069 310 T HA 0.492 5.139 4.350 0.494 0.000 0.252 310 T C 0.771 175.222 174.700 -0.414 0.000 1.053 310 T CA 1.013 62.878 62.100 -0.391 0.000 0.964 310 T CB 0.644 69.210 68.868 -0.504 0.000 1.005 310 T HN 1.358 nan 8.240 nan 0.000 0.532 311 G N 1.323 109.674 108.800 -0.747 0.000 2.378 311 G HA2 -0.152 4.104 3.960 0.494 0.000 0.198 311 G HA3 -0.152 4.104 3.960 0.494 0.000 0.198 311 G C -0.309 174.436 174.900 -0.258 0.000 1.223 311 G CA 0.032 45.011 45.100 -0.202 0.000 1.088 311 G HN 0.160 nan 8.290 nan 0.000 0.530 312 D N 1.122 121.475 120.400 -0.077 0.000 2.269 312 D HA 0.104 5.041 4.640 0.494 0.000 0.208 312 D C 1.508 177.671 176.300 -0.229 0.000 0.963 312 D CA 1.197 55.126 54.000 -0.117 0.000 0.864 312 D CB 0.110 40.871 40.800 -0.066 0.000 0.936 312 D HN 0.458 nan 8.370 nan 0.000 0.505 313 R N -0.997 119.336 120.500 -0.278 0.000 2.855 313 R HA 0.353 4.989 4.340 0.494 0.000 0.266 313 R C 1.137 177.129 176.300 -0.514 0.000 1.034 313 R CA -0.776 55.124 56.100 -0.334 0.000 0.944 313 R CB 1.391 31.581 30.300 -0.183 0.000 1.219 313 R HN -0.280 nan 8.270 nan 0.000 0.474 314 V N 1.143 120.657 119.914 -0.667 0.000 2.250 314 V HA -0.172 4.244 4.120 0.494 0.000 0.250 314 V C 1.116 176.794 176.094 -0.694 0.000 1.060 314 V CA 1.695 63.503 62.300 -0.820 0.000 1.030 314 V CB -0.225 30.974 31.823 -1.039 0.000 0.643 314 V HN 0.467 nan 8.190 nan 0.000 0.445 315 I N 0.900 121.076 120.570 -0.656 0.000 2.339 315 I HA 0.574 5.040 4.170 0.494 0.000 0.290 315 I C -0.120 175.744 176.117 -0.423 0.000 0.994 315 I CA 0.353 61.272 61.300 -0.634 0.000 1.191 315 I CB 0.677 38.237 38.000 -0.734 0.000 1.343 315 I HN 0.446 nan 8.210 nan 0.000 0.458 316 S N 4.310 119.820 115.700 -0.317 0.000 2.611 316 S HA 0.471 5.237 4.470 0.494 0.000 0.270 316 S C -1.625 173.152 174.600 0.296 0.000 1.131 316 S CA -1.056 57.166 58.200 0.038 0.000 0.826 316 S CB 2.236 65.433 63.200 -0.004 0.000 1.095 316 S HN 0.430 nan 8.310 nan 0.000 0.461 317 D N 1.067 121.659 120.400 0.321 0.000 2.229 317 D HA 0.501 5.438 4.640 0.494 0.000 0.249 317 D C -0.052 176.326 176.300 0.130 0.000 1.027 317 D CA -0.417 53.740 54.000 0.262 0.000 0.923 317 D CB 0.730 41.620 40.800 0.150 0.000 1.174 317 D HN 0.521 nan 8.370 nan 0.000 0.443 318 I N 1.466 122.074 120.570 0.064 0.000 2.371 318 I HA 0.170 4.637 4.170 0.494 0.000 0.290 318 I C 1.102 177.280 176.117 0.102 0.000 1.028 318 I CA -0.348 61.029 61.300 0.127 0.000 1.345 318 I CB 0.284 38.404 38.000 0.199 0.000 1.407 318 I HN 0.330 nan 8.210 nan 0.000 0.501 319 T N 2.754 117.381 114.554 0.122 0.000 2.940 319 T HA 0.467 5.113 4.350 0.494 0.000 0.288 319 T C 0.998 175.765 174.700 0.112 0.000 1.045 319 T CA -0.781 61.379 62.100 0.100 0.000 1.018 319 T CB 2.363 71.284 68.868 0.090 0.000 1.151 319 T HN 0.639 nan 8.240 nan 0.000 0.529 320 R N 0.171 120.726 120.500 0.091 0.000 2.066 320 R HA -0.097 4.539 4.340 0.494 0.000 0.232 320 R C 1.339 177.701 176.300 0.104 0.000 1.131 320 R CA 1.988 58.141 56.100 0.087 0.000 0.955 320 R CB -0.610 29.731 30.300 0.067 0.000 0.851 320 R HN 0.712 nan 8.270 nan 0.000 0.432 321 D N -0.401 120.062 120.400 0.104 0.000 2.144 321 D HA -0.105 4.831 4.640 0.494 0.000 0.199 321 D C 1.723 178.130 176.300 0.177 0.000 0.984 321 D CA 1.536 55.612 54.000 0.126 0.000 0.834 321 D CB -0.586 40.277 40.800 0.104 0.000 0.955 321 D HN 0.524 nan 8.370 nan 0.000 0.465 322 G N 0.807 109.709 108.800 0.171 0.000 2.433 322 G HA2 -0.243 4.014 3.960 0.494 0.000 0.216 322 G HA3 -0.243 4.014 3.960 0.494 0.000 0.216 322 G C 1.680 176.753 174.900 0.288 0.000 1.186 322 G CA 0.394 45.635 45.100 0.235 0.000 0.779 322 G HN 0.252 nan 8.290 nan 0.000 0.543 323 I N 0.560 121.261 120.570 0.219 0.000 2.361 323 I HA -0.072 4.394 4.170 0.494 0.000 0.251 323 I C 2.894 179.071 176.117 0.100 0.000 1.133 323 I CA 1.454 62.852 61.300 0.163 0.000 1.413 323 I CB -0.118 37.969 38.000 0.145 0.000 1.073 323 I HN 0.175 nan 8.210 nan 0.000 0.424 324 S N -0.785 114.987 115.700 0.121 0.000 2.355 324 S HA -0.265 4.501 4.470 0.494 0.000 0.222 324 S C 1.847 176.501 174.600 0.090 0.000 1.031 324 S CA 1.467 59.717 58.200 0.084 0.000 0.993 324 S CB -0.622 62.632 63.200 0.090 0.000 0.859 324 S HN 0.648 nan 8.310 nan 0.000 0.453 325 W N 1.564 122.856 121.300 -0.014 0.000 2.317 325 W HA -0.194 4.761 4.660 0.492 0.000 0.318 325 W C 1.945 178.392 176.519 -0.120 0.000 1.227 325 W CA 1.752 59.081 57.345 -0.026 0.000 1.269 325 W CB -0.638 28.843 29.460 0.036 0.000 1.155 325 W HN 0.363 nan 8.180 nan 0.000 0.484 326 I N 1.522 122.157 120.570 0.108 0.000 2.202 326 I HA -0.299 4.168 4.170 0.494 0.000 0.242 326 I C 1.918 177.821 176.117 -0.357 0.000 1.091 326 I CA 1.973 63.057 61.300 -0.360 0.000 1.368 326 I CB -1.032 36.343 38.000 -1.041 0.000 1.058 326 I HN -0.044 nan 8.210 nan 0.000 0.410 327 N N 0.841 119.416 118.700 -0.209 0.000 2.149 327 N HA -0.258 4.779 4.740 0.494 0.000 0.188 327 N C 1.857 177.271 175.510 -0.160 0.000 1.019 327 N CA 1.523 54.486 53.050 -0.145 0.000 0.857 327 N CB -0.491 37.957 38.487 -0.064 0.000 0.997 327 N HN 0.567 nan 8.380 nan 0.000 0.426 328 E N 0.681 120.766 120.200 -0.191 0.000 2.209 328 E HA -0.146 4.500 4.350 0.494 0.000 0.196 328 E C 1.426 177.883 176.600 -0.238 0.000 0.993 328 E CA 0.890 57.170 56.400 -0.199 0.000 0.819 328 E CB 0.159 29.728 29.700 -0.219 0.000 0.745 328 E HN 0.351 nan 8.360 nan 0.000 0.477 329 R N -0.015 120.292 120.500 -0.322 0.000 2.156 329 R HA 0.104 4.741 4.340 0.494 0.000 0.207 329 R C 2.447 178.630 176.300 -0.195 0.000 1.040 329 R CA 0.949 56.872 56.100 -0.295 0.000 1.013 329 R CB -0.042 30.006 30.300 -0.419 0.000 0.931 329 R HN 0.328 nan 8.270 nan 0.000 0.465 330 I N -2.049 118.412 120.570 -0.182 0.000 3.728 330 I HA 0.181 4.647 4.170 0.494 0.000 0.307 330 I C -0.373 175.700 176.117 -0.073 0.000 1.276 330 I CA -0.060 61.174 61.300 -0.110 0.000 1.285 330 I CB 0.406 38.352 38.000 -0.090 0.000 1.038 330 I HN -0.117 nan 8.210 nan 0.000 0.445 331 K N 2.340 122.689 120.400 -0.085 0.000 3.230 331 K HA -0.171 4.445 4.320 0.494 0.000 0.285 331 K C -0.274 176.311 176.600 -0.026 0.000 1.196 331 K CA 1.127 57.380 56.287 -0.057 0.000 0.838 331 K CB -1.913 30.558 32.500 -0.048 0.000 1.262 331 K HN 0.909 nan 8.250 nan 0.000 0.492 332 R N -2.843 117.645 120.500 -0.020 0.000 2.741 332 R HA 0.482 5.118 4.340 0.494 0.000 0.276 332 R C -3.318 172.995 176.300 0.022 0.000 1.028 332 R CA -1.853 54.256 56.100 0.015 0.000 0.865 332 R CB 0.903 31.229 30.300 0.045 0.000 1.268 332 R HN -0.276 nan 8.270 nan 0.000 0.475 333 P HA 0.167 nan 4.420 nan 0.000 0.276 333 P C -0.466 176.901 177.300 0.112 0.000 1.253 333 P CA -0.101 63.038 63.100 0.065 0.000 0.766 333 P CB 1.113 32.855 31.700 0.069 0.000 0.845 334 A N 4.052 126.930 122.820 0.097 0.000 2.561 334 A HA -0.018 4.598 4.320 0.494 0.000 0.234 334 A C -0.517 177.229 177.584 0.271 0.000 1.055 334 A CA 0.261 52.401 52.037 0.171 0.000 0.756 334 A CB -0.567 18.511 19.000 0.130 0.000 0.986 334 A HN 0.604 nan 8.150 nan 0.000 0.505 335 Y N 3.823 124.245 120.300 0.204 0.000 2.518 335 Y HA 0.357 5.206 4.550 0.499 0.000 0.344 335 Y C -0.015 176.010 175.900 0.208 0.000 0.982 335 Y CA -1.034 57.191 58.100 0.210 0.000 1.234 335 Y CB 0.334 38.913 38.460 0.197 0.000 1.114 335 Y HN 0.490 nan 8.280 nan 0.000 0.515 336 I N 6.253 126.946 120.570 0.205 0.000 2.618 336 I HA -0.156 4.311 4.170 0.494 0.000 0.284 336 I C -0.146 176.003 176.117 0.054 0.000 1.146 336 I CA -0.228 61.132 61.300 0.100 0.000 1.425 336 I CB 0.113 38.008 38.000 -0.174 0.000 1.383 336 I HN 0.715 nan 8.210 nan 0.000 0.562 337 W N 9.125 130.366 121.300 -0.098 0.000 2.298 337 W HA 0.212 5.159 4.660 0.479 0.000 0.327 337 W C -1.340 175.064 176.519 -0.191 0.000 0.988 337 W CA -1.647 55.596 57.345 -0.169 0.000 1.448 337 W CB 0.969 30.291 29.460 -0.230 0.000 1.243 337 W HN 0.572 nan 8.180 nan 0.000 0.388 338 W N 7.826 129.018 121.300 -0.179 0.000 2.342 338 W HA 0.261 5.218 4.660 0.494 0.000 0.310 338 W C 0.386 176.911 176.519 0.009 0.000 1.128 338 W CA -0.655 56.587 57.345 -0.172 0.000 1.322 338 W CB 0.536 29.785 29.460 -0.351 0.000 1.251 338 W HN 0.226 nan 8.180 nan 0.000 0.439 339 N N 6.693 125.217 118.700 -0.293 0.000 3.210 339 N HA 0.054 5.090 4.740 0.494 0.000 0.314 339 N C -1.537 173.618 175.510 -0.591 0.000 1.291 339 N CA 0.339 53.187 53.050 -0.338 0.000 1.202 339 N CB -0.690 37.588 38.487 -0.348 0.000 1.475 339 N HN 0.331 nan 8.380 nan 0.000 0.554 340 F N 0.684 120.094 119.950 -0.899 0.000 2.635 340 F HA 0.332 5.156 4.527 0.495 0.000 0.314 340 F C -2.277 173.229 175.800 -0.490 0.000 1.119 340 F CA -1.712 55.771 58.000 -0.861 0.000 1.000 340 F CB 2.289 40.367 39.000 -1.536 0.000 1.278 340 F HN -0.060 nan 8.300 nan 0.000 0.446 341 P HA 0.033 nan 4.420 nan 0.000 0.257 341 P C 0.278 177.158 177.300 -0.701 0.000 1.325 341 P CA 0.337 62.552 63.100 -1.475 0.000 0.850 341 P CB 0.349 31.448 31.700 -1.002 0.000 1.324 342 V N 1.088 120.747 119.914 -0.425 0.000 2.780 342 V HA -0.128 4.288 4.120 0.494 0.000 0.301 342 V C 1.134 177.053 176.094 -0.291 0.000 1.168 342 V CA 1.524 63.670 62.300 -0.257 0.000 1.305 342 V CB -0.040 31.732 31.823 -0.084 0.000 0.858 342 V HN 0.156 nan 8.190 nan 0.000 0.502 343 S N 2.811 118.332 115.700 -0.298 0.000 2.603 343 S HA 0.113 4.879 4.470 0.494 0.000 0.232 343 S C 1.059 175.472 174.600 -0.311 0.000 1.016 343 S CA 0.258 58.247 58.200 -0.352 0.000 0.976 343 S CB 0.055 63.116 63.200 -0.231 0.000 0.921 343 S HN 1.086 nan 8.310 nan 0.000 0.516 344 D N 1.177 121.488 120.400 -0.147 0.000 2.403 344 D HA -0.157 4.779 4.640 0.494 0.000 0.227 344 D C 0.919 177.254 176.300 0.058 0.000 0.995 344 D CA 0.677 54.683 54.000 0.010 0.000 0.928 344 D CB -0.513 40.387 40.800 0.167 0.000 0.887 344 D HN 0.724 nan 8.370 nan 0.000 0.529 345 Y N -1.563 118.754 120.300 0.027 0.000 2.527 345 Y HA 0.382 5.226 4.550 0.491 0.000 0.247 345 Y C 0.302 176.235 175.900 0.055 0.000 1.138 345 Y CA -0.664 57.452 58.100 0.028 0.000 1.228 345 Y CB 0.327 38.829 38.460 0.070 0.000 1.252 345 Y HN -0.037 nan 8.280 nan 0.000 0.531 346 V N -1.272 118.422 119.914 -0.368 0.000 2.562 346 V HA 0.479 4.896 4.120 0.494 0.000 0.274 346 V C 0.563 176.668 176.094 0.018 0.000 1.075 346 V CA -0.717 61.493 62.300 -0.150 0.000 1.204 346 V CB 0.301 31.930 31.823 -0.324 0.000 1.478 346 V HN 0.278 nan 8.190 nan 0.000 0.622 347 R N 1.178 121.734 120.500 0.095 0.000 2.316 347 R HA -0.013 4.623 4.340 0.494 0.000 0.202 347 R C 1.172 177.666 176.300 0.323 0.000 1.029 347 R CA 1.257 57.455 56.100 0.163 0.000 1.018 347 R CB 0.067 30.471 30.300 0.174 0.000 0.888 347 R HN 0.845 nan 8.270 nan 0.000 0.471 348 D N -0.876 119.725 120.400 0.336 0.000 2.340 348 D HA -0.048 4.888 4.640 0.494 0.000 0.220 348 D C 0.237 176.817 176.300 0.467 0.000 1.039 348 D CA 0.370 54.603 54.000 0.387 0.000 0.866 348 D CB -0.086 40.827 40.800 0.189 0.000 0.913 348 D HN 0.216 nan 8.370 nan 0.000 0.523 349 H N -0.015 119.210 119.070 0.259 0.000 2.529 349 H HA 0.426 5.278 4.556 0.493 0.000 0.348 349 H C -0.094 175.096 175.328 -0.231 0.000 1.152 349 H CA -0.886 55.221 56.048 0.098 0.000 1.202 349 H CB 2.265 32.036 29.762 0.016 0.000 1.562 349 H HN -0.099 nan 8.280 nan 0.000 0.515 350 L N 3.199 124.163 121.223 -0.432 0.000 2.325 350 L HA 0.312 4.948 4.340 0.494 0.000 0.279 350 L C -0.169 176.555 176.870 -0.243 0.000 1.054 350 L CA -0.676 53.845 54.840 -0.531 0.000 0.804 350 L CB 1.157 42.734 42.059 -0.803 0.000 1.200 350 L HN 0.322 nan 8.230 nan 0.000 0.436 351 L N 5.439 126.534 121.223 -0.213 0.000 2.313 351 L HA 0.354 4.991 4.340 0.494 0.000 0.273 351 L C 0.231 177.062 176.870 -0.066 0.000 1.028 351 L CA -0.073 54.696 54.840 -0.118 0.000 0.871 351 L CB 0.785 42.708 42.059 -0.227 0.000 1.242 351 L HN 0.645 nan 8.230 nan 0.000 0.434 352 L N 1.745 122.990 121.223 0.037 0.000 3.069 352 L HA 0.339 4.976 4.340 0.494 0.000 0.271 352 L C 1.322 178.407 176.870 0.358 0.000 1.201 352 L CA -0.216 54.695 54.840 0.119 0.000 1.015 352 L CB 0.644 42.705 42.059 0.003 0.000 1.371 352 L HN 0.621 nan 8.230 nan 0.000 0.574 353 G N 0.971 109.957 108.800 0.310 0.000 2.611 353 G HA2 0.322 4.578 3.960 0.494 0.000 0.273 353 G HA3 0.322 4.578 3.960 0.494 0.000 0.273 353 G C -2.445 172.545 174.900 0.151 0.000 1.305 353 G CA -0.734 44.466 45.100 0.167 0.000 1.010 353 G HN -0.132 nan 8.290 nan 0.000 0.509 354 P HA 0.185 nan 4.420 nan 0.000 0.272 354 P C -0.413 176.947 177.300 0.100 0.000 1.230 354 P CA -0.333 62.592 63.100 -0.291 0.000 0.788 354 P CB 1.072 32.111 31.700 -1.101 0.000 0.949 355 V N 3.824 123.887 119.914 0.249 0.000 2.406 355 V HA 0.326 4.742 4.120 0.494 0.000 0.272 355 V C -0.071 176.151 176.094 0.213 0.000 1.043 355 V CA 0.315 62.776 62.300 0.267 0.000 0.915 355 V CB -0.692 31.366 31.823 0.392 0.000 0.988 355 V HN 0.632 nan 8.190 nan 0.000 0.466 356 Y N 2.098 122.351 120.300 -0.079 0.000 2.689 356 Y HA 0.816 5.663 4.550 0.495 0.000 0.333 356 Y C 0.575 176.404 175.900 -0.118 0.000 1.208 356 Y CA -0.375 57.664 58.100 -0.102 0.000 1.055 356 Y CB 1.530 39.906 38.460 -0.139 0.000 1.304 356 Y HN 0.743 nan 8.280 nan 0.000 0.455 357 G N 0.934 109.705 108.800 -0.049 0.000 2.238 357 G HA2 -0.224 4.033 3.960 0.494 0.000 0.217 357 G HA3 -0.224 4.033 3.960 0.494 0.000 0.217 357 G C -0.778 174.050 174.900 -0.119 0.000 0.996 357 G CA -0.185 44.863 45.100 -0.086 0.000 0.632 357 G HN 0.709 nan 8.290 nan 0.000 0.503 358 N N 1.914 120.436 118.700 -0.297 0.000 2.434 358 N HA 0.331 5.368 4.740 0.494 0.000 0.272 358 N C -0.693 174.760 175.510 -0.095 0.000 1.040 358 N CA -0.406 52.457 53.050 -0.312 0.000 0.956 358 N CB 1.514 39.536 38.487 -0.775 0.000 1.108 358 N HN 0.340 nan 8.380 nan 0.000 0.481 359 D N 0.937 121.346 120.400 0.014 0.000 2.506 359 D HA -0.072 4.865 4.640 0.494 0.000 0.234 359 D C 0.819 177.189 176.300 0.117 0.000 1.143 359 D CA 0.584 54.625 54.000 0.067 0.000 0.871 359 D CB 0.876 41.716 40.800 0.067 0.000 1.190 359 D HN 0.565 nan 8.370 nan 0.000 0.459 360 T N -0.937 113.681 114.554 0.105 0.000 3.069 360 T HA 0.015 4.661 4.350 0.494 0.000 0.252 360 T C 1.278 175.973 174.700 -0.008 0.000 1.053 360 T CA 0.446 62.598 62.100 0.086 0.000 0.964 360 T CB -0.108 68.835 68.868 0.125 0.000 1.005 360 T HN 0.404 nan 8.240 nan 0.000 0.532 361 T N -0.129 114.429 114.554 0.006 0.000 3.085 361 T HA 0.333 4.979 4.350 0.494 0.000 0.264 361 T C 1.150 175.841 174.700 -0.015 0.000 1.019 361 T CA -0.484 61.610 62.100 -0.010 0.000 0.910 361 T CB -0.720 68.153 68.868 0.010 0.000 1.059 361 T HN 0.650 nan 8.240 nan 0.000 0.542 362 I N -1.748 118.813 120.570 -0.015 0.000 3.877 362 I HA 0.705 5.172 4.170 0.494 0.000 0.332 362 I C 2.022 178.125 176.117 -0.023 0.000 1.525 362 I CA -0.780 60.521 61.300 0.002 0.000 1.146 362 I CB -0.256 37.772 38.000 0.046 0.000 1.137 362 I HN 0.075 nan 8.210 nan 0.000 0.424 363 A N 2.548 125.319 122.820 -0.082 0.000 1.903 363 A HA -0.230 4.386 4.320 0.494 0.000 0.219 363 A C 2.329 179.877 177.584 -0.061 0.000 1.191 363 A CA 1.926 53.894 52.037 -0.115 0.000 0.638 363 A CB -0.461 18.434 19.000 -0.174 0.000 0.823 363 A HN 0.545 nan 8.150 nan 0.000 0.451 364 K N -0.379 119.997 120.400 -0.040 0.000 2.283 364 K HA -0.083 4.533 4.320 0.494 0.000 0.202 364 K C 1.005 177.605 176.600 -0.001 0.000 1.048 364 K CA 1.079 57.353 56.287 -0.021 0.000 0.948 364 K CB -0.005 32.487 32.500 -0.013 0.000 0.742 364 K HN 0.476 nan 8.250 nan 0.000 0.458 365 E N 0.533 120.740 120.200 0.011 0.000 2.489 365 E HA 0.019 4.665 4.350 0.494 0.000 0.193 365 E C 0.635 177.268 176.600 0.055 0.000 1.057 365 E CA 0.377 56.796 56.400 0.032 0.000 0.866 365 E CB -0.058 29.667 29.700 0.043 0.000 0.916 365 E HN 0.443 nan 8.360 nan 0.000 0.500 366 M N -1.349 118.283 119.600 0.054 0.000 2.393 366 M HA 0.437 5.213 4.480 0.494 0.000 0.299 366 M C 0.625 176.959 176.300 0.056 0.000 1.103 366 M CA -0.695 54.657 55.300 0.086 0.000 0.910 366 M CB 2.291 34.975 32.600 0.140 0.000 1.659 366 M HN -0.197 nan 8.290 nan 0.000 0.445 367 S N 0.953 116.706 115.700 0.088 0.000 2.503 367 S HA 0.472 5.239 4.470 0.494 0.000 0.217 367 S C 0.536 175.149 174.600 0.021 0.000 0.999 367 S CA 0.413 58.670 58.200 0.095 0.000 0.914 367 S CB 0.107 63.437 63.200 0.216 0.000 0.782 367 S HN 1.080 nan 8.310 nan 0.000 0.520 368 G N -0.120 108.581 108.800 -0.165 0.000 2.704 368 G HA2 0.597 4.853 3.960 0.494 0.000 0.293 368 G HA3 0.597 4.853 3.960 0.494 0.000 0.293 368 G C -2.118 172.643 174.900 -0.231 0.000 1.421 368 G CA -0.812 43.967 45.100 -0.534 0.000 0.870 368 G HN 0.260 nan 8.290 nan 0.000 0.492 369 F N 1.696 121.490 119.950 -0.261 0.000 2.730 369 F HA 0.545 5.370 4.527 0.497 0.000 0.335 369 F C -0.373 175.426 175.800 -0.002 0.000 1.212 369 F CA -0.733 57.236 58.000 -0.051 0.000 1.016 369 F CB 1.875 40.885 39.000 0.017 0.000 1.290 369 F HN 0.543 nan 8.300 nan 0.000 0.495 370 V N 1.870 121.738 119.914 -0.078 0.000 2.769 370 V HA 0.716 5.133 4.120 0.494 0.000 0.312 370 V C -0.454 175.604 176.094 -0.061 0.000 1.061 370 V CA -0.706 61.590 62.300 -0.006 0.000 0.931 370 V CB 1.385 33.174 31.823 -0.056 0.000 1.010 370 V HN 0.711 nan 8.190 nan 0.000 0.433 371 T N 2.499 117.091 114.554 0.063 0.000 2.767 371 T HA 0.335 4.981 4.350 0.494 0.000 0.288 371 T C -0.097 174.530 174.700 -0.121 0.000 0.963 371 T CA -0.311 61.849 62.100 0.100 0.000 1.019 371 T CB 0.410 69.457 68.868 0.298 0.000 0.923 371 T HN 0.919 nan 8.240 nan 0.000 0.468 372 N N 6.795 125.365 118.700 -0.217 0.000 2.401 372 N HA 0.337 5.374 4.740 0.494 0.000 0.255 372 N C -2.200 173.248 175.510 -0.104 0.000 1.110 372 N CA -1.800 51.111 53.050 -0.232 0.000 0.949 372 N CB 0.892 39.320 38.487 -0.098 0.000 1.110 372 N HN 0.440 nan 8.380 nan 0.000 0.490 373 P HA 0.218 nan 4.420 nan 0.000 0.306 373 P C -0.081 177.143 177.300 -0.127 0.000 1.309 373 P CA -0.503 62.601 63.100 0.006 0.000 0.759 373 P CB 1.082 32.953 31.700 0.285 0.000 1.314 374 M N 0.096 119.589 119.600 -0.177 0.000 2.226 374 M HA 0.062 4.838 4.480 0.494 0.000 0.324 374 M C 1.854 177.756 176.300 -0.663 0.000 1.112 374 M CA 0.210 55.289 55.300 -0.368 0.000 1.176 374 M CB 0.169 32.642 32.600 -0.211 0.000 1.430 374 M HN 0.476 nan 8.290 nan 0.000 0.462 375 E N 0.481 120.025 120.200 -1.093 0.000 2.338 375 E HA -0.136 4.510 4.350 0.494 0.000 0.197 375 E C -0.264 176.091 176.600 -0.409 0.000 1.007 375 E CA 0.954 56.661 56.400 -1.155 0.000 0.849 375 E CB -0.090 29.062 29.700 -0.914 0.000 0.774 375 E HN 0.524 nan 8.360 nan 0.000 0.506 376 H N 0.704 119.713 119.070 -0.101 0.000 3.067 376 H HA 0.292 5.146 4.556 0.497 0.000 0.265 376 H C 0.782 176.062 175.328 -0.081 0.000 1.234 376 H CA 0.306 56.306 56.048 -0.079 0.000 1.452 376 H CB 1.246 30.907 29.762 -0.168 0.000 1.527 376 H HN 0.265 nan 8.280 nan 0.000 0.486 377 A N 3.877 126.586 122.820 -0.185 0.000 1.845 377 A HA -0.159 4.457 4.320 0.494 0.000 0.215 377 A C 2.173 179.490 177.584 -0.446 0.000 1.195 377 A CA 1.024 52.653 52.037 -0.680 0.000 0.616 377 A CB 0.021 18.114 19.000 -1.512 0.000 0.832 377 A HN 0.534 nan 8.150 nan 0.000 0.443 378 E N 0.446 120.433 120.200 -0.355 0.000 2.077 378 E HA -0.111 4.535 4.350 0.494 0.000 0.193 378 E C 2.356 178.815 176.600 -0.236 0.000 0.989 378 E CA 1.393 57.602 56.400 -0.319 0.000 0.800 378 E CB -0.560 28.984 29.700 -0.259 0.000 0.746 378 E HN 0.581 nan 8.360 nan 0.000 0.452 379 S N 1.056 116.662 115.700 -0.158 0.000 2.400 379 S HA -0.097 4.669 4.470 0.494 0.000 0.232 379 S C 2.098 176.645 174.600 -0.088 0.000 1.025 379 S CA 0.968 59.096 58.200 -0.120 0.000 0.993 379 S CB -0.120 63.008 63.200 -0.120 0.000 0.808 379 S HN 0.129 nan 8.310 nan 0.000 0.478 380 S N 1.113 116.775 115.700 -0.063 0.000 2.481 380 S HA 0.045 4.811 4.470 0.494 0.000 0.231 380 S C 1.616 176.252 174.600 0.059 0.000 0.996 380 S CA 0.520 58.730 58.200 0.015 0.000 0.942 380 S CB -0.085 63.199 63.200 0.140 0.000 0.768 380 S HN 0.485 nan 8.310 nan 0.000 0.520 381 K N 0.974 121.334 120.400 -0.067 0.000 2.281 381 K HA -0.027 4.589 4.320 0.494 0.000 0.203 381 K C 1.611 178.305 176.600 0.157 0.000 1.046 381 K CA 0.874 57.115 56.287 -0.077 0.000 0.938 381 K CB -0.285 31.837 32.500 -0.631 0.000 0.737 381 K HN 0.401 nan 8.250 nan 0.000 0.458 382 I N 0.762 121.380 120.570 0.080 0.000 2.133 382 I HA -0.273 4.193 4.170 0.494 0.000 0.238 382 I C 2.518 178.822 176.117 0.311 0.000 1.074 382 I CA 1.231 62.608 61.300 0.128 0.000 1.342 382 I CB -0.396 37.642 38.000 0.064 0.000 1.053 382 I HN 0.123 nan 8.210 nan 0.000 0.404 383 A N 0.937 123.949 122.820 0.320 0.000 1.902 383 A HA -0.152 4.464 4.320 0.494 0.000 0.217 383 A C 2.295 180.144 177.584 0.442 0.000 1.181 383 A CA 1.411 53.709 52.037 0.436 0.000 0.623 383 A CB -0.853 18.379 19.000 0.386 0.000 0.818 383 A HN 0.381 nan 8.150 nan 0.000 0.443 384 I N -2.003 118.814 120.570 0.411 0.000 2.163 384 I HA -0.303 4.163 4.170 0.494 0.000 0.243 384 I C 2.481 178.882 176.117 0.474 0.000 1.085 384 I CA 2.005 63.576 61.300 0.451 0.000 1.347 384 I CB -0.475 37.837 38.000 0.520 0.000 1.044 384 I HN 0.561 nan 8.210 nan 0.000 0.408 385 Y N 1.283 121.831 120.300 0.413 0.000 2.224 385 Y HA -0.279 4.567 4.550 0.493 0.000 0.289 385 Y C 2.719 178.743 175.900 0.206 0.000 1.146 385 Y CA 1.915 60.153 58.100 0.229 0.000 1.182 385 Y CB -0.002 38.637 38.460 0.298 0.000 0.983 385 Y HN 0.063 nan 8.280 nan 0.000 0.524 386 S N -0.699 115.320 115.700 0.532 0.000 2.371 386 S HA -0.155 4.611 4.470 0.494 0.000 0.224 386 S C 2.010 176.783 174.600 0.288 0.000 1.029 386 S CA 1.213 59.700 58.200 0.478 0.000 0.978 386 S CB -0.524 62.990 63.200 0.523 0.000 0.833 386 S HN 0.320 nan 8.310 nan 0.000 0.466 387 V N 2.228 122.307 119.914 0.275 0.000 2.407 387 V HA -0.206 4.210 4.120 0.494 0.000 0.248 387 V C 2.651 178.820 176.094 0.125 0.000 1.055 387 V CA 1.650 64.062 62.300 0.188 0.000 1.049 387 V CB -1.219 30.820 31.823 0.361 0.000 0.662 387 V HN 0.530 nan 8.190 nan 0.000 0.455 388 A N -0.527 122.356 122.820 0.105 0.000 1.883 388 A HA -0.270 4.347 4.320 0.494 0.000 0.217 388 A C 2.581 180.153 177.584 -0.019 0.000 1.186 388 A CA 2.404 54.446 52.037 0.008 0.000 0.624 388 A CB -0.882 18.051 19.000 -0.111 0.000 0.822 388 A HN 0.504 nan 8.150 nan 0.000 0.444 389 S N -1.876 113.809 115.700 -0.025 0.000 2.368 389 S HA -0.219 4.547 4.470 0.494 0.000 0.225 389 S C 1.942 176.599 174.600 0.095 0.000 1.030 389 S CA 1.749 59.966 58.200 0.028 0.000 0.999 389 S CB -0.571 62.709 63.200 0.132 0.000 0.844 389 S HN 0.711 nan 8.310 nan 0.000 0.459 390 Y N 1.660 121.847 120.300 -0.188 0.000 2.200 390 Y HA 0.118 4.964 4.550 0.493 0.000 0.290 390 Y C 2.226 177.905 175.900 -0.368 0.000 1.137 390 Y CA 1.372 59.161 58.100 -0.518 0.000 1.163 390 Y CB -0.765 37.010 38.460 -1.141 0.000 0.988 390 Y HN 0.295 nan 8.280 nan 0.000 0.518 391 A N -0.006 122.581 122.820 -0.389 0.000 2.132 391 A HA -0.060 4.557 4.320 0.494 0.000 0.213 391 A C 2.038 179.468 177.584 -0.256 0.000 1.154 391 A CA 0.663 52.418 52.037 -0.471 0.000 0.753 391 A CB -1.248 17.641 19.000 -0.185 0.000 0.826 391 A HN 0.837 nan 8.150 nan 0.000 0.469 392 W N 0.426 121.551 121.300 -0.291 0.000 2.443 392 W HA 0.078 5.033 4.660 0.492 0.000 0.296 392 W C -0.246 176.105 176.519 -0.280 0.000 1.202 392 W CA 1.324 58.519 57.345 -0.250 0.000 1.312 392 W CB 0.089 29.412 29.460 -0.229 0.000 1.120 392 W HN 0.368 nan 8.180 nan 0.000 0.536 393 N N 0.680 119.385 118.700 0.010 0.000 2.725 393 N HA 0.164 5.201 4.740 0.494 0.000 0.248 393 N C -2.078 173.352 175.510 -0.133 0.000 1.402 393 N CA -1.623 51.380 53.050 -0.078 0.000 0.766 393 N CB 0.838 39.384 38.487 0.100 0.000 1.223 393 N HN -0.170 nan 8.380 nan 0.000 0.515 394 P HA -0.047 nan 4.420 nan 0.000 0.222 394 P C 0.962 178.216 177.300 -0.077 0.000 1.147 394 P CA 0.670 63.558 63.100 -0.354 0.000 0.790 394 P CB 0.382 31.695 31.700 -0.644 0.000 0.780 395 A N 0.141 122.913 122.820 -0.081 0.000 2.014 395 A HA -0.074 4.542 4.320 0.494 0.000 0.218 395 A C 1.848 179.440 177.584 0.014 0.000 1.163 395 A CA 1.313 53.333 52.037 -0.028 0.000 0.652 395 A CB -0.639 18.331 19.000 -0.051 0.000 0.808 395 A HN 0.120 nan 8.150 nan 0.000 0.449 396 K N -1.189 119.226 120.400 0.024 0.000 2.437 396 K HA 0.182 4.799 4.320 0.494 0.000 0.205 396 K C -0.331 176.320 176.600 0.084 0.000 1.026 396 K CA -0.397 55.914 56.287 0.040 0.000 1.153 396 K CB -0.026 32.486 32.500 0.020 0.000 0.863 396 K HN 0.462 nan 8.250 nan 0.000 0.502 397 Y N 2.190 122.499 120.300 0.015 0.000 2.632 397 Y HA 0.028 4.875 4.550 0.495 0.000 0.329 397 Y C -0.329 175.612 175.900 0.068 0.000 1.174 397 Y CA -0.521 57.615 58.100 0.060 0.000 1.469 397 Y CB 0.296 38.837 38.460 0.136 0.000 1.242 397 Y HN 0.042 nan 8.280 nan 0.000 0.540 398 D N 4.736 124.740 120.400 -0.660 0.000 2.469 398 D HA 0.184 5.120 4.640 0.494 0.000 0.251 398 D C 0.508 176.408 176.300 -0.666 0.000 1.173 398 D CA -0.241 53.487 54.000 -0.454 0.000 0.882 398 D CB 1.570 42.273 40.800 -0.162 0.000 1.129 398 D HN 0.744 nan 8.370 nan 0.000 0.549 399 T N 2.380 116.577 114.554 -0.595 0.000 2.580 399 T HA -0.180 4.467 4.350 0.494 0.000 0.265 399 T C 1.442 175.975 174.700 -0.277 0.000 1.063 399 T CA 1.438 63.262 62.100 -0.459 0.000 1.170 399 T CB -0.266 68.396 68.868 -0.344 0.000 0.863 399 T HN 0.551 nan 8.240 nan 0.000 0.418 400 W N 0.992 122.251 121.300 -0.070 0.000 2.418 400 W HA 0.019 4.976 4.660 0.495 0.000 0.292 400 W C 2.839 179.453 176.519 0.159 0.000 1.213 400 W CA 0.377 57.745 57.345 0.038 0.000 1.283 400 W CB -0.384 29.053 29.460 -0.038 0.000 1.119 400 W HN 0.229 nan 8.180 nan 0.000 0.542 401 Q N 0.113 120.067 119.800 0.257 0.000 2.124 401 Q HA -0.146 4.490 4.340 0.494 0.000 0.202 401 Q C 1.916 178.040 176.000 0.206 0.000 0.977 401 Q CA 2.563 58.486 55.803 0.199 0.000 0.850 401 Q CB -0.657 28.143 28.738 0.103 0.000 0.901 401 Q HN 0.095 nan 8.270 nan 0.000 0.429 402 T N -0.537 114.125 114.554 0.180 0.000 2.812 402 T HA -0.130 4.516 4.350 0.494 0.000 0.264 402 T C 0.962 175.865 174.700 0.339 0.000 1.042 402 T CA 1.011 63.280 62.100 0.282 0.000 1.140 402 T CB -0.574 68.466 68.868 0.287 0.000 0.870 402 T HN 0.543 nan 8.240 nan 0.000 0.445 403 W N 2.536 123.903 121.300 0.111 0.000 2.317 403 W HA -0.182 4.774 4.660 0.493 0.000 0.318 403 W C 2.048 178.608 176.519 0.068 0.000 1.227 403 W CA 1.308 58.703 57.345 0.083 0.000 1.269 403 W CB -0.245 29.221 29.460 0.010 0.000 1.155 403 W HN 0.123 nan 8.180 nan 0.000 0.484 404 K N -0.292 120.254 120.400 0.243 0.000 2.103 404 K HA -0.203 4.413 4.320 0.494 0.000 0.207 404 K C 1.613 178.144 176.600 -0.115 0.000 1.048 404 K CA 1.814 58.086 56.287 -0.025 0.000 0.930 404 K CB -0.493 32.116 32.500 0.182 0.000 0.716 404 K HN 0.128 nan 8.250 nan 0.000 0.444 405 D N 0.530 120.918 120.400 -0.020 0.000 2.178 405 D HA -0.093 4.843 4.640 0.494 0.000 0.202 405 D C 1.858 177.914 176.300 -0.407 0.000 0.974 405 D CA 1.163 55.127 54.000 -0.060 0.000 0.841 405 D CB -0.071 40.834 40.800 0.174 0.000 0.953 405 D HN 0.226 nan 8.370 nan 0.000 0.478 406 A N 0.898 123.353 122.820 -0.609 0.000 1.873 406 A HA -0.100 4.516 4.320 0.494 0.000 0.215 406 A C 2.365 179.630 177.584 -0.531 0.000 1.186 406 A CA 0.706 52.145 52.037 -0.997 0.000 0.616 406 A CB -0.693 17.999 19.000 -0.515 0.000 0.823 406 A HN 0.147 nan 8.150 nan 0.000 0.442 407 I N -0.895 119.395 120.570 -0.467 0.000 2.208 407 I HA -0.263 4.203 4.170 0.494 0.000 0.245 407 I C 2.692 178.640 176.117 -0.281 0.000 1.097 407 I CA 1.855 62.912 61.300 -0.405 0.000 1.363 407 I CB -0.205 37.454 38.000 -0.568 0.000 1.051 407 I HN 0.368 nan 8.210 nan 0.000 0.413 408 R N 0.170 120.520 120.500 -0.251 0.000 2.193 408 R HA -0.085 4.552 4.340 0.494 0.000 0.213 408 R C 1.999 178.216 176.300 -0.137 0.000 1.055 408 R CA 1.353 57.356 56.100 -0.162 0.000 0.995 408 R CB -0.057 30.174 30.300 -0.116 0.000 0.893 408 R HN 0.204 nan 8.270 nan 0.000 0.459 409 T N 0.513 114.958 114.554 -0.182 0.000 2.894 409 T HA 0.060 4.707 4.350 0.494 0.000 0.258 409 T C 1.658 176.318 174.700 -0.066 0.000 1.043 409 T CA 1.086 63.129 62.100 -0.095 0.000 1.141 409 T CB 0.024 68.840 68.868 -0.086 0.000 0.873 409 T HN 0.157 nan 8.240 nan 0.000 0.449 410 I N 0.084 120.577 120.570 -0.127 0.000 2.315 410 I HA 0.014 4.481 4.170 0.494 0.000 0.248 410 I C 0.633 176.673 176.117 -0.129 0.000 1.117 410 I CA 0.923 62.141 61.300 -0.136 0.000 1.404 410 I CB 0.149 38.032 38.000 -0.194 0.000 1.071 410 I HN 0.122 nan 8.210 nan 0.000 0.419 411 L N 1.289 122.434 121.223 -0.131 0.000 2.472 411 L HA 0.333 4.969 4.340 0.494 0.000 0.256 411 L C -1.921 174.891 176.870 -0.098 0.000 1.560 411 L CA -1.326 53.445 54.840 -0.114 0.000 0.805 411 L CB 0.595 42.578 42.059 -0.127 0.000 1.017 411 L HN -0.222 nan 8.230 nan 0.000 0.519 412 P HA -0.160 nan 4.420 nan 0.000 0.217 412 P C 1.388 178.652 177.300 -0.060 0.000 1.148 412 P CA 1.588 64.647 63.100 -0.068 0.000 0.828 412 P CB 0.183 31.851 31.700 -0.054 0.000 0.783 413 S N -0.842 114.823 115.700 -0.059 0.000 2.481 413 S HA 0.142 4.908 4.470 0.494 0.000 0.231 413 S C 1.515 176.085 174.600 -0.051 0.000 0.996 413 S CA 0.714 58.885 58.200 -0.050 0.000 0.942 413 S CB -0.593 62.578 63.200 -0.049 0.000 0.768 413 S HN 0.165 nan 8.310 nan 0.000 0.520 414 A N -0.103 122.680 122.820 -0.063 0.000 2.843 414 A HA 0.869 5.485 4.320 0.494 0.000 0.248 414 A C 1.328 178.872 177.584 -0.066 0.000 0.904 414 A CA 0.098 52.100 52.037 -0.058 0.000 1.091 414 A CB -0.314 18.647 19.000 -0.065 0.000 1.208 414 A HN 0.477 nan 8.150 nan 0.000 0.476 415 A N 0.509 123.286 122.820 -0.071 0.000 1.883 415 A HA -0.170 4.446 4.320 0.494 0.000 0.217 415 A C 1.774 179.315 177.584 -0.073 0.000 1.186 415 A CA 1.898 53.878 52.037 -0.095 0.000 0.624 415 A CB -0.359 18.584 19.000 -0.096 0.000 0.822 415 A HN 0.614 nan 8.150 nan 0.000 0.444 416 E N -0.596 119.586 120.200 -0.030 0.000 2.110 416 E HA -0.206 4.440 4.350 0.494 0.000 0.193 416 E C 2.030 178.650 176.600 0.032 0.000 0.988 416 E CA 1.418 57.823 56.400 0.009 0.000 0.804 416 E CB -0.147 29.570 29.700 0.028 0.000 0.745 416 E HN 0.710 nan 8.360 nan 0.000 0.458 417 E N 0.810 121.021 120.200 0.017 0.000 2.072 417 E HA -0.171 4.476 4.350 0.494 0.000 0.191 417 E C 1.909 178.536 176.600 0.045 0.000 0.985 417 E CA 0.480 56.904 56.400 0.039 0.000 0.801 417 E CB -0.164 29.538 29.700 0.003 0.000 0.750 417 E HN 0.064 nan 8.360 nan 0.000 0.452 418 L N 1.345 122.557 121.223 -0.018 0.000 2.083 418 L HA -0.174 4.463 4.340 0.494 0.000 0.209 418 L C 1.844 178.723 176.870 0.014 0.000 1.083 418 L CA 1.842 56.671 54.840 -0.018 0.000 0.752 418 L CB -0.319 41.676 42.059 -0.105 0.000 0.899 418 L HN 0.112 nan 8.230 nan 0.000 0.433 419 E N -1.333 118.843 120.200 -0.041 0.000 2.058 419 E HA -0.301 4.346 4.350 0.494 0.000 0.194 419 E C 2.356 179.090 176.600 0.223 0.000 0.997 419 E CA 1.635 58.035 56.400 -0.000 0.000 0.801 419 E CB -0.443 29.259 29.700 0.004 0.000 0.746 419 E HN 0.714 nan 8.360 nan 0.000 0.450 420 C N 0.406 119.826 119.300 0.200 0.000 2.413 420 C HA -0.197 4.559 4.460 0.494 0.000 0.276 420 C C 2.500 177.681 174.990 0.318 0.000 1.236 420 C CA 0.909 60.092 59.018 0.275 0.000 1.735 420 C CB -1.205 26.715 27.740 0.300 0.000 2.031 420 C HN 0.488 nan 8.230 nan 0.000 0.474 421 F N 2.131 122.100 119.950 0.031 0.000 2.075 421 F HA 0.060 4.882 4.527 0.493 0.000 0.297 421 F C 2.330 178.052 175.800 -0.131 0.000 1.113 421 F CA 1.960 59.789 58.000 -0.286 0.000 1.218 421 F CB -0.830 37.919 39.000 -0.418 0.000 0.984 421 F HN 0.255 nan 8.300 nan 0.000 0.472 422 A N 0.408 123.227 122.820 -0.001 0.000 1.933 422 A HA -0.217 4.399 4.320 0.494 0.000 0.218 422 A C 2.301 179.968 177.584 0.138 0.000 1.175 422 A CA 1.736 53.802 52.037 0.048 0.000 0.628 422 A CB -1.010 18.168 19.000 0.296 0.000 0.814 422 A HN 0.612 nan 8.150 nan 0.000 0.444 423 M N -1.025 118.690 119.600 0.191 0.000 2.279 423 M HA -0.139 4.637 4.480 0.494 0.000 0.264 423 M C 0.880 177.040 176.300 -0.232 0.000 1.062 423 M CA 1.643 56.922 55.300 -0.035 0.000 1.099 423 M CB -0.191 32.301 32.600 -0.178 0.000 1.394 423 M HN 0.450 nan 8.290 nan 0.000 0.426 424 H N -0.126 119.010 119.070 0.111 0.000 2.505 424 H HA 0.379 5.231 4.556 0.494 0.000 0.286 424 H C -0.442 174.895 175.328 0.015 0.000 1.072 424 H CA -0.042 56.082 56.048 0.127 0.000 1.141 424 H CB -0.106 29.839 29.762 0.305 0.000 1.550 424 H HN 0.444 nan 8.280 nan 0.000 0.547 425 N N 0.782 119.446 118.700 -0.061 0.000 2.752 425 N HA 0.059 5.095 4.740 0.494 0.000 0.260 425 N C 0.191 175.671 175.510 -0.051 0.000 1.562 425 N CA 0.163 53.123 53.050 -0.149 0.000 0.788 425 N CB 1.432 39.597 38.487 -0.537 0.000 1.192 425 N HN 0.211 nan 8.380 nan 0.000 0.503 426 S N -1.990 113.745 115.700 0.057 0.000 2.692 426 S HA 0.083 4.850 4.470 0.494 0.000 0.269 426 S C 0.232 174.916 174.600 0.140 0.000 1.080 426 S CA -0.161 58.104 58.200 0.107 0.000 1.058 426 S CB 0.911 64.168 63.200 0.095 0.000 0.982 426 S HN 0.211 nan 8.310 nan 0.000 0.534 427 D N 0.844 121.323 120.400 0.131 0.000 2.312 427 D HA 0.507 5.443 4.640 0.494 0.000 0.248 427 D C 0.552 176.891 176.300 0.065 0.000 1.086 427 D CA -0.533 53.530 54.000 0.104 0.000 0.948 427 D CB 1.083 41.944 40.800 0.101 0.000 1.162 427 D HN 0.035 nan 8.370 nan 0.000 0.446 428 L N 1.581 122.779 121.223 -0.041 0.000 2.529 428 L HA 0.359 4.995 4.340 0.494 0.000 0.223 428 L C 1.416 177.938 176.870 -0.580 0.000 1.113 428 L CA 0.649 55.322 54.840 -0.278 0.000 0.861 428 L CB -0.851 41.170 42.059 -0.063 0.000 1.012 428 L HN 0.742 nan 8.230 nan 0.000 0.461 429 G N -0.047 108.614 108.800 -0.231 0.000 2.888 429 G HA2 -0.203 4.054 3.960 0.494 0.000 0.441 429 G HA3 -0.203 4.054 3.960 0.494 0.000 0.441 429 G C -2.518 172.362 174.900 -0.034 0.000 1.461 429 G CA -1.019 44.032 45.100 -0.081 0.000 0.897 429 G HN 0.059 nan 8.290 nan 0.000 0.547 430 P HA 0.258 nan 4.420 nan 0.000 0.262 430 P C 0.035 177.372 177.300 0.061 0.000 1.182 430 P CA 0.600 63.731 63.100 0.051 0.000 0.761 430 P CB 0.388 32.122 31.700 0.057 0.000 0.795 431 N N -0.118 118.631 118.700 0.081 0.000 2.823 431 N HA 0.402 5.438 4.740 0.494 0.000 0.251 431 N C 0.872 176.411 175.510 0.047 0.000 1.392 431 N CA -0.997 52.116 53.050 0.105 0.000 0.864 431 N CB 0.036 38.665 38.487 0.236 0.000 1.481 431 N HN 0.157 nan 8.380 nan 0.000 0.508 432 G N -1.382 107.390 108.800 -0.047 0.000 2.509 432 G HA2 -0.180 4.077 3.960 0.494 0.000 0.218 432 G HA3 -0.180 4.077 3.960 0.494 0.000 0.218 432 G C 0.371 175.136 174.900 -0.225 0.000 1.124 432 G CA 0.626 45.627 45.100 -0.165 0.000 0.776 432 G HN 0.677 nan 8.290 nan 0.000 0.547 433 H N -0.070 118.969 119.070 -0.052 0.000 2.539 433 H HA 0.163 5.015 4.556 0.492 0.000 0.269 433 H C 2.263 177.592 175.328 0.002 0.000 0.980 433 H CA 0.340 56.325 56.048 -0.106 0.000 1.152 433 H CB 0.242 29.806 29.762 -0.331 0.000 1.407 433 H HN 0.383 nan 8.280 nan 0.000 0.564 434 G N 0.888 109.777 108.800 0.147 0.000 2.166 434 G HA2 -0.330 3.926 3.960 0.494 0.000 0.260 434 G HA3 -0.330 3.926 3.960 0.494 0.000 0.260 434 G C -0.067 174.941 174.900 0.179 0.000 0.986 434 G CA 0.550 45.728 45.100 0.130 0.000 0.683 434 G HN 0.514 nan 8.290 nan 0.000 0.527 435 Y N 1.664 122.017 120.300 0.090 0.000 2.320 435 Y HA 0.717 5.565 4.550 0.497 0.000 0.334 435 Y C 0.473 176.419 175.900 0.077 0.000 1.055 435 Y CA -1.065 57.078 58.100 0.071 0.000 1.143 435 Y CB 0.727 39.233 38.460 0.078 0.000 1.193 435 Y HN 0.173 nan 8.280 nan 0.000 0.477 436 R N 4.971 125.257 120.500 -0.356 0.000 2.837 436 R HA 0.597 5.233 4.340 0.494 0.000 0.271 436 R C -1.057 175.024 176.300 -0.365 0.000 0.993 436 R CA -1.135 54.829 56.100 -0.226 0.000 0.931 436 R CB 2.045 32.291 30.300 -0.089 0.000 1.206 436 R HN 0.702 nan 8.270 nan 0.000 0.474 437 R N 0.807 121.231 120.500 -0.127 0.000 2.795 437 R HA 0.365 5.001 4.340 0.494 0.000 0.275 437 R C -0.269 176.069 176.300 0.062 0.000 0.981 437 R CA -0.897 55.188 56.100 -0.023 0.000 0.917 437 R CB 1.917 32.242 30.300 0.042 0.000 1.202 437 R HN 0.606 nan 8.270 nan 0.000 0.469 438 E N 1.405 121.672 120.200 0.111 0.000 2.409 438 E HA 0.091 4.737 4.350 0.494 0.000 0.257 438 E C -0.408 176.238 176.600 0.076 0.000 1.150 438 E CA 0.225 56.665 56.400 0.066 0.000 0.942 438 E CB 0.824 30.536 29.700 0.021 0.000 0.979 438 E HN 0.381 nan 8.360 nan 0.000 0.447 439 E N -0.117 120.133 120.200 0.083 0.000 2.363 439 E HA 0.119 4.765 4.350 0.494 0.000 0.281 439 E C -1.179 175.500 176.600 0.132 0.000 0.953 439 E CA -0.395 56.069 56.400 0.108 0.000 0.778 439 E CB 1.192 30.971 29.700 0.131 0.000 1.220 439 E HN 0.421 nan 8.360 nan 0.000 0.431 440 S N 2.909 118.705 115.700 0.161 0.000 3.533 440 S HA -0.203 4.563 4.470 0.494 0.000 0.347 440 S C 0.971 175.648 174.600 0.129 0.000 1.101 440 S CA 0.861 59.216 58.200 0.258 0.000 1.009 440 S CB -0.801 62.627 63.200 0.380 0.000 0.916 440 S HN 0.622 nan 8.310 nan 0.000 0.496 441 M N 1.858 121.489 119.600 0.053 0.000 2.159 441 M HA -0.100 4.677 4.480 0.494 0.000 0.263 441 M C 2.201 178.492 176.300 -0.016 0.000 1.063 441 M CA 2.147 57.454 55.300 0.011 0.000 1.110 441 M CB -1.240 31.347 32.600 -0.021 0.000 1.374 441 M HN 0.645 nan 8.290 nan 0.000 0.411 442 D N 0.485 120.859 120.400 -0.043 0.000 2.133 442 D HA -0.229 4.708 4.640 0.494 0.000 0.192 442 D C 1.501 177.801 176.300 0.001 0.000 1.001 442 D CA 2.091 56.062 54.000 -0.048 0.000 0.844 442 D CB -1.026 39.741 40.800 -0.054 0.000 0.944 442 D HN 0.616 nan 8.370 nan 0.000 0.447 443 I N -3.451 117.146 120.570 0.045 0.000 3.956 443 I HA 0.176 4.642 4.170 0.494 0.000 0.333 443 I C 2.181 178.309 176.117 0.019 0.000 1.302 443 I CA -0.385 60.927 61.300 0.020 0.000 1.122 443 I CB 0.127 38.131 38.000 0.007 0.000 1.013 443 I HN -0.163 nan 8.210 nan 0.000 0.405 444 Q N 2.509 122.330 119.800 0.036 0.000 2.084 444 Q HA -0.104 4.532 4.340 0.494 0.000 0.202 444 Q C -0.495 175.533 176.000 0.045 0.000 0.978 444 Q CA 2.269 58.100 55.803 0.046 0.000 0.844 444 Q CB -1.116 27.652 28.738 0.050 0.000 0.898 444 Q HN 0.365 nan 8.270 nan 0.000 0.426 445 P HA -0.091 nan 4.420 nan 0.000 0.214 445 P C 1.047 178.382 177.300 0.057 0.000 1.162 445 P CA 2.270 65.395 63.100 0.041 0.000 0.879 445 P CB -0.451 31.264 31.700 0.024 0.000 0.786 446 A N 0.066 122.912 122.820 0.043 0.000 1.908 446 A HA -0.200 4.416 4.320 0.494 0.000 0.218 446 A C 2.341 179.978 177.584 0.089 0.000 1.181 446 A CA 2.425 54.496 52.037 0.056 0.000 0.627 446 A CB -1.697 17.307 19.000 0.006 0.000 0.818 446 A HN 0.197 nan 8.150 nan 0.000 0.445 447 A N -0.457 122.397 122.820 0.057 0.000 1.908 447 A HA -0.209 4.407 4.320 0.494 0.000 0.218 447 A C 2.078 179.765 177.584 0.173 0.000 1.181 447 A CA 1.912 54.004 52.037 0.092 0.000 0.627 447 A CB -0.523 18.513 19.000 0.059 0.000 0.818 447 A HN 0.720 nan 8.150 nan 0.000 0.445 448 E N -0.419 119.858 120.200 0.129 0.000 2.072 448 E HA -0.169 4.477 4.350 0.494 0.000 0.190 448 E C 2.256 178.940 176.600 0.139 0.000 0.982 448 E CA 0.757 57.231 56.400 0.125 0.000 0.803 448 E CB -0.110 29.644 29.700 0.090 0.000 0.755 448 E HN 0.599 nan 8.360 nan 0.000 0.453 449 R N -0.285 120.302 120.500 0.144 0.000 2.073 449 R HA -0.131 4.506 4.340 0.494 0.000 0.234 449 R C 2.402 178.818 176.300 0.193 0.000 1.134 449 R CA 1.525 57.715 56.100 0.150 0.000 0.952 449 R CB -0.582 29.804 30.300 0.143 0.000 0.850 449 R HN 0.244 nan 8.270 nan 0.000 0.433 450 F N 1.590 121.602 119.950 0.104 0.000 2.091 450 F HA -0.244 4.579 4.527 0.494 0.000 0.299 450 F C 2.017 177.917 175.800 0.167 0.000 1.103 450 F CA 1.456 59.523 58.000 0.112 0.000 1.228 450 F CB -0.318 38.679 39.000 -0.004 0.000 0.984 450 F HN -0.048 nan 8.300 nan 0.000 0.477 451 L N 0.683 121.999 121.223 0.155 0.000 2.156 451 L HA -0.078 4.559 4.340 0.494 0.000 0.208 451 L C 2.279 179.199 176.870 0.083 0.000 1.095 451 L CA 1.843 56.751 54.840 0.114 0.000 0.770 451 L CB -0.993 41.204 42.059 0.229 0.000 0.914 451 L HN 0.142 nan 8.230 nan 0.000 0.439 452 K N -0.123 120.329 120.400 0.087 0.000 2.025 452 K HA -0.014 4.602 4.320 0.494 0.000 0.207 452 K C 1.977 178.620 176.600 0.071 0.000 1.049 452 K CA 1.513 57.846 56.287 0.078 0.000 0.933 452 K CB -0.497 32.050 32.500 0.077 0.000 0.714 452 K HN 0.357 nan 8.250 nan 0.000 0.438 453 A N 0.468 123.332 122.820 0.073 0.000 1.828 453 A HA -0.142 4.474 4.320 0.494 0.000 0.215 453 A C 2.127 179.786 177.584 0.126 0.000 1.203 453 A CA 1.683 53.776 52.037 0.093 0.000 0.614 453 A CB -1.244 17.832 19.000 0.127 0.000 0.844 453 A HN 0.428 nan 8.150 nan 0.000 0.445 454 F N 0.858 120.742 119.950 -0.110 0.000 2.045 454 F HA -0.293 4.530 4.527 0.494 0.000 0.297 454 F C 2.263 178.137 175.800 0.123 0.000 1.114 454 F CA 2.488 60.459 58.000 -0.049 0.000 1.207 454 F CB -0.520 38.243 39.000 -0.394 0.000 0.964 454 F HN 0.205 nan 8.300 nan 0.000 0.486 455 K N -0.223 120.201 120.400 0.040 0.000 2.113 455 K HA -0.242 4.374 4.320 0.494 0.000 0.208 455 K C 1.795 178.426 176.600 0.052 0.000 1.047 455 K CA 1.874 58.148 56.287 -0.022 0.000 0.928 455 K CB -0.370 32.142 32.500 0.020 0.000 0.716 455 K HN 0.620 nan 8.250 nan 0.000 0.446 456 E N -0.638 119.593 120.200 0.053 0.000 2.465 456 E HA 0.032 4.678 4.350 0.494 0.000 0.191 456 E C 0.674 177.283 176.600 0.016 0.000 1.053 456 E CA 0.525 56.950 56.400 0.041 0.000 0.869 456 E CB 0.343 30.064 29.700 0.034 0.000 0.977 456 E HN 0.302 nan 8.360 nan 0.000 0.483 457 G N 1.710 110.513 108.800 0.005 0.000 2.155 457 G HA2 -0.352 3.904 3.960 0.494 0.000 0.257 457 G HA3 -0.352 3.904 3.960 0.494 0.000 0.257 457 G C 0.152 175.031 174.900 -0.036 0.000 0.983 457 G CA 0.699 45.751 45.100 -0.080 0.000 0.676 457 G HN 0.368 nan 8.290 nan 0.000 0.528 458 K N 0.844 121.253 120.400 0.016 0.000 2.172 458 K HA 0.478 5.094 4.320 0.494 0.000 0.276 458 K C 0.611 177.241 176.600 0.049 0.000 1.013 458 K CA -0.685 55.614 56.287 0.021 0.000 0.913 458 K CB 0.187 32.705 32.500 0.030 0.000 1.055 458 K HN 0.322 nan 8.250 nan 0.000 0.461 459 N N 2.886 121.588 118.700 0.004 0.000 2.357 459 N HA -0.048 4.988 4.740 0.494 0.000 0.257 459 N C -0.877 174.646 175.510 0.021 0.000 1.250 459 N CA 0.223 53.245 53.050 -0.046 0.000 0.862 459 N CB 0.103 38.532 38.487 -0.096 0.000 1.066 459 N HN 0.463 nan 8.380 nan 0.000 0.468 460 Y N -0.348 120.010 120.300 0.096 0.000 2.307 460 Y HA 0.300 5.147 4.550 0.494 0.000 0.324 460 Y C 0.228 176.217 175.900 0.149 0.000 1.238 460 Y CA -1.480 56.697 58.100 0.128 0.000 1.280 460 Y CB 0.559 39.119 38.460 0.167 0.000 1.248 460 Y HN 0.369 nan 8.280 nan 0.000 0.508 461 D N 2.732 123.365 120.400 0.388 0.000 2.383 461 D HA -0.016 4.920 4.640 0.494 0.000 0.252 461 D C 0.705 177.247 176.300 0.403 0.000 1.166 461 D CA 0.114 54.281 54.000 0.279 0.000 0.879 461 D CB 1.116 42.042 40.800 0.209 0.000 1.164 461 D HN 0.876 nan 8.370 nan 0.000 0.462 462 K N 3.003 123.557 120.400 0.257 0.000 2.152 462 K HA -0.200 4.417 4.320 0.494 0.000 0.206 462 K C 1.750 178.500 176.600 0.250 0.000 1.048 462 K CA 1.395 57.845 56.287 0.272 0.000 0.933 462 K CB 0.056 32.627 32.500 0.118 0.000 0.721 462 K HN 0.486 nan 8.250 nan 0.000 0.447 463 A N 1.271 124.194 122.820 0.172 0.000 1.933 463 A HA -0.196 4.420 4.320 0.494 0.000 0.218 463 A C 1.572 179.226 177.584 0.117 0.000 1.175 463 A CA 2.027 54.133 52.037 0.116 0.000 0.628 463 A CB -0.474 18.570 19.000 0.073 0.000 0.814 463 A HN 0.343 nan 8.150 nan 0.000 0.444 464 D N -1.205 119.297 120.400 0.170 0.000 2.117 464 D HA -0.101 4.835 4.640 0.494 0.000 0.198 464 D C 1.586 177.898 176.300 0.020 0.000 0.982 464 D CA 0.989 55.061 54.000 0.121 0.000 0.828 464 D CB -0.469 40.462 40.800 0.218 0.000 0.967 464 D HN 0.485 nan 8.370 nan 0.000 0.464 465 F N 1.591 121.521 119.950 -0.035 0.000 2.126 465 F HA -0.169 4.654 4.527 0.494 0.000 0.299 465 F C 2.192 177.881 175.800 -0.184 0.000 1.096 465 F CA 1.466 59.329 58.000 -0.228 0.000 1.255 465 F CB 0.166 39.139 39.000 -0.046 0.000 0.997 465 F HN -0.101 nan 8.300 nan 0.000 0.479 466 E N -0.931 119.352 120.200 0.139 0.000 2.152 466 E HA -0.134 4.513 4.350 0.494 0.000 0.192 466 E C 2.106 178.676 176.600 -0.049 0.000 0.983 466 E CA 1.416 57.859 56.400 0.072 0.000 0.818 466 E CB -0.109 29.658 29.700 0.112 0.000 0.758 466 E HN 0.321 nan 8.360 nan 0.000 0.467 467 T N 1.334 115.839 114.554 -0.081 0.000 2.652 467 T HA -0.163 4.483 4.350 0.494 0.000 0.267 467 T C 1.852 176.423 174.700 -0.215 0.000 1.039 467 T CA 0.970 63.013 62.100 -0.095 0.000 1.153 467 T CB -0.228 68.586 68.868 -0.090 0.000 0.863 467 T HN 0.100 nan 8.240 nan 0.000 0.428 468 L N 0.618 121.573 121.223 -0.447 0.000 1.989 468 L HA -0.203 4.433 4.340 0.494 0.000 0.211 468 L C 2.916 179.111 176.870 -1.125 0.000 1.071 468 L CA 1.659 55.978 54.840 -0.868 0.000 0.749 468 L CB -0.692 40.793 42.059 -0.958 0.000 0.890 468 L HN 0.310 nan 8.230 nan 0.000 0.431 469 Q N -0.770 118.594 119.800 -0.726 0.000 2.112 469 Q HA -0.294 4.342 4.340 0.494 0.000 0.206 469 Q C 2.208 178.055 176.000 -0.255 0.000 0.987 469 Q CA 2.305 57.854 55.803 -0.423 0.000 0.858 469 Q CB -0.283 28.318 28.738 -0.228 0.000 0.905 469 Q HN 0.521 nan 8.270 nan 0.000 0.420 470 Y N 0.216 120.349 120.300 -0.279 0.000 2.242 470 Y HA -0.172 4.674 4.550 0.494 0.000 0.291 470 Y C 2.104 177.901 175.900 -0.173 0.000 1.137 470 Y CA 1.868 59.871 58.100 -0.162 0.000 1.181 470 Y CB -0.387 38.002 38.460 -0.120 0.000 0.989 470 Y HN 0.019 nan 8.280 nan 0.000 0.527 471 T N 1.052 115.375 114.554 -0.385 0.000 2.701 471 T HA -0.141 4.506 4.350 0.494 0.000 0.263 471 T C 1.495 176.006 174.700 -0.316 0.000 1.040 471 T CA 1.723 63.579 62.100 -0.407 0.000 1.147 471 T CB -0.570 68.058 68.868 -0.399 0.000 0.865 471 T HN 0.268 nan 8.240 nan 0.000 0.426 472 F N 1.666 121.445 119.950 -0.285 0.000 2.120 472 F HA -0.055 4.768 4.527 0.494 0.000 0.300 472 F C 2.467 178.113 175.800 -0.256 0.000 1.095 472 F CA 0.664 58.492 58.000 -0.286 0.000 1.249 472 F CB -1.084 37.758 39.000 -0.263 0.000 0.995 472 F HN 0.303 nan 8.300 nan 0.000 0.480 473 E N 0.240 120.389 120.200 -0.086 0.000 2.047 473 E HA -0.253 4.393 4.350 0.494 0.000 0.191 473 E C 2.429 178.936 176.600 -0.155 0.000 0.987 473 E CA 1.082 57.414 56.400 -0.113 0.000 0.799 473 E CB -0.042 29.584 29.700 -0.122 0.000 0.752 473 E HN 0.087 nan 8.360 nan 0.000 0.449 474 R N 0.260 120.582 120.500 -0.296 0.000 2.120 474 R HA -0.053 4.584 4.340 0.494 0.000 0.234 474 R C 2.216 178.499 176.300 -0.029 0.000 1.123 474 R CA 1.607 57.575 56.100 -0.219 0.000 0.975 474 R CB -0.266 29.801 30.300 -0.388 0.000 0.866 474 R HN 0.294 nan 8.270 nan 0.000 0.446 475 M N 0.007 119.583 119.600 -0.040 0.000 2.086 475 M HA -0.181 4.595 4.480 0.494 0.000 0.261 475 M C 2.004 178.324 176.300 0.034 0.000 1.067 475 M CA 1.936 57.237 55.300 0.002 0.000 1.116 475 M CB -0.229 32.144 32.600 -0.379 0.000 1.348 475 M HN 0.050 nan 8.290 nan 0.000 0.407 476 K N 0.271 120.644 120.400 -0.046 0.000 2.026 476 K HA -0.173 4.443 4.320 0.494 0.000 0.208 476 K C 1.797 178.417 176.600 0.033 0.000 1.048 476 K CA 1.566 57.845 56.287 -0.013 0.000 0.929 476 K CB -0.258 32.219 32.500 -0.039 0.000 0.713 476 K HN 0.437 nan 8.250 nan 0.000 0.439 477 E N 0.507 120.719 120.200 0.021 0.000 2.110 477 E HA -0.139 4.507 4.350 0.494 0.000 0.193 477 E C 2.060 178.689 176.600 0.049 0.000 0.988 477 E CA 1.447 57.861 56.400 0.025 0.000 0.804 477 E CB 0.029 29.734 29.700 0.008 0.000 0.745 477 E HN 0.187 nan 8.360 nan 0.000 0.458 478 S N 0.797 116.560 115.700 0.104 0.000 2.395 478 S HA -0.040 4.726 4.470 0.494 0.000 0.225 478 S C 2.138 176.783 174.600 0.076 0.000 1.027 478 S CA 0.639 58.906 58.200 0.111 0.000 0.965 478 S CB -0.101 63.223 63.200 0.206 0.000 0.812 478 S HN 0.364 nan 8.310 nan 0.000 0.482 479 A N 2.780 125.705 122.820 0.175 0.000 1.865 479 A HA -0.211 4.405 4.320 0.494 0.000 0.217 479 A C 1.838 179.419 177.584 -0.006 0.000 1.191 479 A CA 1.917 54.015 52.037 0.102 0.000 0.623 479 A CB -0.837 18.303 19.000 0.232 0.000 0.826 479 A HN 0.366 nan 8.150 nan 0.000 0.444 480 D N -0.268 120.144 120.400 0.020 0.000 2.144 480 D HA -0.065 4.871 4.640 0.494 0.000 0.200 480 D C 1.888 178.172 176.300 -0.025 0.000 0.978 480 D CA 1.027 55.027 54.000 -0.001 0.000 0.833 480 D CB -0.297 40.509 40.800 0.010 0.000 0.961 480 D HN 0.537 nan 8.370 nan 0.000 0.470 481 I N 0.498 121.053 120.570 -0.024 0.000 2.353 481 I HA -0.181 4.285 4.170 0.494 0.000 0.248 481 I C 2.387 178.460 176.117 -0.072 0.000 1.119 481 I CA 0.457 61.734 61.300 -0.037 0.000 1.417 481 I CB -0.036 37.949 38.000 -0.024 0.000 1.078 481 I HN -0.041 nan 8.210 nan 0.000 0.421 482 L N 0.266 121.424 121.223 -0.108 0.000 2.017 482 L HA -0.222 4.415 4.340 0.494 0.000 0.208 482 L C 2.543 179.310 176.870 -0.172 0.000 1.073 482 L CA 1.382 56.116 54.840 -0.177 0.000 0.745 482 L CB -0.513 41.361 42.059 -0.308 0.000 0.894 482 L HN 0.245 nan 8.230 nan 0.000 0.432 483 L N -0.989 120.136 121.223 -0.163 0.000 2.129 483 L HA -0.248 4.388 4.340 0.494 0.000 0.212 483 L C 2.150 178.964 176.870 -0.093 0.000 1.087 483 L CA 1.101 55.856 54.840 -0.143 0.000 0.757 483 L CB -0.309 41.687 42.059 -0.105 0.000 0.896 483 L HN 0.390 nan 8.230 nan 0.000 0.434 484 M N -1.398 118.157 119.600 -0.074 0.000 2.371 484 M HA 0.112 4.888 4.480 0.494 0.000 0.246 484 M C 0.476 176.742 176.300 -0.057 0.000 1.103 484 M CA 0.057 55.326 55.300 -0.052 0.000 1.010 484 M CB -0.698 31.880 32.600 -0.036 0.000 1.457 484 M HN 0.149 nan 8.290 nan 0.000 0.486 485 N N 1.995 120.651 118.700 -0.074 0.000 2.513 485 N HA 0.034 5.071 4.740 0.494 0.000 0.268 485 N C 0.351 175.819 175.510 -0.070 0.000 1.180 485 N CA 0.841 53.847 53.050 -0.073 0.000 0.948 485 N CB 1.198 39.631 38.487 -0.090 0.000 1.083 485 N HN 0.212 nan 8.380 nan 0.000 0.455 486 T N -0.519 113.999 114.554 -0.060 0.000 3.145 486 T HA 0.130 4.776 4.350 0.494 0.000 0.281 486 T C 1.031 175.697 174.700 -0.057 0.000 1.003 486 T CA -0.398 61.669 62.100 -0.055 0.000 0.901 486 T CB 0.138 68.980 68.868 -0.043 0.000 1.112 486 T HN 0.625 nan 8.240 nan 0.000 0.535 487 E N 1.800 121.962 120.200 -0.063 0.000 2.158 487 E HA -0.027 4.619 4.350 0.494 0.000 0.191 487 E C 0.480 177.035 176.600 -0.075 0.000 0.982 487 E CA 0.504 56.866 56.400 -0.064 0.000 0.823 487 E CB 0.215 29.876 29.700 -0.065 0.000 0.766 487 E HN 0.378 nan 8.360 nan 0.000 0.468 488 N N 0.229 118.876 118.700 -0.088 0.000 2.727 488 N HA 0.101 5.137 4.740 0.494 0.000 0.252 488 N C -0.412 175.037 175.510 -0.102 0.000 1.283 488 N CA -0.143 52.846 53.050 -0.103 0.000 0.782 488 N CB 0.727 39.139 38.487 -0.125 0.000 1.199 488 N HN -0.042 nan 8.380 nan 0.000 0.520 489 K N 0.811 121.160 120.400 -0.085 0.000 2.063 489 K HA -0.059 4.557 4.320 0.494 0.000 0.208 489 K C -1.019 175.532 176.600 -0.082 0.000 1.048 489 K CA 1.526 57.767 56.287 -0.077 0.000 0.928 489 K CB -0.271 32.194 32.500 -0.059 0.000 0.713 489 K HN 0.382 nan 8.250 nan 0.000 0.442 490 P HA -0.150 nan 4.420 nan 0.000 0.219 490 P C 1.245 178.483 177.300 -0.104 0.000 1.150 490 P CA 0.762 63.807 63.100 -0.091 0.000 0.814 490 P CB 0.101 31.733 31.700 -0.113 0.000 0.787 491 L N -0.762 120.383 121.223 -0.130 0.000 2.046 491 L HA -0.145 4.491 4.340 0.494 0.000 0.208 491 L C 1.940 178.732 176.870 -0.129 0.000 1.077 491 L CA 2.028 56.784 54.840 -0.140 0.000 0.747 491 L CB -1.219 40.745 42.059 -0.160 0.000 0.896 491 L HN -0.157 nan 8.230 nan 0.000 0.432 492 I N -0.939 119.555 120.570 -0.127 0.000 2.252 492 I HA -0.197 4.270 4.170 0.494 0.000 0.245 492 I C 2.606 178.660 176.117 -0.105 0.000 1.102 492 I CA 1.064 62.282 61.300 -0.137 0.000 1.385 492 I CB -1.430 36.495 38.000 -0.126 0.000 1.064 492 I HN 0.112 nan 8.210 nan 0.000 0.414 493 V N 1.107 120.979 119.914 -0.070 0.000 2.287 493 V HA -0.281 4.135 4.120 0.494 0.000 0.248 493 V C 2.465 178.556 176.094 -0.004 0.000 1.053 493 V CA 1.819 64.100 62.300 -0.032 0.000 1.027 493 V CB -0.745 31.070 31.823 -0.014 0.000 0.646 493 V HN 0.429 nan 8.190 nan 0.000 0.447 494 E N 0.319 120.510 120.200 -0.014 0.000 2.085 494 E HA -0.227 4.419 4.350 0.494 0.000 0.194 494 E C 2.053 178.635 176.600 -0.031 0.000 0.994 494 E CA 1.989 58.393 56.400 0.006 0.000 0.801 494 E CB -0.267 29.417 29.700 -0.025 0.000 0.743 494 E HN 0.827 nan 8.360 nan 0.000 0.453 495 I N -2.045 118.487 120.570 -0.064 0.000 3.603 495 I HA 0.065 4.531 4.170 0.494 0.000 0.297 495 I C 1.820 177.982 176.117 0.074 0.000 1.269 495 I CA 0.308 61.608 61.300 0.001 0.000 1.361 495 I CB -0.086 37.855 38.000 -0.099 0.000 1.063 495 I HN -0.144 nan 8.210 nan 0.000 0.448 496 T N 2.931 117.457 114.554 -0.047 0.000 2.620 496 T HA -0.120 4.526 4.350 0.494 0.000 0.267 496 T C -0.321 174.290 174.700 -0.148 0.000 1.044 496 T CA 2.583 64.576 62.100 -0.179 0.000 1.161 496 T CB -1.215 67.557 68.868 -0.159 0.000 0.862 496 T HN 0.353 nan 8.240 nan 0.000 0.438 497 P HA -0.093 nan 4.420 nan 0.000 0.216 497 P C 1.261 178.513 177.300 -0.079 0.000 1.150 497 P CA 1.038 64.091 63.100 -0.079 0.000 0.837 497 P CB -0.142 31.353 31.700 -0.341 0.000 0.786 498 W N -1.050 120.253 121.300 0.004 0.000 2.453 498 W HA -0.034 4.921 4.660 0.492 0.000 0.289 498 W C 1.937 178.570 176.519 0.190 0.000 1.215 498 W CA 0.575 57.989 57.345 0.115 0.000 1.297 498 W CB -0.855 28.703 29.460 0.163 0.000 1.113 498 W HN -0.224 nan 8.180 nan 0.000 0.551 499 V N 0.041 120.050 119.914 0.159 0.000 2.392 499 V HA -0.320 4.096 4.120 0.494 0.000 0.249 499 V C 2.222 178.371 176.094 0.092 0.000 1.059 499 V CA 1.806 64.064 62.300 -0.069 0.000 1.051 499 V CB -1.047 30.516 31.823 -0.433 0.000 0.658 499 V HN 0.155 nan 8.190 nan 0.000 0.455 500 H N -0.380 118.741 119.070 0.086 0.000 2.326 500 H HA -0.154 4.698 4.556 0.494 0.000 0.301 500 H C 2.373 177.746 175.328 0.076 0.000 1.081 500 H CA 2.091 58.170 56.048 0.051 0.000 1.334 500 H CB -0.219 29.544 29.762 0.002 0.000 1.385 500 H HN 0.411 nan 8.280 nan 0.000 0.504 501 Q N 0.176 120.105 119.800 0.214 0.000 2.119 501 Q HA -0.106 4.530 4.340 0.494 0.000 0.201 501 Q C 2.159 178.276 176.000 0.196 0.000 0.972 501 Q CA 1.011 56.894 55.803 0.133 0.000 0.847 501 Q CB -0.478 28.290 28.738 0.050 0.000 0.903 501 Q HN 0.331 nan 8.270 nan 0.000 0.433 502 F N 0.762 120.799 119.950 0.145 0.000 2.146 502 F HA -0.099 4.724 4.527 0.495 0.000 0.298 502 F C 2.055 177.905 175.800 0.083 0.000 1.096 502 F CA 1.861 59.963 58.000 0.169 0.000 1.275 502 F CB -0.183 39.048 39.000 0.385 0.000 1.008 502 F HN 0.061 nan 8.300 nan 0.000 0.480 503 K N 0.385 120.895 120.400 0.183 0.000 2.057 503 K HA -0.137 4.479 4.320 0.494 0.000 0.207 503 K C 2.022 178.563 176.600 -0.098 0.000 1.049 503 K CA 1.766 58.056 56.287 0.005 0.000 0.931 503 K CB -0.326 32.226 32.500 0.087 0.000 0.714 503 K HN 0.406 nan 8.250 nan 0.000 0.440 504 L N 0.522 121.709 121.223 -0.060 0.000 2.141 504 L HA -0.127 4.509 4.340 0.494 0.000 0.209 504 L C 2.309 179.050 176.870 -0.216 0.000 1.094 504 L CA 1.261 56.022 54.840 -0.133 0.000 0.763 504 L CB -0.608 41.393 42.059 -0.097 0.000 0.908 504 L HN 0.249 nan 8.230 nan 0.000 0.437 505 T N 0.130 114.561 114.554 -0.205 0.000 2.708 505 T HA -0.169 4.477 4.350 0.494 0.000 0.266 505 T C 2.103 176.531 174.700 -0.454 0.000 1.037 505 T CA 1.382 63.310 62.100 -0.286 0.000 1.146 505 T CB -0.254 68.483 68.868 -0.217 0.000 0.865 505 T HN 0.443 nan 8.240 nan 0.000 0.435 506 A N 1.594 124.140 122.820 -0.457 0.000 1.908 506 A HA -0.163 4.453 4.320 0.494 0.000 0.218 506 A C 2.213 179.498 177.584 -0.497 0.000 1.181 506 A CA 1.700 53.441 52.037 -0.494 0.000 0.627 506 A CB -0.549 18.239 19.000 -0.354 0.000 0.818 506 A HN 0.582 nan 8.150 nan 0.000 0.445 507 E N -1.092 118.888 120.200 -0.365 0.000 2.106 507 E HA -0.162 4.484 4.350 0.494 0.000 0.192 507 E C 2.040 178.378 176.600 -0.436 0.000 0.984 507 E CA 1.145 57.343 56.400 -0.337 0.000 0.806 507 E CB -0.245 29.291 29.700 -0.274 0.000 0.750 507 E HN 0.725 nan 8.360 nan 0.000 0.458 508 M N 0.517 119.842 119.600 -0.459 0.000 2.149 508 M HA -0.134 4.642 4.480 0.494 0.000 0.261 508 M C 2.147 178.134 176.300 -0.522 0.000 1.064 508 M CA 1.978 57.000 55.300 -0.463 0.000 1.102 508 M CB -0.211 32.145 32.600 -0.407 0.000 1.369 508 M HN 0.158 nan 8.290 nan 0.000 0.408 509 G N -0.031 108.272 108.800 -0.828 0.000 2.421 509 G HA2 -0.219 4.038 3.960 0.494 0.000 0.216 509 G HA3 -0.219 4.038 3.960 0.494 0.000 0.216 509 G C 1.206 175.727 174.900 -0.632 0.000 1.171 509 G CA 0.965 45.323 45.100 -1.236 0.000 0.775 509 G HN 0.608 nan 8.290 nan 0.000 0.543 510 E N 0.347 120.284 120.200 -0.439 0.000 2.097 510 E HA -0.149 4.498 4.350 0.494 0.000 0.196 510 E C 2.462 179.005 176.600 -0.096 0.000 1.000 510 E CA 1.119 57.460 56.400 -0.098 0.000 0.804 510 E CB -0.046 29.609 29.700 -0.076 0.000 0.740 510 E HN 0.366 nan 8.360 nan 0.000 0.454 511 E N 0.404 120.493 120.200 -0.186 0.000 2.072 511 E HA -0.100 4.547 4.350 0.494 0.000 0.190 511 E C 2.356 178.904 176.600 -0.087 0.000 0.982 511 E CA 0.572 56.886 56.400 -0.142 0.000 0.803 511 E CB -0.160 29.392 29.700 -0.248 0.000 0.755 511 E HN 0.126 nan 8.360 nan 0.000 0.453 512 V N 1.804 121.659 119.914 -0.099 0.000 2.427 512 V HA -0.205 4.212 4.120 0.494 0.000 0.248 512 V C 2.496 178.619 176.094 0.049 0.000 1.051 512 V CA 1.137 63.442 62.300 0.008 0.000 1.048 512 V CB -0.472 31.356 31.823 0.009 0.000 0.666 512 V HN 0.205 nan 8.190 nan 0.000 0.456 513 L N -0.509 120.713 121.223 -0.001 0.000 2.046 513 L HA -0.204 4.432 4.340 0.494 0.000 0.208 513 L C 2.562 179.592 176.870 0.268 0.000 1.077 513 L CA 1.722 56.579 54.840 0.028 0.000 0.747 513 L CB -0.598 41.324 42.059 -0.228 0.000 0.896 513 L HN 0.283 nan 8.230 nan 0.000 0.432 514 K N -0.248 120.281 120.400 0.215 0.000 2.147 514 K HA -0.142 4.475 4.320 0.494 0.000 0.205 514 K C 2.066 178.865 176.600 0.331 0.000 1.049 514 K CA 1.358 57.833 56.287 0.313 0.000 0.936 514 K CB -0.091 32.576 32.500 0.278 0.000 0.722 514 K HN 0.264 nan 8.250 nan 0.000 0.446 515 M N -0.125 119.590 119.600 0.191 0.000 2.319 515 M HA -0.121 4.655 4.480 0.494 0.000 0.265 515 M C 1.863 178.444 176.300 0.468 0.000 1.068 515 M CA 0.935 56.352 55.300 0.196 0.000 1.118 515 M CB 0.057 32.599 32.600 -0.097 0.000 1.395 515 M HN -0.065 nan 8.290 nan 0.000 0.435 516 V N 0.286 120.441 119.914 0.402 0.000 2.379 516 V HA -0.191 4.225 4.120 0.494 0.000 0.245 516 V C 2.064 178.424 176.094 0.444 0.000 1.044 516 V CA 1.684 64.246 62.300 0.437 0.000 1.036 516 V CB -0.606 31.378 31.823 0.268 0.000 0.664 516 V HN 0.448 nan 8.190 nan 0.000 0.453 517 E N 0.465 120.897 120.200 0.386 0.000 2.007 517 E HA -0.005 4.641 4.350 0.494 0.000 0.194 517 E C 1.441 178.228 176.600 0.312 0.000 0.999 517 E CA 0.882 57.445 56.400 0.272 0.000 0.811 517 E CB -0.306 29.523 29.700 0.216 0.000 0.762 517 E HN 0.638 nan 8.360 nan 0.000 0.450 518 G N 1.499 110.545 108.800 0.410 0.000 2.422 518 G HA2 -0.308 3.948 3.960 0.494 0.000 0.290 518 G HA3 -0.308 3.948 3.960 0.494 0.000 0.290 518 G C 0.254 175.361 174.900 0.344 0.000 1.059 518 G CA 0.675 46.078 45.100 0.504 0.000 1.242 518 G HN 0.109 nan 8.290 nan 0.000 0.520 519 R N 0.432 121.038 120.500 0.177 0.000 2.159 519 R HA -0.187 4.449 4.340 0.494 0.000 0.249 519 R C 1.614 177.998 176.300 0.140 0.000 1.136 519 R CA 2.815 58.931 56.100 0.026 0.000 0.951 519 R CB -0.094 30.046 30.300 -0.267 0.000 0.876 519 R HN 1.006 nan 8.270 nan 0.000 0.440 520 N N -3.977 114.871 118.700 0.246 0.000 3.308 520 N HA 0.006 5.042 4.740 0.494 0.000 0.276 520 N C -0.159 175.511 175.510 0.267 0.000 1.533 520 N CA -0.561 52.627 53.050 0.229 0.000 0.878 520 N CB 0.444 39.024 38.487 0.155 0.000 1.566 520 N HN -0.072 nan 8.380 nan 0.000 0.546 521 E N -0.383 119.898 120.200 0.135 0.000 2.072 521 E HA -0.185 4.461 4.350 0.494 0.000 0.191 521 E C 1.255 177.926 176.600 0.118 0.000 0.985 521 E CA 1.685 58.076 56.400 -0.015 0.000 0.801 521 E CB -0.072 29.428 29.700 -0.334 0.000 0.750 521 E HN 0.546 nan 8.360 nan 0.000 0.452 522 S N -0.670 115.104 115.700 0.124 0.000 2.387 522 S HA -0.188 4.578 4.470 0.494 0.000 0.226 522 S C 1.995 176.697 174.600 0.170 0.000 1.026 522 S CA 0.843 59.115 58.200 0.120 0.000 0.972 522 S CB -0.521 62.736 63.200 0.096 0.000 0.814 522 S HN 0.558 nan 8.310 nan 0.000 0.477 523 Y N 0.964 121.329 120.300 0.109 0.000 2.242 523 Y HA -0.013 4.833 4.550 0.494 0.000 0.291 523 Y C 1.848 177.822 175.900 0.122 0.000 1.137 523 Y CA 1.579 59.743 58.100 0.106 0.000 1.181 523 Y CB -0.647 37.884 38.460 0.119 0.000 0.989 523 Y HN 0.400 nan 8.280 nan 0.000 0.527 524 F N 0.058 120.056 119.950 0.079 0.000 2.134 524 F HA -0.228 4.595 4.527 0.494 0.000 0.299 524 F C 1.834 177.533 175.800 -0.169 0.000 1.097 524 F CA 1.784 59.761 58.000 -0.038 0.000 1.264 524 F CB -0.404 38.596 39.000 0.000 0.000 1.001 524 F HN 0.021 nan 8.300 nan 0.000 0.479 525 L N -0.227 121.012 121.223 0.026 0.000 2.141 525 L HA -0.156 4.481 4.340 0.494 0.000 0.209 525 L C 2.570 179.406 176.870 -0.056 0.000 1.094 525 L CA 1.112 55.925 54.840 -0.045 0.000 0.763 525 L CB -0.606 41.447 42.059 -0.010 0.000 0.908 525 L HN 0.014 nan 8.230 nan 0.000 0.437 526 R N 0.002 120.437 120.500 -0.108 0.000 2.083 526 R HA -0.146 4.491 4.340 0.494 0.000 0.237 526 R C 2.361 178.547 176.300 -0.190 0.000 1.137 526 R CA 1.228 57.242 56.100 -0.145 0.000 0.951 526 R CB -0.179 30.015 30.300 -0.177 0.000 0.851 526 R HN 0.223 nan 8.270 nan 0.000 0.434 527 K N -0.010 120.188 120.400 -0.335 0.000 2.057 527 K HA -0.197 4.420 4.320 0.494 0.000 0.207 527 K C 2.016 178.500 176.600 -0.195 0.000 1.049 527 K CA 1.359 57.468 56.287 -0.295 0.000 0.931 527 K CB -0.621 31.629 32.500 -0.416 0.000 0.714 527 K HN 0.314 nan 8.250 nan 0.000 0.440 528 Y N 2.498 122.555 120.300 -0.405 0.000 2.207 528 Y HA -0.227 4.619 4.550 0.494 0.000 0.287 528 Y C 1.628 177.485 175.900 -0.071 0.000 1.156 528 Y CA 1.785 59.733 58.100 -0.255 0.000 1.182 528 Y CB -0.394 37.841 38.460 -0.374 0.000 0.979 528 Y HN 0.177 nan 8.280 nan 0.000 0.521 529 N N -1.413 117.283 118.700 -0.007 0.000 2.216 529 N HA -0.171 4.865 4.740 0.494 0.000 0.183 529 N C 1.758 177.219 175.510 -0.083 0.000 1.017 529 N CA 0.888 53.902 53.050 -0.059 0.000 0.861 529 N CB -0.374 38.123 38.487 0.017 0.000 0.986 529 N HN 0.502 nan 8.380 nan 0.000 0.428 530 H N 0.132 119.090 119.070 -0.187 0.000 2.352 530 H HA -0.068 4.785 4.556 0.494 0.000 0.299 530 H C 1.820 177.006 175.328 -0.237 0.000 1.097 530 H CA 0.911 56.843 56.048 -0.194 0.000 1.311 530 H CB 0.254 29.906 29.762 -0.183 0.000 1.377 530 H HN 0.007 nan 8.280 nan 0.000 0.504 531 V N 1.139 120.932 119.914 -0.202 0.000 2.427 531 V HA -0.218 4.198 4.120 0.494 0.000 0.248 531 V C 2.290 178.140 176.094 -0.408 0.000 1.051 531 V CA 1.493 63.578 62.300 -0.359 0.000 1.048 531 V CB -0.257 31.367 31.823 -0.331 0.000 0.666 531 V HN 0.372 nan 8.190 nan 0.000 0.456 532 K N 0.657 120.819 120.400 -0.397 0.000 2.057 532 K HA -0.061 4.556 4.320 0.494 0.000 0.207 532 K C 2.279 178.714 176.600 -0.275 0.000 1.049 532 K CA 1.599 57.679 56.287 -0.346 0.000 0.931 532 K CB -0.955 31.368 32.500 -0.295 0.000 0.714 532 K HN 0.471 nan 8.250 nan 0.000 0.440 533 A N 1.507 124.198 122.820 -0.215 0.000 1.877 533 A HA -0.119 4.498 4.320 0.494 0.000 0.216 533 A C 2.393 179.852 177.584 -0.207 0.000 1.186 533 A CA 1.274 53.198 52.037 -0.189 0.000 0.620 533 A CB -0.715 18.235 19.000 -0.084 0.000 0.822 533 A HN 0.188 nan 8.150 nan 0.000 0.443 534 L N -0.781 120.311 121.223 -0.219 0.000 2.042 534 L HA -0.288 4.348 4.340 0.494 0.000 0.210 534 L C 2.923 179.665 176.870 -0.213 0.000 1.076 534 L CA 1.741 56.439 54.840 -0.237 0.000 0.749 534 L CB -0.643 41.219 42.059 -0.329 0.000 0.893 534 L HN 0.492 nan 8.230 nan 0.000 0.432 535 Q N -0.394 119.259 119.800 -0.246 0.000 2.061 535 Q HA -0.282 4.354 4.340 0.494 0.000 0.204 535 Q C 2.268 178.206 176.000 -0.103 0.000 0.984 535 Q CA 1.729 57.426 55.803 -0.176 0.000 0.846 535 Q CB -0.179 28.437 28.738 -0.203 0.000 0.902 535 Q HN 0.588 nan 8.270 nan 0.000 0.421 536 Q N 0.186 119.822 119.800 -0.272 0.000 2.167 536 Q HA -0.169 4.467 4.340 0.494 0.000 0.202 536 Q C 2.008 177.933 176.000 -0.125 0.000 0.970 536 Q CA 0.989 56.515 55.803 -0.462 0.000 0.855 536 Q CB 0.042 28.243 28.738 -0.895 0.000 0.911 536 Q HN 0.430 nan 8.270 nan 0.000 0.438 537 Q N -0.143 119.584 119.800 -0.123 0.000 2.172 537 Q HA -0.060 4.576 4.340 0.494 0.000 0.200 537 Q C 2.030 178.055 176.000 0.042 0.000 0.964 537 Q CA 0.928 56.699 55.803 -0.054 0.000 0.855 537 Q CB 0.034 28.705 28.738 -0.113 0.000 0.918 537 Q HN 0.488 nan 8.270 nan 0.000 0.444 538 M N -0.522 119.088 119.600 0.017 0.000 2.200 538 M HA -0.119 4.658 4.480 0.494 0.000 0.265 538 M C 1.979 178.326 176.300 0.078 0.000 1.066 538 M CA 1.191 56.505 55.300 0.023 0.000 1.127 538 M CB -0.322 32.270 32.600 -0.013 0.000 1.379 538 M HN 0.172 nan 8.290 nan 0.000 0.420 539 F N 0.476 120.432 119.950 0.009 0.000 2.134 539 F HA -0.288 4.536 4.527 0.495 0.000 0.299 539 F C 2.361 178.191 175.800 0.050 0.000 1.097 539 F CA 1.634 59.667 58.000 0.056 0.000 1.264 539 F CB -0.535 38.584 39.000 0.198 0.000 1.001 539 F HN 0.077 nan 8.300 nan 0.000 0.479 540 Y N 0.776 121.094 120.300 0.030 0.000 2.145 540 Y HA -0.216 4.631 4.550 0.495 0.000 0.286 540 Y C 2.183 177.972 175.900 -0.184 0.000 1.145 540 Y CA 2.173 60.217 58.100 -0.093 0.000 1.148 540 Y CB -0.538 37.906 38.460 -0.028 0.000 0.981 540 Y HN 0.117 nan 8.280 nan 0.000 0.507 541 I N 0.251 120.805 120.570 -0.027 0.000 2.286 541 I HA -0.286 4.180 4.170 0.494 0.000 0.248 541 I C 1.946 177.884 176.117 -0.298 0.000 1.115 541 I CA 1.906 63.110 61.300 -0.161 0.000 1.392 541 I CB -0.463 37.499 38.000 -0.063 0.000 1.065 541 I HN 0.259 nan 8.210 nan 0.000 0.418 542 D N 0.149 120.377 120.400 -0.287 0.000 2.310 542 D HA -0.167 4.769 4.640 0.494 0.000 0.212 542 D C 2.035 178.106 176.300 -0.381 0.000 0.965 542 D CA 1.020 54.834 54.000 -0.310 0.000 0.879 542 D CB 0.219 40.873 40.800 -0.243 0.000 0.921 542 D HN 0.232 nan 8.370 nan 0.000 0.510 543 Q N -1.411 118.085 119.800 -0.506 0.000 2.352 543 Q HA 0.117 4.753 4.340 0.494 0.000 0.212 543 Q C 1.597 177.341 176.000 -0.426 0.000 0.888 543 Q CA 0.909 56.413 55.803 -0.499 0.000 0.934 543 Q CB 1.001 29.336 28.738 -0.671 0.000 1.093 543 Q HN 0.472 nan 8.270 nan 0.000 0.523 544 T N -4.060 110.201 114.554 -0.488 0.000 2.955 544 T HA 0.251 4.897 4.350 0.494 0.000 0.251 544 T C 1.003 175.531 174.700 -0.286 0.000 1.002 544 T CA -0.196 61.649 62.100 -0.425 0.000 0.970 544 T CB 0.372 68.844 68.868 -0.661 0.000 1.091 544 T HN -0.148 nan 8.240 nan 0.000 0.495 545 S N 2.844 118.371 115.700 -0.289 0.000 2.585 545 S HA 0.490 5.256 4.470 0.494 0.000 0.277 545 S C 0.271 174.737 174.600 -0.222 0.000 1.241 545 S CA -0.390 57.668 58.200 -0.237 0.000 1.041 545 S CB 0.782 63.810 63.200 -0.286 0.000 0.987 545 S HN 0.626 nan 8.310 nan 0.000 0.512 546 N N 1.898 120.512 118.700 -0.143 0.000 2.714 546 N HA -0.171 4.866 4.740 0.494 0.000 0.252 546 N C -0.819 174.659 175.510 -0.052 0.000 1.014 546 N CA 0.351 53.362 53.050 -0.065 0.000 0.735 546 N CB -0.742 37.668 38.487 -0.129 0.000 0.924 546 N HN 0.451 nan 8.380 nan 0.000 0.540 547 Q N 0.824 120.586 119.800 -0.063 0.000 2.837 547 Q HA 0.134 4.770 4.340 0.494 0.000 0.235 547 Q C 0.185 176.168 176.000 -0.030 0.000 1.348 547 Q CA -0.089 55.675 55.803 -0.066 0.000 0.990 547 Q CB -0.573 28.110 28.738 -0.092 0.000 1.570 547 Q HN 0.755 nan 8.270 nan 0.000 0.575 548 N N -0.396 118.305 118.700 0.002 0.000 2.476 548 N HA 0.361 5.398 4.740 0.494 0.000 0.276 548 N C -2.113 173.343 175.510 -0.090 0.000 1.204 548 N CA -1.463 51.593 53.050 0.010 0.000 0.974 548 N CB 0.557 39.117 38.487 0.122 0.000 1.204 548 N HN -0.134 nan 8.380 nan 0.000 0.543 549 P HA -0.005 nan 4.420 nan 0.000 0.229 549 P C -0.101 176.850 177.300 -0.582 0.000 1.160 549 P CA 1.139 63.911 63.100 -0.547 0.000 0.777 549 P CB -0.041 31.104 31.700 -0.925 0.000 0.814 550 Y N -0.964 119.350 120.300 0.022 0.000 2.447 550 Y HA 0.254 5.099 4.550 0.493 0.000 0.286 550 Y C 0.809 176.730 175.900 0.034 0.000 1.153 550 Y CA 0.218 58.333 58.100 0.024 0.000 1.241 550 Y CB -0.421 38.056 38.460 0.029 0.000 1.284 550 Y HN -0.223 nan 8.280 nan 0.000 0.520 551 Q N 1.300 121.224 119.800 0.207 0.000 2.932 551 Q HA 0.317 4.953 4.340 0.494 0.000 0.248 551 Q C -2.867 173.195 176.000 0.103 0.000 0.982 551 Q CA -2.167 53.721 55.803 0.143 0.000 0.730 551 Q CB 1.445 30.285 28.738 0.170 0.000 1.249 551 Q HN 0.052 nan 8.270 nan 0.000 0.476 552 P HA 0.387 nan 4.420 nan 0.000 0.271 552 P C 0.491 177.767 177.300 -0.041 0.000 1.218 552 P CA 0.665 63.758 63.100 -0.012 0.000 0.780 552 P CB 1.333 32.998 31.700 -0.059 0.000 0.901 553 G N 0.464 109.207 108.800 -0.096 0.000 2.472 553 G HA2 0.010 4.266 3.960 0.494 0.000 0.205 553 G HA3 0.010 4.266 3.960 0.494 0.000 0.205 553 G C -1.592 173.152 174.900 -0.259 0.000 1.270 553 G CA -0.371 44.616 45.100 -0.188 0.000 0.974 553 G HN 0.537 nan 8.290 nan 0.000 0.542 554 V N 1.664 121.390 119.914 -0.313 0.000 2.559 554 V HA 0.530 4.946 4.120 0.494 0.000 0.289 554 V C -0.537 175.396 176.094 -0.267 0.000 1.036 554 V CA -1.025 60.956 62.300 -0.532 0.000 0.887 554 V CB 1.578 32.890 31.823 -0.850 0.000 1.022 554 V HN 0.768 nan 8.190 nan 0.000 0.442 555 K N 1.941 122.280 120.400 -0.103 0.000 2.203 555 K HA 0.869 5.486 4.320 0.494 0.000 0.251 555 K C -0.429 176.192 176.600 0.036 0.000 0.944 555 K CA -0.583 55.635 56.287 -0.115 0.000 0.829 555 K CB 2.620 34.903 32.500 -0.361 0.000 1.125 555 K HN 0.637 nan 8.250 nan 0.000 0.430 556 T N -0.946 113.649 114.554 0.068 0.000 2.889 556 T HA 0.437 5.083 4.350 0.494 0.000 0.315 556 T C -1.122 173.677 174.700 0.166 0.000 1.291 556 T CA 0.240 62.450 62.100 0.184 0.000 1.028 556 T CB 0.935 70.007 68.868 0.340 0.000 1.235 556 T HN 0.681 nan 8.240 nan 0.000 0.491 557 A N 1.884 124.831 122.820 0.211 0.000 2.550 557 A HA -0.171 4.445 4.320 0.494 0.000 0.298 557 A C 1.364 179.030 177.584 0.135 0.000 1.485 557 A CA 2.079 54.232 52.037 0.193 0.000 0.780 557 A CB -2.499 16.596 19.000 0.158 0.000 1.045 557 A HN 1.575 nan 8.150 nan 0.000 0.423 558 T N -2.861 111.784 114.554 0.152 0.000 3.043 558 T HA 0.020 4.666 4.350 0.494 0.000 0.263 558 T C 1.635 176.419 174.700 0.141 0.000 1.094 558 T CA 1.180 63.369 62.100 0.149 0.000 1.127 558 T CB -0.027 68.979 68.868 0.231 0.000 0.905 558 T HN 0.698 nan 8.240 nan 0.000 0.490 559 R N 0.267 120.854 120.500 0.146 0.000 2.066 559 R HA 0.147 4.783 4.340 0.494 0.000 0.224 559 R C 1.791 178.155 176.300 0.106 0.000 1.122 559 R CA 1.018 57.192 56.100 0.123 0.000 0.974 559 R CB 0.073 30.445 30.300 0.119 0.000 0.871 559 R HN 0.346 nan 8.270 nan 0.000 0.435 560 V N -0.176 119.804 119.914 0.110 0.000 2.911 560 V HA 0.036 4.453 4.120 0.494 0.000 0.237 560 V C 2.046 178.190 176.094 0.084 0.000 1.156 560 V CA 0.436 62.794 62.300 0.096 0.000 1.180 560 V CB 0.105 31.987 31.823 0.099 0.000 0.932 560 V HN 0.187 nan 8.190 nan 0.000 0.483 561 I N 0.307 120.922 120.570 0.076 0.000 2.193 561 I HA -0.153 4.313 4.170 0.494 0.000 0.240 561 I C 2.553 178.692 176.117 0.037 0.000 1.084 561 I CA 1.403 62.738 61.300 0.058 0.000 1.365 561 I CB -0.319 37.693 38.000 0.019 0.000 1.064 561 I HN 0.235 nan 8.210 nan 0.000 0.410 562 K N 1.474 121.890 120.400 0.026 0.000 2.032 562 K HA -0.149 4.467 4.320 0.494 0.000 0.209 562 K C -0.693 175.922 176.600 0.026 0.000 1.048 562 K CA 1.937 58.225 56.287 0.002 0.000 0.927 562 K CB -1.439 31.071 32.500 0.016 0.000 0.712 562 K HN 0.105 nan 8.250 nan 0.000 0.441 563 P HA -0.125 nan 4.420 nan 0.000 0.218 563 P C 1.242 178.596 177.300 0.089 0.000 1.148 563 P CA 0.906 64.050 63.100 0.073 0.000 0.822 563 P CB -0.004 31.745 31.700 0.082 0.000 0.784 564 L N -0.775 120.504 121.223 0.094 0.000 2.027 564 L HA -0.114 4.522 4.340 0.494 0.000 0.206 564 L C 2.122 179.066 176.870 0.123 0.000 1.074 564 L CA 1.818 56.734 54.840 0.126 0.000 0.745 564 L CB -1.098 41.032 42.059 0.119 0.000 0.898 564 L HN -0.144 nan 8.230 nan 0.000 0.433 565 I N -0.195 120.410 120.570 0.059 0.000 2.226 565 I HA -0.249 4.217 4.170 0.494 0.000 0.245 565 I C 1.966 178.121 176.117 0.063 0.000 1.100 565 I CA 1.275 62.579 61.300 0.008 0.000 1.374 565 I CB -0.654 37.261 38.000 -0.143 0.000 1.057 565 I HN 0.300 nan 8.210 nan 0.000 0.413 566 D N 0.826 121.260 120.400 0.056 0.000 2.097 566 D HA -0.110 4.827 4.640 0.494 0.000 0.197 566 D C 2.369 178.779 176.300 0.184 0.000 0.984 566 D CA 1.153 55.206 54.000 0.088 0.000 0.826 566 D CB -0.186 40.644 40.800 0.050 0.000 0.973 566 D HN 0.217 nan 8.370 nan 0.000 0.460 567 R N -0.004 120.592 120.500 0.161 0.000 2.081 567 R HA -0.038 4.598 4.340 0.494 0.000 0.235 567 R C 2.281 178.718 176.300 0.229 0.000 1.131 567 R CA 1.424 57.627 56.100 0.172 0.000 0.960 567 R CB -0.354 30.036 30.300 0.150 0.000 0.856 567 R HN 0.112 nan 8.270 nan 0.000 0.436 568 T N 0.729 115.451 114.554 0.280 0.000 2.788 568 T HA -0.161 4.485 4.350 0.494 0.000 0.268 568 T C 1.329 176.252 174.700 0.372 0.000 1.044 568 T CA 1.249 63.575 62.100 0.376 0.000 1.139 568 T CB -0.282 68.781 68.868 0.325 0.000 0.867 568 T HN 0.181 nan 8.240 nan 0.000 0.454 569 F N 2.277 122.315 119.950 0.147 0.000 2.075 569 F HA 0.018 4.841 4.527 0.494 0.000 0.297 569 F C 2.507 178.392 175.800 0.142 0.000 1.113 569 F CA 1.115 59.189 58.000 0.123 0.000 1.218 569 F CB -0.736 38.287 39.000 0.038 0.000 0.984 569 F HN 0.137 nan 8.300 nan 0.000 0.472 570 A N -0.496 122.455 122.820 0.218 0.000 1.908 570 A HA -0.207 4.409 4.320 0.494 0.000 0.218 570 A C 2.182 179.724 177.584 -0.071 0.000 1.181 570 A CA 2.444 54.522 52.037 0.067 0.000 0.627 570 A CB -1.471 17.603 19.000 0.123 0.000 0.818 570 A HN 0.483 nan 8.150 nan 0.000 0.445 571 T N -1.079 113.442 114.554 -0.054 0.000 2.701 571 T HA -0.104 4.543 4.350 0.494 0.000 0.263 571 T C 1.856 176.273 174.700 -0.471 0.000 1.040 571 T CA 1.462 63.369 62.100 -0.321 0.000 1.147 571 T CB -0.468 68.250 68.868 -0.250 0.000 0.865 571 T HN 0.191 nan 8.240 nan 0.000 0.426 572 V N 1.345 121.276 119.914 0.028 0.000 2.626 572 V HA -0.094 4.322 4.120 0.494 0.000 0.252 572 V C 2.387 178.626 176.094 0.242 0.000 1.067 572 V CA 1.236 63.708 62.300 0.288 0.000 1.081 572 V CB -0.378 31.842 31.823 0.663 0.000 0.686 572 V HN 0.320 nan 8.190 nan 0.000 0.468 573 V N 0.375 120.328 119.914 0.064 0.000 2.358 573 V HA -0.253 4.164 4.120 0.494 0.000 0.246 573 V C 2.446 178.583 176.094 0.070 0.000 1.047 573 V CA 2.455 64.795 62.300 0.067 0.000 1.035 573 V CB -0.749 30.953 31.823 -0.203 0.000 0.658 573 V HN 0.632 nan 8.190 nan 0.000 0.452 574 K N -0.447 119.919 120.400 -0.057 0.000 2.103 574 K HA -0.208 4.408 4.320 0.494 0.000 0.207 574 K C 2.065 178.715 176.600 0.083 0.000 1.048 574 K CA 1.840 58.100 56.287 -0.044 0.000 0.930 574 K CB -0.217 32.187 32.500 -0.160 0.000 0.716 574 K HN 0.358 nan 8.250 nan 0.000 0.444 575 F N 0.183 120.142 119.950 0.015 0.000 2.259 575 F HA -0.034 4.790 4.527 0.494 0.000 0.298 575 F C 2.072 177.854 175.800 -0.029 0.000 1.088 575 F CA 0.256 58.238 58.000 -0.031 0.000 1.358 575 F CB -0.938 38.044 39.000 -0.030 0.000 1.040 575 F HN 0.043 nan 8.300 nan 0.000 0.505 576 F N 1.287 121.271 119.950 0.057 0.000 2.128 576 F HA -0.166 4.657 4.527 0.494 0.000 0.295 576 F C 2.175 177.982 175.800 0.012 0.000 1.100 576 F CA 1.411 59.368 58.000 -0.072 0.000 1.260 576 F CB -0.498 38.193 39.000 -0.515 0.000 1.009 576 F HN -0.187 nan 8.300 nan 0.000 0.476 577 N N 0.610 119.421 118.700 0.185 0.000 2.192 577 N HA -0.203 4.834 4.740 0.494 0.000 0.188 577 N C 1.728 177.171 175.510 -0.111 0.000 1.013 577 N CA 1.550 54.612 53.050 0.021 0.000 0.863 577 N CB -0.408 38.100 38.487 0.035 0.000 0.990 577 N HN 0.562 nan 8.380 nan 0.000 0.430 578 Q N 0.189 119.944 119.800 -0.075 0.000 2.062 578 Q HA 0.002 4.638 4.340 0.494 0.000 0.196 578 Q C 1.980 177.841 176.000 -0.231 0.000 0.967 578 Q CA 0.908 56.644 55.803 -0.112 0.000 0.832 578 Q CB 0.002 28.716 28.738 -0.040 0.000 0.899 578 Q HN 0.272 nan 8.270 nan 0.000 0.442 579 K N 0.076 120.269 120.400 -0.346 0.000 2.057 579 K HA -0.102 4.514 4.320 0.494 0.000 0.206 579 K C 0.652 176.777 176.600 -0.792 0.000 1.050 579 K CA 1.116 57.031 56.287 -0.621 0.000 0.935 579 K CB 0.155 32.149 32.500 -0.842 0.000 0.715 579 K HN 0.068 nan 8.250 nan 0.000 0.439 580 F N 0.938 120.591 119.950 -0.495 0.000 2.647 580 F HA 0.225 5.049 4.527 0.494 0.000 0.300 580 F C 0.155 175.743 175.800 -0.353 0.000 1.106 580 F CA -0.458 57.248 58.000 -0.489 0.000 1.313 580 F CB -0.238 38.258 39.000 -0.840 0.000 1.007 580 F HN 0.091 nan 8.300 nan 0.000 0.536 581 N N 1.461 120.048 118.700 -0.188 0.000 2.698 581 N HA -0.225 4.811 4.740 0.494 0.000 0.258 581 N C -0.080 175.282 175.510 -0.247 0.000 0.978 581 N CA 0.385 53.321 53.050 -0.189 0.000 0.777 581 N CB -0.416 38.005 38.487 -0.110 0.000 0.907 581 N HN 0.380 nan 8.380 nan 0.000 0.543 582 A N 0.287 122.955 122.820 -0.253 0.000 2.326 582 A HA 0.615 5.231 4.320 0.494 0.000 0.303 582 A C -0.072 177.258 177.584 -0.422 0.000 1.164 582 A CA -0.262 51.663 52.037 -0.186 0.000 0.929 582 A CB 0.601 19.671 19.000 0.116 0.000 1.363 582 A HN 0.623 nan 8.150 nan 0.000 0.498 583 H N -0.732 118.394 119.070 0.093 0.000 2.767 583 H HA 0.323 5.176 4.556 0.494 0.000 0.235 583 H C -0.830 174.535 175.328 0.063 0.000 1.256 583 H CA -0.400 55.691 56.048 0.071 0.000 0.957 583 H CB 0.024 29.819 29.762 0.056 0.000 2.117 583 H HN 0.361 nan 8.280 nan 0.000 0.602 584 L N 1.182 122.463 121.223 0.096 0.000 2.514 584 L HA -0.016 4.621 4.340 0.494 0.000 0.280 584 L C 0.590 177.535 176.870 0.125 0.000 1.223 584 L CA 0.311 55.144 54.840 -0.012 0.000 0.864 584 L CB 0.373 42.239 42.059 -0.323 0.000 1.118 584 L HN 0.395 nan 8.230 nan 0.000 0.494 585 D N 1.989 122.537 120.400 0.247 0.000 2.351 585 D HA 0.269 5.205 4.640 0.494 0.000 0.251 585 D C 0.323 176.828 176.300 0.342 0.000 1.137 585 D CA -0.120 54.038 54.000 0.264 0.000 0.879 585 D CB 1.767 42.716 40.800 0.248 0.000 1.181 585 D HN 0.553 nan 8.370 nan 0.000 0.448 586 A N 3.023 125.988 122.820 0.242 0.000 2.430 586 A HA 0.194 4.811 4.320 0.494 0.000 0.243 586 A C 0.840 178.636 177.584 0.353 0.000 1.254 586 A CA -0.025 52.160 52.037 0.247 0.000 0.914 586 A CB -0.608 18.446 19.000 0.089 0.000 0.998 586 A HN 0.625 nan 8.150 nan 0.000 0.515 587 T N -1.674 113.043 114.554 0.271 0.000 2.932 587 T HA 0.255 4.902 4.350 0.494 0.000 0.312 587 T C 1.091 175.894 174.700 0.171 0.000 1.071 587 T CA 0.737 62.945 62.100 0.180 0.000 1.128 587 T CB 0.914 69.836 68.868 0.089 0.000 0.984 587 T HN 0.443 nan 8.240 nan 0.000 0.549 588 T N -2.333 112.268 114.554 0.078 0.000 2.990 588 T HA 0.186 4.833 4.350 0.494 0.000 0.249 588 T C -0.026 174.627 174.700 -0.080 0.000 1.039 588 T CA -0.250 61.825 62.100 -0.042 0.000 1.036 588 T CB 0.190 69.063 68.868 0.008 0.000 0.994 588 T HN 0.567 nan 8.240 nan 0.000 0.489 589 D N 1.810 122.197 120.400 -0.021 0.000 2.329 589 D HA 0.268 5.204 4.640 0.494 0.000 0.232 589 D C -0.930 175.350 176.300 -0.033 0.000 1.088 589 D CA -0.591 53.408 54.000 -0.001 0.000 0.835 589 D CB 0.901 41.718 40.800 0.029 0.000 1.078 589 D HN 0.306 nan 8.370 nan 0.000 0.495 590 Y N 3.005 123.215 120.300 -0.149 0.000 2.811 590 Y HA 0.118 4.964 4.550 0.493 0.000 0.334 590 Y C -0.363 175.273 175.900 -0.440 0.000 1.247 590 Y CA 0.114 58.051 58.100 -0.272 0.000 1.526 590 Y CB 0.443 38.724 38.460 -0.297 0.000 1.284 590 Y HN 0.294 nan 8.280 nan 0.000 0.586 591 M N 10.091 128.898 119.600 -1.322 0.000 2.206 591 M HA 0.367 5.144 4.480 0.494 0.000 0.272 591 M C -2.521 173.043 176.300 -1.228 0.000 1.012 591 M CA -2.310 52.344 55.300 -1.077 0.000 0.986 591 M CB 1.722 34.049 32.600 -0.455 0.000 1.740 591 M HN 0.354 nan 8.290 nan 0.000 0.472 592 P HA 0.067 nan 4.420 nan 0.000 0.231 592 P C -0.419 176.553 177.300 -0.546 0.000 1.168 592 P CA 0.877 63.473 63.100 -0.839 0.000 0.779 592 P CB 0.038 31.366 31.700 -0.620 0.000 0.844 593 H N 0.387 119.307 119.070 -0.249 0.000 2.496 593 H HA 0.463 5.315 4.556 0.494 0.000 0.342 593 H C 0.265 175.505 175.328 -0.146 0.000 1.170 593 H CA -0.276 55.681 56.048 -0.152 0.000 1.274 593 H CB 1.493 31.189 29.762 -0.111 0.000 1.538 593 H HN -0.062 nan 8.280 nan 0.000 0.542 594 K N 1.269 121.684 120.400 0.026 0.000 2.259 594 K HA 0.406 5.023 4.320 0.494 0.000 0.249 594 K C -0.156 176.445 176.600 0.002 0.000 0.942 594 K CA -0.692 55.589 56.287 -0.010 0.000 0.816 594 K CB 2.615 35.109 32.500 -0.010 0.000 1.155 594 K HN 0.353 nan 8.250 nan 0.000 0.428 605 L N 1.279 122.489 121.223 -0.022 0.000 2.418 605 L HA 0.634 5.270 4.340 0.494 0.000 0.265 605 L C -1.870 174.989 176.870 -0.018 0.000 1.143 605 L CA -1.812 53.019 54.840 -0.015 0.000 0.809 605 L CB 0.048 42.094 42.059 -0.021 0.000 1.124 605 L HN -0.008 nan 8.230 nan 0.000 0.456 606 P HA 0.194 nan 4.420 nan 0.000 0.271 606 P C -0.420 176.877 177.300 -0.004 0.000 1.220 606 P CA -0.261 62.837 63.100 -0.003 0.000 0.768 606 P CB 0.485 32.192 31.700 0.012 0.000 0.848 607 L N 3.023 124.240 121.223 -0.010 0.000 2.483 607 L HA 0.108 4.744 4.340 0.494 0.000 0.275 607 L C 0.926 177.814 176.870 0.030 0.000 1.220 607 L CA 0.438 55.281 54.840 0.006 0.000 0.833 607 L CB 0.010 42.075 42.059 0.011 0.000 1.102 607 L HN 0.404 nan 8.230 nan 0.000 0.490 608 Q N 1.052 120.883 119.800 0.052 0.000 2.423 608 Q HA 0.593 5.229 4.340 0.494 0.000 0.278 608 Q C -1.507 174.552 176.000 0.098 0.000 1.097 608 Q CA -0.786 55.062 55.803 0.076 0.000 0.809 608 Q CB 3.221 31.994 28.738 0.058 0.000 1.391 608 Q HN 0.287 nan 8.270 nan 0.000 0.428 609 V N 2.273 122.263 119.914 0.127 0.000 2.407 609 V HA 0.424 4.840 4.120 0.494 0.000 0.291 609 V C -0.974 175.137 176.094 0.028 0.000 1.018 609 V CA -0.642 61.727 62.300 0.115 0.000 0.842 609 V CB 1.556 33.520 31.823 0.235 0.000 0.996 609 V HN 0.543 nan 8.190 nan 0.000 0.426 610 K N 3.933 124.331 120.400 -0.004 0.000 2.502 610 K HA 0.782 5.398 4.320 0.494 0.000 0.254 610 K C 0.469 177.035 176.600 -0.056 0.000 0.947 610 K CA 0.236 56.501 56.287 -0.037 0.000 0.834 610 K CB 1.936 34.421 32.500 -0.024 0.000 1.112 610 K HN 0.893 nan 8.250 nan 0.000 0.427 611 A N 3.477 126.251 122.820 -0.077 0.000 5.476 611 A HA -0.339 4.277 4.320 0.494 0.000 0.327 611 A C 0.592 178.136 177.584 -0.067 0.000 1.778 611 A CA 1.796 53.785 52.037 -0.079 0.000 0.721 611 A CB -1.375 17.578 19.000 -0.080 0.000 1.388 611 A HN 0.921 nan 8.150 nan 0.000 0.397 612 N N 1.138 119.797 118.700 -0.069 0.000 2.327 612 N HA 0.226 5.263 4.740 0.494 0.000 0.231 612 N C 0.047 175.502 175.510 -0.091 0.000 1.130 612 N CA 0.313 53.315 53.050 -0.081 0.000 0.845 612 N CB -0.106 38.339 38.487 -0.069 0.000 1.073 612 N HN 0.661 nan 8.380 nan 0.000 0.496 613 R N -0.392 120.065 120.500 -0.072 0.000 2.604 613 R HA 0.631 5.267 4.340 0.494 0.000 0.287 613 R C -0.900 175.367 176.300 -0.055 0.000 0.970 613 R CA -0.878 55.181 56.100 -0.068 0.000 0.946 613 R CB 2.238 32.508 30.300 -0.052 0.000 1.127 613 R HN -0.111 nan 8.270 nan 0.000 0.473 614 V N 5.086 124.958 119.914 -0.069 0.000 2.443 614 V HA 0.390 4.807 4.120 0.494 0.000 0.293 614 V C -0.477 175.618 176.094 0.001 0.000 1.021 614 V CA -0.784 61.486 62.300 -0.050 0.000 0.848 614 V CB 1.430 33.139 31.823 -0.189 0.000 0.998 614 V HN 0.496 nan 8.190 nan 0.000 0.424 615 L N 3.593 124.837 121.223 0.036 0.000 2.371 615 L HA 0.737 5.374 4.340 0.494 0.000 0.262 615 L C -0.683 176.223 176.870 0.060 0.000 1.006 615 L CA -0.788 54.094 54.840 0.071 0.000 0.818 615 L CB 2.263 44.352 42.059 0.051 0.000 1.354 615 L HN 0.429 nan 8.230 nan 0.000 0.415 616 I N 1.767 122.380 120.570 0.073 0.000 2.441 616 I HA 0.118 4.584 4.170 0.494 0.000 0.287 616 I C 0.771 176.898 176.117 0.017 0.000 1.049 616 I CA -0.087 61.205 61.300 -0.013 0.000 1.381 616 I CB 1.516 39.420 38.000 -0.160 0.000 1.409 616 I HN 0.680 nan 8.210 nan 0.000 0.523 617 S N 7.622 123.326 115.700 0.007 0.000 2.575 617 S HA 0.064 4.831 4.470 0.494 0.000 0.295 617 S C -1.819 172.794 174.600 0.021 0.000 1.267 617 S CA -0.952 57.260 58.200 0.019 0.000 1.074 617 S CB -0.230 62.982 63.200 0.019 0.000 0.829 617 S HN 0.430 nan 8.310 nan 0.000 0.497 632 E N 0.619 120.876 120.200 0.096 0.000 2.294 632 E HA 0.579 5.226 4.350 0.494 0.000 0.272 632 E C -1.696 174.971 176.600 0.113 0.000 0.896 632 E CA -0.478 56.007 56.400 0.142 0.000 0.802 632 E CB 1.972 31.771 29.700 0.165 0.000 1.267 632 E HN 0.503 nan 8.360 nan 0.000 0.406 633 I N 3.175 123.816 120.570 0.118 0.000 2.499 633 I HA 0.271 4.737 4.170 0.494 0.000 0.296 633 I C 0.128 176.268 176.117 0.039 0.000 0.992 633 I CA -0.372 60.964 61.300 0.060 0.000 1.297 633 I CB 1.472 39.501 38.000 0.048 0.000 1.410 633 I HN 0.557 nan 8.210 nan 0.000 0.507 634 E N 6.832 126.995 120.200 -0.062 0.000 2.216 634 E HA 0.435 5.082 4.350 0.494 0.000 0.260 634 E C -1.434 175.040 176.600 -0.210 0.000 0.880 634 E CA -0.627 55.592 56.400 -0.302 0.000 0.765 634 E CB 1.379 30.868 29.700 -0.352 0.000 1.174 634 E HN 0.502 nan 8.360 nan 0.000 0.417 635 L N 3.041 124.124 121.223 -0.234 0.000 2.466 635 L HA 0.173 4.809 4.340 0.494 0.000 0.257 635 L C 1.245 178.170 176.870 0.092 0.000 1.189 635 L CA -0.467 54.355 54.840 -0.031 0.000 0.813 635 L CB 0.560 42.582 42.059 -0.062 0.000 1.118 635 L HN 0.697 nan 8.230 nan 0.000 0.471 636 D N -0.404 120.203 120.400 0.346 0.000 2.363 636 D HA 0.203 5.140 4.640 0.494 0.000 0.226 636 D C 0.112 176.494 176.300 0.136 0.000 1.020 636 D CA 0.416 54.519 54.000 0.170 0.000 0.892 636 D CB 0.343 41.215 40.800 0.120 0.000 0.900 636 D HN 0.522 nan 8.370 nan 0.000 0.531 637 A N -0.647 122.277 122.820 0.173 0.000 2.515 637 A HA 0.523 5.139 4.320 0.494 0.000 0.292 637 A C -1.495 176.049 177.584 -0.067 0.000 1.065 637 A CA -0.965 51.061 52.037 -0.018 0.000 0.641 637 A CB 0.202 19.090 19.000 -0.186 0.000 1.306 637 A HN 0.084 nan 8.150 nan 0.000 0.441 638 I N 0.926 121.372 120.570 -0.206 0.000 2.395 638 I HA 0.473 4.939 4.170 0.494 0.000 0.289 638 I C -0.991 174.930 176.117 -0.328 0.000 1.023 638 I CA 0.007 61.233 61.300 -0.123 0.000 1.350 638 I CB 0.528 38.495 38.000 -0.056 0.000 1.409 638 I HN 0.565 nan 8.210 nan 0.000 0.507 639 Y N 5.646 125.950 120.300 0.006 0.000 2.545 639 Y HA 0.418 5.265 4.550 0.494 0.000 0.348 639 Y C -2.394 173.509 175.900 0.005 0.000 1.002 639 Y CA -2.891 55.213 58.100 0.006 0.000 1.039 639 Y CB 1.436 39.894 38.460 -0.002 0.000 1.271 639 Y HN 0.378 nan 8.280 nan 0.000 0.467 640 P HA 0.063 nan 4.420 nan 0.000 0.266 640 P C -0.034 177.318 177.300 0.087 0.000 1.215 640 P CA 0.116 63.273 63.100 0.094 0.000 0.763 640 P CB 0.451 32.193 31.700 0.071 0.000 0.806 641 G N 2.533 111.369 108.800 0.059 0.000 2.415 641 G HA2 0.161 4.417 3.960 0.494 0.000 0.269 641 G HA3 0.161 4.417 3.960 0.494 0.000 0.269 641 G C 0.397 175.304 174.900 0.013 0.000 1.209 641 G CA -0.109 45.010 45.100 0.031 0.000 0.835 641 G HN 0.398 nan 8.290 nan 0.000 0.534 642 E N 0.155 120.351 120.200 -0.007 0.000 2.280 642 E HA 0.170 4.816 4.350 0.494 0.000 0.197 642 E C 0.707 177.292 176.600 -0.026 0.000 0.913 642 E CA 0.516 56.907 56.400 -0.014 0.000 0.995 642 E CB 0.485 30.172 29.700 -0.022 0.000 0.991 642 E HN 0.822 nan 8.360 nan 0.000 0.484 643 N N -1.340 117.335 118.700 -0.041 0.000 3.127 643 N HA 0.309 5.346 4.740 0.494 0.000 0.239 643 N C -1.534 173.926 175.510 -0.083 0.000 1.407 643 N CA -0.735 52.282 53.050 -0.055 0.000 0.891 643 N CB 1.148 39.602 38.487 -0.055 0.000 1.447 643 N HN -0.143 nan 8.380 nan 0.000 0.507 644 I N 0.283 120.790 120.570 -0.106 0.000 2.436 644 I HA 0.299 4.765 4.170 0.494 0.000 0.289 644 I C -0.909 175.086 176.117 -0.203 0.000 1.010 644 I CA -0.582 60.612 61.300 -0.177 0.000 1.098 644 I CB 1.859 39.737 38.000 -0.204 0.000 1.266 644 I HN 0.502 nan 8.210 nan 0.000 0.434 645 Q N 6.664 126.320 119.800 -0.239 0.000 2.381 645 Q HA 0.615 5.252 4.340 0.494 0.000 0.263 645 Q C -0.981 174.816 176.000 -0.338 0.000 1.030 645 Q CA -0.389 55.277 55.803 -0.229 0.000 0.772 645 Q CB 2.749 31.393 28.738 -0.157 0.000 1.232 645 Q HN 0.568 nan 8.270 nan 0.000 0.476 646 I N 1.776 122.104 120.570 -0.403 0.000 2.562 646 I HA 0.413 4.879 4.170 0.494 0.000 0.301 646 I C -0.541 175.283 176.117 -0.489 0.000 1.003 646 I CA -0.823 60.136 61.300 -0.569 0.000 1.127 646 I CB 2.058 39.568 38.000 -0.817 0.000 1.304 646 I HN 0.519 nan 8.210 nan 0.000 0.446 647 N N 3.505 121.887 118.700 -0.530 0.000 2.371 647 N HA 0.585 5.621 4.740 0.494 0.000 0.291 647 N C -1.470 173.833 175.510 -0.345 0.000 1.053 647 N CA -0.365 52.470 53.050 -0.357 0.000 0.870 647 N CB 1.483 39.873 38.487 -0.162 0.000 1.503 647 N HN 0.232 nan 8.380 nan 0.000 0.485 684 L N 0.019 121.235 121.223 -0.010 0.000 2.640 684 L HA 0.168 4.804 4.340 0.494 0.000 0.230 684 L C 1.266 178.140 176.870 0.006 0.000 1.123 684 L CA 0.050 54.890 54.840 0.000 0.000 0.900 684 L CB 0.041 42.102 42.059 0.004 0.000 1.146 684 L HN 0.755 nan 8.230 nan 0.000 0.484 685 Q N 0.969 120.771 119.800 0.003 0.000 2.435 685 Q HA -0.233 4.403 4.340 0.494 0.000 0.286 685 Q C 0.191 176.198 176.000 0.011 0.000 1.229 685 Q CA 0.459 56.266 55.803 0.006 0.000 0.884 685 Q CB -1.036 27.706 28.738 0.006 0.000 1.245 685 Q HN 0.270 nan 8.270 nan 0.000 0.488 686 K N -4.564 115.844 120.400 0.014 0.000 3.274 686 K HA -0.239 4.377 4.320 0.494 0.000 0.300 686 K C 0.095 176.711 176.600 0.028 0.000 1.230 686 K CA 1.101 57.401 56.287 0.022 0.000 0.884 686 K CB -2.225 30.287 32.500 0.020 0.000 1.242 686 K HN 0.631 nan 8.250 nan 0.000 0.467 687 A N 1.696 124.533 122.820 0.027 0.000 2.511 687 A HA 0.329 4.945 4.320 0.494 0.000 0.242 687 A C -1.923 175.688 177.584 0.045 0.000 1.069 687 A CA -0.626 51.430 52.037 0.032 0.000 0.763 687 A CB -0.072 18.946 19.000 0.031 0.000 1.001 687 A HN -0.060 nan 8.150 nan 0.000 0.498 688 P HA 0.210 nan 4.420 nan 0.000 0.265 688 P C -0.586 176.760 177.300 0.077 0.000 1.187 688 P CA 0.296 63.430 63.100 0.056 0.000 0.766 688 P CB 0.640 32.367 31.700 0.045 0.000 0.820 689 V N 3.243 123.216 119.914 0.098 0.000 2.891 689 V HA 0.393 4.810 4.120 0.494 0.000 0.304 689 V C 0.210 176.380 176.094 0.126 0.000 1.171 689 V CA -0.340 62.029 62.300 0.115 0.000 0.943 689 V CB 2.009 33.887 31.823 0.093 0.000 1.037 689 V HN 0.624 nan 8.190 nan 0.000 0.427 690 K N 4.546 125.022 120.400 0.126 0.000 2.556 690 K HA 0.434 5.051 4.320 0.494 0.000 0.201 690 K C -0.525 175.964 176.600 -0.185 0.000 1.423 690 K CA 0.086 56.367 56.287 -0.009 0.000 1.010 690 K CB 0.516 33.007 32.500 -0.015 0.000 1.409 690 K HN 0.475 nan 8.250 nan 0.000 0.538 691 F N 1.096 121.084 119.950 0.062 0.000 2.492 691 F HA 0.549 5.373 4.527 0.494 0.000 0.327 691 F C -0.673 175.168 175.800 0.069 0.000 1.079 691 F CA -1.145 56.891 58.000 0.061 0.000 0.967 691 F CB 2.356 41.390 39.000 0.057 0.000 1.169 691 F HN -0.375 nan 8.300 nan 0.000 0.472 692 V N 2.900 122.975 119.914 0.269 0.000 2.498 692 V HA 0.373 4.790 4.120 0.494 0.000 0.283 692 V C -0.442 175.810 176.094 0.262 0.000 1.015 692 V CA -0.673 61.765 62.300 0.229 0.000 0.867 692 V CB 1.441 33.381 31.823 0.194 0.000 1.025 692 V HN 0.737 nan 8.190 nan 0.000 0.441 693 R N 3.166 123.811 120.500 0.242 0.000 2.536 693 R HA 0.700 5.337 4.340 0.494 0.000 0.279 693 R C -1.252 175.248 176.300 0.334 0.000 1.001 693 R CA -0.278 55.968 56.100 0.243 0.000 1.027 693 R CB 1.445 31.837 30.300 0.153 0.000 1.096 693 R HN 0.450 nan 8.270 nan 0.000 0.502 709 F N 4.058 123.920 119.950 -0.147 0.000 3.483 709 F HA 0.444 5.267 4.527 0.494 0.000 0.402 709 F C -2.070 173.657 175.800 -0.122 0.000 1.202 709 F CA -0.321 57.575 58.000 -0.174 0.000 1.337 709 F CB 1.202 40.108 39.000 -0.157 0.000 2.157 709 F HN 0.359 nan 8.300 nan 0.000 0.723 710 V N 5.602 125.423 119.914 -0.155 0.000 2.444 710 V HA 0.438 4.854 4.120 0.494 0.000 0.294 710 V C -0.724 175.287 176.094 -0.138 0.000 1.022 710 V CA -0.784 61.467 62.300 -0.081 0.000 0.850 710 V CB 1.675 33.450 31.823 -0.079 0.000 0.992 710 V HN 0.491 nan 8.190 nan 0.000 0.426 711 L N 5.094 126.270 121.223 -0.077 0.000 2.275 711 L HA 0.681 5.317 4.340 0.494 0.000 0.288 711 L C 0.268 177.082 176.870 -0.094 0.000 1.046 711 L CA 0.777 55.562 54.840 -0.092 0.000 0.805 711 L CB 1.541 43.558 42.059 -0.070 0.000 1.193 711 L HN 0.729 nan 8.230 nan 0.000 0.426 712 T N 6.788 121.288 114.554 -0.089 0.000 2.829 712 T HA 0.651 5.297 4.350 0.494 0.000 0.282 712 T C -0.030 174.623 174.700 -0.077 0.000 0.990 712 T CA -0.258 61.792 62.100 -0.083 0.000 1.028 712 T CB 0.853 69.680 68.868 -0.069 0.000 0.951 712 T HN 0.613 nan 8.240 nan 0.000 0.460 713 I N -0.800 119.715 120.570 -0.093 0.000 3.108 713 I HA 0.660 5.126 4.170 0.494 0.000 0.312 713 I C -0.330 175.769 176.117 -0.031 0.000 1.095 713 I CA -1.270 59.991 61.300 -0.065 0.000 1.000 713 I CB 2.100 40.011 38.000 -0.148 0.000 1.229 713 I HN 0.429 nan 8.210 nan 0.000 0.454 714 E N 3.055 123.277 120.200 0.036 0.000 2.152 714 E HA 0.281 4.927 4.350 0.494 0.000 0.285 714 E C -1.026 175.638 176.600 0.107 0.000 1.043 714 E CA -0.349 56.085 56.400 0.055 0.000 0.839 714 E CB 1.058 30.798 29.700 0.066 0.000 1.069 714 E HN 0.484 nan 8.360 nan 0.000 0.399 715 K N 0.000 120.439 120.400 0.065 0.000 2.780 715 K HA 0.000 4.616 4.320 0.494 0.000 0.191 715 K CA 0.000 56.347 56.287 0.100 0.000 0.838 715 K CB 0.000 32.513 32.500 0.022 0.000 1.064 715 K HN 0.000 nan 8.250 nan 0.000 0.543