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 2cho_1_B DATA FIRST_RESID 5 DATA SEQUENCE LQPPPQQLIV QNKTIDLPAV YQLNGGEEAN PHAVKVLKEL LXXXXXXXXG 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 XXXXRLSAGL QKAPVKFVRF XXXXXXXXXX DATA SEQUENCE XXXXFVLTIE 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 0.000 176.822 176.870 -0.079 0.000 1.165 5 L CA 0.000 54.805 54.840 -0.058 0.000 0.813 5 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 6 Q N 2.477 122.192 119.800 -0.143 0.000 2.274 6 Q HA 0.468 4.808 4.340 -0.000 0.000 0.268 6 Q C -2.590 173.164 176.000 -0.410 0.000 1.015 6 Q CA -1.749 53.911 55.803 -0.239 0.000 0.775 6 Q CB 3.002 31.601 28.738 -0.232 0.000 1.256 6 Q HN 0.202 nan 8.270 nan 0.000 0.442 7 P HA 0.103 nan 4.420 nan 0.000 0.269 7 P C -2.441 174.724 177.300 -0.225 0.000 1.215 7 P CA -0.959 61.944 63.100 -0.329 0.000 0.780 7 P CB -0.088 31.341 31.700 -0.451 0.000 0.898 8 P HA 0.150 nan 4.420 nan 0.000 0.271 8 P C -2.488 174.819 177.300 0.013 0.000 1.220 8 P CA -1.496 61.587 63.100 -0.027 0.000 0.768 8 P CB -0.608 31.098 31.700 0.010 0.000 0.848 9 P HA 0.064 nan 4.420 nan 0.000 0.272 9 P C 1.093 178.379 177.300 -0.024 0.000 1.230 9 P CA -0.027 63.095 63.100 0.036 0.000 0.788 9 P CB 0.648 32.355 31.700 0.013 0.000 0.949 10 Q N 0.084 119.809 119.800 -0.125 0.000 2.084 10 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 10 Q C 0.796 176.721 176.000 -0.125 0.000 0.978 10 Q CA 1.669 57.319 55.803 -0.254 0.000 0.844 10 Q CB 0.038 28.389 28.738 -0.645 0.000 0.898 10 Q HN 0.599 nan 8.270 nan 0.000 0.426 11 Q N -0.462 119.290 119.800 -0.079 0.000 2.305 11 Q HA 0.546 4.885 4.340 -0.000 0.000 0.271 11 Q C -1.910 174.092 176.000 0.002 0.000 1.046 11 Q CA -0.274 55.517 55.803 -0.019 0.000 0.798 11 Q CB 1.654 30.400 28.738 0.013 0.000 1.286 11 Q HN 0.176 nan 8.270 nan 0.000 0.435 12 L N 6.117 127.347 121.223 0.011 0.000 2.439 12 L HA 0.584 4.924 4.340 -0.000 0.000 0.270 12 L C -1.651 175.233 176.870 0.024 0.000 0.972 12 L CA -0.669 54.182 54.840 0.018 0.000 0.836 12 L CB 1.586 43.650 42.059 0.008 0.000 1.255 12 L HN 0.744 nan 8.230 nan 0.000 0.404 13 I N 5.478 126.068 120.570 0.033 0.000 2.389 13 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 13 I C -0.505 175.628 176.117 0.026 0.000 0.999 13 I CA -0.705 60.614 61.300 0.032 0.000 1.129 13 I CB 2.148 40.175 38.000 0.045 0.000 1.288 13 I HN 0.268 nan 8.210 nan 0.000 0.444 14 V N 6.541 126.466 119.914 0.018 0.000 2.555 14 V HA 0.333 4.453 4.120 -0.000 0.000 0.302 14 V C 0.138 176.240 176.094 0.013 0.000 1.038 14 V CA -0.079 62.228 62.300 0.012 0.000 0.887 14 V CB 2.032 33.858 31.823 0.004 0.000 0.991 14 V HN 0.821 nan 8.190 nan 0.000 0.434 15 Q N 3.752 123.560 119.800 0.012 0.000 2.247 15 Q HA 0.302 4.642 4.340 -0.000 0.000 0.204 15 Q C 0.608 176.613 176.000 0.009 0.000 0.872 15 Q CA 0.488 56.299 55.803 0.014 0.000 0.951 15 Q CB -0.270 28.479 28.738 0.018 0.000 1.099 15 Q HN 0.950 nan 8.270 nan 0.000 0.501 16 N N 1.464 120.167 118.700 0.005 0.000 2.667 16 N HA -0.235 4.505 4.740 -0.000 0.000 0.263 16 N C -1.505 174.007 175.510 0.002 0.000 1.038 16 N CA 0.844 53.896 53.050 0.002 0.000 0.749 16 N CB -0.585 37.904 38.487 0.003 0.000 0.892 16 N HN 0.197 nan 8.380 nan 0.000 0.546 17 K N 0.477 120.878 120.400 0.000 0.000 2.578 17 K HA 0.211 4.531 4.320 -0.000 0.000 0.263 17 K C -1.065 175.534 176.600 -0.002 0.000 0.973 17 K CA -0.262 56.027 56.287 0.002 0.000 0.909 17 K CB 0.730 33.235 32.500 0.008 0.000 1.326 17 K HN 0.339 nan 8.250 nan 0.000 0.440 18 T N 1.283 115.834 114.554 -0.005 0.000 2.895 18 T HA 0.753 5.103 4.350 -0.000 0.000 0.283 18 T C 0.402 175.099 174.700 -0.005 0.000 1.014 18 T CA -0.847 61.247 62.100 -0.010 0.000 1.037 18 T CB 1.073 69.930 68.868 -0.017 0.000 1.006 18 T HN 0.541 nan 8.240 nan 0.000 0.468 19 I N -1.228 119.338 120.570 -0.006 0.000 3.170 19 I HA 0.717 4.887 4.170 -0.000 0.000 0.312 19 I C -1.263 174.851 176.117 -0.005 0.000 1.085 19 I CA -1.264 60.037 61.300 0.002 0.000 0.999 19 I CB 2.109 40.117 38.000 0.014 0.000 1.233 19 I HN 0.418 nan 8.210 nan 0.000 0.467 20 D N 3.013 123.415 120.400 0.004 0.000 2.175 20 D HA 0.324 4.964 4.640 -0.000 0.000 0.248 20 D C -0.189 176.118 176.300 0.012 0.000 1.047 20 D CA -0.322 53.678 54.000 0.001 0.000 0.883 20 D CB 2.494 43.299 40.800 0.008 0.000 1.180 20 D HN 0.489 nan 8.370 nan 0.000 0.438 21 L N 3.433 124.655 121.223 -0.001 0.000 2.628 21 L HA 0.020 4.360 4.340 -0.000 0.000 0.274 21 L C -1.789 175.108 176.870 0.044 0.000 1.209 21 L CA -0.856 53.994 54.840 0.017 0.000 0.930 21 L CB 0.242 42.294 42.059 -0.010 0.000 1.183 21 L HN 0.089 nan 8.230 nan 0.000 0.492 22 P HA -0.042 nan 4.420 nan 0.000 0.261 22 P C 0.178 177.565 177.300 0.144 0.000 1.183 22 P CA 0.058 63.225 63.100 0.112 0.000 0.761 22 P CB 0.861 32.661 31.700 0.167 0.000 0.785 23 A N 4.253 127.136 122.820 0.104 0.000 1.933 23 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 23 A C 0.927 178.585 177.584 0.123 0.000 1.175 23 A CA 1.372 53.468 52.037 0.099 0.000 0.628 23 A CB -0.258 18.776 19.000 0.056 0.000 0.814 23 A HN 0.455 nan 8.150 nan 0.000 0.444 24 V N -0.238 119.742 119.914 0.110 0.000 2.588 24 V HA 0.559 4.679 4.120 -0.000 0.000 0.304 24 V C -0.832 175.324 176.094 0.103 0.000 1.042 24 V CA -0.696 61.628 62.300 0.041 0.000 0.877 24 V CB 1.166 32.981 31.823 -0.014 0.000 0.996 24 V HN 0.509 nan 8.190 nan 0.000 0.425 25 Y N 1.424 121.732 120.300 0.014 0.000 2.588 25 Y HA 0.753 5.303 4.550 -0.000 0.000 0.343 25 Y C -0.699 175.207 175.900 0.010 0.000 1.065 25 Y CA -1.259 56.849 58.100 0.014 0.000 1.038 25 Y CB 1.887 40.356 38.460 0.015 0.000 1.297 25 Y HN 0.574 nan 8.280 nan 0.000 0.467 26 Q N 3.453 123.340 119.800 0.146 0.000 2.348 26 Q HA 0.433 4.773 4.340 -0.000 0.000 0.265 26 Q C -1.833 174.288 176.000 0.202 0.000 0.998 26 Q CA -0.800 55.053 55.803 0.082 0.000 0.831 26 Q CB 1.419 30.186 28.738 0.048 0.000 1.251 26 Q HN 0.925 nan 8.270 nan 0.000 0.456 27 L N 4.706 126.054 121.223 0.209 0.000 2.265 27 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 27 L C -1.097 175.828 176.870 0.091 0.000 1.058 27 L CA -0.157 54.792 54.840 0.182 0.000 0.809 27 L CB 0.955 43.153 42.059 0.231 0.000 1.179 27 L HN 0.733 nan 8.230 nan 0.000 0.429 28 N N 3.089 121.829 118.700 0.068 0.000 2.443 28 N HA 0.541 5.281 4.740 -0.000 0.000 0.269 28 N C 0.383 175.918 175.510 0.041 0.000 0.985 28 N CA 0.560 53.642 53.050 0.054 0.000 0.921 28 N CB 1.482 40.007 38.487 0.063 0.000 1.195 28 N HN 0.789 nan 8.380 nan 0.000 0.492 29 G N 1.803 110.624 108.800 0.034 0.000 2.179 29 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.220 29 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.220 29 G C 1.006 175.915 174.900 0.015 0.000 0.990 29 G CA 0.232 45.347 45.100 0.025 0.000 0.646 29 G HN 0.851 nan 8.290 nan 0.000 0.517 30 G N 0.327 109.139 108.800 0.019 0.000 2.475 30 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.220 30 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.220 30 G C 1.345 176.250 174.900 0.008 0.000 1.125 30 G CA 1.672 46.782 45.100 0.015 0.000 0.755 30 G HN 0.499 nan 8.290 nan 0.000 0.565 31 E N 0.298 120.503 120.200 0.009 0.000 2.230 31 E HA 0.022 4.371 4.350 -0.000 0.000 0.192 31 E C 2.125 178.723 176.600 -0.004 0.000 0.987 31 E CA 0.751 57.152 56.400 0.003 0.000 0.841 31 E CB 0.112 29.815 29.700 0.005 0.000 0.783 31 E HN 0.493 nan 8.360 nan 0.000 0.481 32 E N 0.093 120.292 120.200 -0.001 0.000 2.447 32 E HA 0.225 4.575 4.350 -0.000 0.000 0.204 32 E C 0.370 176.965 176.600 -0.008 0.000 0.977 32 E CA 0.215 56.613 56.400 -0.004 0.000 0.950 32 E CB 0.525 30.228 29.700 0.005 0.000 0.975 32 E HN 0.104 nan 8.360 nan 0.000 0.496 33 A N 1.359 124.175 122.820 -0.008 0.000 2.313 33 A HA 0.201 4.521 4.320 -0.000 0.000 0.261 33 A C 0.338 177.902 177.584 -0.034 0.000 1.090 33 A CA -0.522 51.508 52.037 -0.012 0.000 0.807 33 A CB 0.067 19.062 19.000 -0.008 0.000 1.055 33 A HN 0.125 nan 8.150 nan 0.000 0.492 34 N N 0.871 119.549 118.700 -0.037 0.000 2.256 34 N HA -0.017 4.723 4.740 -0.000 0.000 0.277 34 N C -1.753 173.705 175.510 -0.087 0.000 1.362 34 N CA -1.105 51.897 53.050 -0.080 0.000 0.861 34 N CB 0.538 39.005 38.487 -0.034 0.000 1.136 34 N HN 0.176 nan 8.380 nan 0.000 0.492 35 P HA -0.125 nan 4.420 nan 0.000 0.218 35 P C 0.517 177.813 177.300 -0.008 0.000 1.148 35 P CA 1.493 64.528 63.100 -0.108 0.000 0.822 35 P CB 0.030 31.634 31.700 -0.159 0.000 0.784 36 H N -0.684 118.399 119.070 0.022 0.000 2.353 36 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 36 H C 2.031 177.475 175.328 0.193 0.000 1.090 36 H CA 0.922 57.011 56.048 0.069 0.000 1.327 36 H CB -0.357 29.371 29.762 -0.056 0.000 1.383 36 H HN 0.098 nan 8.280 nan 0.000 0.508 37 A N 0.709 123.702 122.820 0.289 0.000 1.897 37 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 37 A C 2.575 180.195 177.584 0.061 0.000 1.181 37 A CA 1.162 53.312 52.037 0.187 0.000 0.620 37 A CB -0.680 18.386 19.000 0.109 0.000 0.821 37 A HN 0.201 nan 8.150 nan 0.000 0.443 38 V N 0.404 120.343 119.914 0.042 0.000 2.332 38 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 38 V C 2.522 178.634 176.094 0.029 0.000 1.055 38 V CA 2.452 64.760 62.300 0.012 0.000 1.038 38 V CB -0.699 31.129 31.823 0.008 0.000 0.651 38 V HN 0.663 nan 8.190 nan 0.000 0.450 39 K N -0.117 120.322 120.400 0.065 0.000 2.032 39 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 39 K C 2.063 178.695 176.600 0.052 0.000 1.048 39 K CA 1.819 58.146 56.287 0.067 0.000 0.927 39 K CB -0.250 32.311 32.500 0.101 0.000 0.712 39 K HN 0.341 nan 8.250 nan 0.000 0.441 40 V N 1.534 121.484 119.914 0.060 0.000 2.287 40 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 40 V C 2.292 178.389 176.094 0.004 0.000 1.053 40 V CA 1.667 63.980 62.300 0.022 0.000 1.027 40 V CB -0.524 31.284 31.823 -0.025 0.000 0.646 40 V HN 0.365 nan 8.190 nan 0.000 0.447 41 L N 0.272 121.484 121.223 -0.018 0.000 1.989 41 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 41 L C 2.409 179.254 176.870 -0.042 0.000 1.071 41 L CA 2.046 56.856 54.840 -0.051 0.000 0.749 41 L CB -0.799 41.192 42.059 -0.114 0.000 0.890 41 L HN 0.220 nan 8.230 nan 0.000 0.431 42 K N -0.611 119.778 120.400 -0.020 0.000 2.097 42 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 42 K C 1.949 178.557 176.600 0.013 0.000 1.049 42 K CA 1.715 58.004 56.287 0.003 0.000 0.933 42 K CB -0.144 32.375 32.500 0.031 0.000 0.717 42 K HN 0.499 nan 8.250 nan 0.000 0.442 43 E N 0.835 121.044 120.200 0.014 0.000 2.051 43 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 43 E C 1.939 178.543 176.600 0.007 0.000 0.991 43 E CA 0.973 57.381 56.400 0.014 0.000 0.799 43 E CB -0.088 29.620 29.700 0.014 0.000 0.748 43 E HN 0.228 nan 8.360 nan 0.000 0.449 44 L N 1.091 122.318 121.223 0.007 0.000 2.275 44 L HA -0.013 4.327 4.340 -0.000 0.000 0.215 44 L C 1.372 178.239 176.870 -0.005 0.000 1.119 44 L CA 0.413 55.258 54.840 0.008 0.000 0.790 44 L CB -0.345 41.750 42.059 0.059 0.000 0.919 44 L HN 0.211 nan 8.230 nan 0.000 0.443 55 M N 0.854 120.506 119.600 0.085 0.000 2.261 55 M HA 0.251 4.731 4.480 -0.000 0.000 0.350 55 M C -0.243 176.124 176.300 0.113 0.000 1.343 55 M CA -0.318 55.038 55.300 0.093 0.000 1.003 55 M CB 0.338 32.997 32.600 0.097 0.000 1.848 55 M HN 0.524 nan 8.290 nan 0.000 0.456 56 L N 7.258 128.533 121.223 0.086 0.000 2.367 56 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 56 L C -1.018 175.892 176.870 0.066 0.000 1.129 56 L CA 0.457 55.349 54.840 0.086 0.000 0.839 56 L CB 0.442 42.548 42.059 0.079 0.000 1.133 56 L HN 0.609 nan 8.230 nan 0.000 0.453 57 I N 4.308 124.915 120.570 0.062 0.000 2.410 57 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 57 I C -0.365 175.744 176.117 -0.012 0.000 1.009 57 I CA -0.324 60.965 61.300 -0.019 0.000 1.111 57 I CB 1.511 39.461 38.000 -0.082 0.000 1.262 57 I HN 0.512 nan 8.210 nan 0.000 0.443 58 S N 7.146 122.826 115.700 -0.033 0.000 2.433 58 S HA 0.602 5.072 4.470 -0.000 0.000 0.310 58 S C -0.453 174.117 174.600 -0.050 0.000 1.097 58 S CA -0.477 57.727 58.200 0.006 0.000 1.103 58 S CB 1.517 64.775 63.200 0.097 0.000 0.992 58 S HN 0.488 nan 8.310 nan 0.000 0.469 59 I N 2.731 123.283 120.570 -0.031 0.000 2.509 59 I HA 0.826 4.996 4.170 -0.000 0.000 0.293 59 I C 0.034 176.152 176.117 0.001 0.000 1.020 59 I CA 0.068 61.338 61.300 -0.049 0.000 1.088 59 I CB 1.561 39.512 38.000 -0.082 0.000 1.267 59 I HN 0.803 nan 8.210 nan 0.000 0.430 60 G N 5.126 113.934 108.800 0.014 0.000 2.313 60 G HA2 0.260 4.220 3.960 -0.000 0.000 0.296 60 G HA3 0.260 4.220 3.960 -0.000 0.000 0.296 60 G C -1.976 172.957 174.900 0.056 0.000 1.356 60 G CA -0.778 44.343 45.100 0.036 0.000 0.833 60 G HN 0.510 nan 8.290 nan 0.000 0.552 61 E N -0.110 120.122 120.200 0.054 0.000 2.283 61 E HA 0.412 4.762 4.350 -0.000 0.000 0.267 61 E C 1.479 178.124 176.600 0.075 0.000 1.045 61 E CA -0.458 55.982 56.400 0.066 0.000 0.884 61 E CB 1.456 31.184 29.700 0.046 0.000 1.106 61 E HN 0.664 nan 8.360 nan 0.000 0.408 62 K N 0.260 120.709 120.400 0.082 0.000 2.160 62 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 62 K C 1.407 178.041 176.600 0.057 0.000 1.047 62 K CA 1.710 58.046 56.287 0.081 0.000 0.930 62 K CB -0.245 32.296 32.500 0.068 0.000 0.720 62 K HN 0.499 nan 8.250 nan 0.000 0.450 63 G N 0.988 109.813 108.800 0.042 0.000 2.712 63 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.212 63 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.212 63 G C -0.335 174.582 174.900 0.028 0.000 1.142 63 G CA -0.146 44.971 45.100 0.028 0.000 0.789 63 G HN 0.247 nan 8.290 nan 0.000 0.535 64 D N 0.137 120.560 120.400 0.038 0.000 2.341 64 D HA 0.198 4.838 4.640 -0.000 0.000 0.245 64 D C 1.254 177.578 176.300 0.039 0.000 1.106 64 D CA -0.247 53.774 54.000 0.035 0.000 0.905 64 D CB 1.278 42.102 40.800 0.040 0.000 1.202 64 D HN -0.066 nan 8.370 nan 0.000 0.426 65 K N 0.617 121.035 120.400 0.029 0.000 2.089 65 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 65 K C 1.941 178.566 176.600 0.042 0.000 1.048 65 K CA 1.691 57.994 56.287 0.026 0.000 0.926 65 K CB -0.109 32.403 32.500 0.020 0.000 0.714 65 K HN 0.476 nan 8.250 nan 0.000 0.448 66 S N 0.363 116.098 115.700 0.057 0.000 2.383 66 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 66 S C 1.842 176.533 174.600 0.152 0.000 1.030 66 S CA 1.543 59.794 58.200 0.086 0.000 1.002 66 S CB -0.369 62.874 63.200 0.072 0.000 0.829 66 S HN 0.239 nan 8.310 nan 0.000 0.467 67 V N -2.902 117.110 119.914 0.164 0.000 3.337 67 V HA 0.485 4.605 4.120 -0.000 0.000 0.307 67 V C 1.735 177.957 176.094 0.213 0.000 1.505 67 V CA -0.141 62.347 62.300 0.313 0.000 1.072 67 V CB -0.492 31.499 31.823 0.279 0.000 0.929 67 V HN 0.282 nan 8.190 nan 0.000 0.455 68 R N 2.592 123.140 120.500 0.081 0.000 2.117 68 R HA -0.178 4.162 4.340 -0.000 0.000 0.243 68 R C 2.284 178.562 176.300 -0.037 0.000 1.143 68 R CA 2.343 58.459 56.100 0.027 0.000 0.968 68 R CB -0.115 30.187 30.300 0.003 0.000 0.863 68 R HN 0.810 nan 8.270 nan 0.000 0.444 69 K N -1.007 119.302 120.400 -0.151 0.000 2.362 69 K HA -0.151 4.169 4.320 -0.000 0.000 0.200 69 K C 0.488 176.852 176.600 -0.394 0.000 1.046 69 K CA 1.273 57.381 56.287 -0.298 0.000 0.952 69 K CB -0.032 32.221 32.500 -0.411 0.000 0.753 69 K HN 0.283 nan 8.250 nan 0.000 0.466 70 Y N 1.507 121.817 120.300 0.016 0.000 2.470 70 Y HA 0.224 4.774 4.550 -0.000 0.000 0.284 70 Y C 1.821 177.682 175.900 -0.065 0.000 1.188 70 Y CA -0.311 57.778 58.100 -0.019 0.000 1.269 70 Y CB 0.401 38.908 38.460 0.078 0.000 1.094 70 Y HN 0.060 nan 8.280 nan 0.000 0.518 71 S N 0.069 115.796 115.700 0.045 0.000 2.419 71 S HA -0.188 4.281 4.470 -0.000 0.000 0.235 71 S C 2.035 176.625 174.600 -0.016 0.000 1.019 71 S CA 1.206 59.421 58.200 0.024 0.000 0.982 71 S CB -0.137 63.066 63.200 0.005 0.000 0.789 71 S HN 0.532 nan 8.310 nan 0.000 0.490 72 R N 0.599 121.073 120.500 -0.044 0.000 2.235 72 R HA 0.078 4.418 4.340 -0.000 0.000 0.213 72 R C 1.923 178.159 176.300 -0.107 0.000 1.059 72 R CA 0.669 56.732 56.100 -0.063 0.000 0.997 72 R CB -0.026 30.240 30.300 -0.058 0.000 0.884 72 R HN 0.363 nan 8.270 nan 0.000 0.462 73 Q N 0.136 119.820 119.800 -0.193 0.000 2.402 73 Q HA 0.129 4.469 4.340 -0.000 0.000 0.206 73 Q C 0.535 176.386 176.000 -0.250 0.000 0.919 73 Q CA 0.478 56.030 55.803 -0.419 0.000 0.923 73 Q CB 0.494 28.528 28.738 -1.173 0.000 1.048 73 Q HN 0.325 nan 8.270 nan 0.000 0.515 74 I N 3.802 124.330 120.570 -0.070 0.000 2.379 74 I HA 0.104 4.273 4.170 -0.000 0.000 0.290 74 I C -2.102 174.056 176.117 0.068 0.000 1.063 74 I CA -1.915 59.433 61.300 0.080 0.000 1.351 74 I CB 0.659 38.731 38.000 0.121 0.000 1.410 74 I HN -0.203 nan 8.210 nan 0.000 0.505 75 P HA -0.061 nan 4.420 nan 0.000 0.265 75 P C -0.455 176.872 177.300 0.045 0.000 1.193 75 P CA -0.031 63.145 63.100 0.127 0.000 0.765 75 P CB 0.406 32.259 31.700 0.255 0.000 0.823 76 D N 2.829 123.158 120.400 -0.119 0.000 2.713 76 D HA 0.078 4.718 4.640 -0.000 0.000 0.229 76 D C -0.767 175.225 176.300 -0.513 0.000 1.136 76 D CA 0.036 53.887 54.000 -0.248 0.000 1.010 76 D CB -0.927 39.716 40.800 -0.262 0.000 1.084 76 D HN 0.370 nan 8.370 nan 0.000 0.495 77 H N -0.117 118.857 119.070 -0.160 0.000 2.894 77 H HA 0.287 4.843 4.556 -0.000 0.000 0.367 77 H C -0.252 175.035 175.328 -0.067 0.000 1.144 77 H CA -0.938 54.992 56.048 -0.198 0.000 1.180 77 H CB 1.242 30.748 29.762 -0.426 0.000 1.758 77 H HN -0.106 nan 8.280 nan 0.000 0.541 78 K N 2.194 122.628 120.400 0.057 0.000 2.511 78 K HA -0.078 4.242 4.320 -0.000 0.000 0.280 78 K C 0.017 176.695 176.600 0.131 0.000 1.008 78 K CA 0.739 57.066 56.287 0.067 0.000 1.050 78 K CB 0.215 32.726 32.500 0.018 0.000 0.889 78 K HN 0.812 nan 8.250 nan 0.000 0.484 79 E N -1.042 119.273 120.200 0.192 0.000 3.496 79 E HA -0.184 4.165 4.350 -0.000 0.000 0.300 79 E C 0.404 177.303 176.600 0.499 0.000 0.877 79 E CA 0.544 57.151 56.400 0.346 0.000 1.050 79 E CB -1.475 28.499 29.700 0.455 0.000 1.532 79 E HN 0.835 nan 8.360 nan 0.000 0.447 80 G N 0.192 109.209 108.800 0.362 0.000 2.537 80 G HA2 0.493 4.452 3.960 -0.000 0.000 0.273 80 G HA3 0.493 4.452 3.960 -0.000 0.000 0.273 80 G C -0.397 174.761 174.900 0.431 0.000 1.189 80 G CA 0.136 45.458 45.100 0.371 0.000 0.881 80 G HN 0.244 nan 8.290 nan 0.000 0.535 81 Y N -1.476 119.016 120.300 0.321 0.000 2.656 81 Y HA 0.649 5.199 4.550 -0.000 0.000 0.334 81 Y C -1.903 174.169 175.900 0.288 0.000 1.179 81 Y CA -2.142 56.114 58.100 0.260 0.000 1.050 81 Y CB 1.408 39.999 38.460 0.218 0.000 1.308 81 Y HN 0.647 nan 8.280 nan 0.000 0.456 82 Y N 3.301 123.753 120.300 0.254 0.000 2.376 82 Y HA 0.746 5.296 4.550 -0.000 0.000 0.340 82 Y C -1.853 174.171 175.900 0.207 0.000 0.965 82 Y CA -1.965 56.224 58.100 0.149 0.000 1.078 82 Y CB 1.781 40.292 38.460 0.085 0.000 1.193 82 Y HN 0.977 nan 8.280 nan 0.000 0.452 83 L N 5.639 126.676 121.223 -0.311 0.000 2.385 83 L HA 0.751 5.091 4.340 -0.000 0.000 0.273 83 L C -1.343 175.162 176.870 -0.610 0.000 0.990 83 L CA -0.297 54.336 54.840 -0.345 0.000 0.821 83 L CB 1.760 43.837 42.059 0.030 0.000 1.279 83 L HN 0.676 nan 8.230 nan 0.000 0.412 84 S N 3.546 118.906 115.700 -0.567 0.000 2.571 84 S HA 0.777 5.247 4.470 -0.000 0.000 0.284 84 S C -1.441 173.059 174.600 -0.167 0.000 1.128 84 S CA -0.460 57.513 58.200 -0.378 0.000 0.970 84 S CB 1.800 64.752 63.200 -0.413 0.000 1.039 84 S HN 0.426 nan 8.310 nan 0.000 0.485 85 V N 5.756 125.633 119.914 -0.061 0.000 2.443 85 V HA 0.578 4.698 4.120 -0.000 0.000 0.293 85 V C -0.537 175.563 176.094 0.009 0.000 1.021 85 V CA -0.775 61.528 62.300 0.004 0.000 0.848 85 V CB 1.267 33.123 31.823 0.055 0.000 0.998 85 V HN 0.975 nan 8.190 nan 0.000 0.424 86 N N 2.540 121.251 118.700 0.018 0.000 3.102 86 N HA 0.404 5.144 4.740 -0.000 0.000 0.299 86 N C 0.550 176.079 175.510 0.033 0.000 1.482 86 N CA -0.930 52.137 53.050 0.028 0.000 0.785 86 N CB 0.814 39.324 38.487 0.038 0.000 1.680 86 N HN 0.268 nan 8.380 nan 0.000 0.594 87 E N -0.099 120.121 120.200 0.033 0.000 2.110 87 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 87 E C 0.988 177.611 176.600 0.039 0.000 0.988 87 E CA 1.149 57.569 56.400 0.033 0.000 0.804 87 E CB 0.006 29.724 29.700 0.030 0.000 0.745 87 E HN 0.701 nan 8.360 nan 0.000 0.458 88 K N 1.249 121.675 120.400 0.044 0.000 2.076 88 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 88 K C 0.698 177.331 176.600 0.055 0.000 1.051 88 K CA 1.064 57.382 56.287 0.051 0.000 0.949 88 K CB 0.400 32.935 32.500 0.059 0.000 0.726 88 K HN 0.192 nan 8.250 nan 0.000 0.443 89 E N -0.787 119.443 120.200 0.050 0.000 2.422 89 E HA 0.297 4.647 4.350 -0.000 0.000 0.280 89 E C -1.252 175.351 176.600 0.005 0.000 1.091 89 E CA -0.860 55.564 56.400 0.041 0.000 0.849 89 E CB 0.913 30.652 29.700 0.065 0.000 1.353 89 E HN 0.000 nan 8.360 nan 0.000 0.449 90 I N 1.289 121.842 120.570 -0.029 0.000 2.433 90 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 90 I C -0.925 175.084 176.117 -0.181 0.000 1.001 90 I CA -1.218 60.023 61.300 -0.098 0.000 1.119 90 I CB 2.010 39.950 38.000 -0.101 0.000 1.289 90 I HN 0.303 nan 8.210 nan 0.000 0.438 91 V N 7.471 127.218 119.914 -0.278 0.000 2.495 91 V HA 0.460 4.580 4.120 -0.000 0.000 0.298 91 V C -0.279 175.611 176.094 -0.340 0.000 1.031 91 V CA -0.516 61.564 62.300 -0.367 0.000 0.871 91 V CB 1.890 33.338 31.823 -0.625 0.000 0.988 91 V HN 0.469 nan 8.190 nan 0.000 0.432 92 L N 4.749 125.820 121.223 -0.253 0.000 2.417 92 L HA 0.762 5.102 4.340 -0.000 0.000 0.259 92 L C -0.007 176.821 176.870 -0.071 0.000 1.023 92 L CA -0.263 54.453 54.840 -0.206 0.000 0.901 92 L CB 1.412 43.287 42.059 -0.307 0.000 1.227 92 L HN 0.720 nan 8.230 nan 0.000 0.454 93 A N 1.838 124.682 122.820 0.040 0.000 2.310 93 A HA 0.787 5.107 4.320 -0.000 0.000 0.304 93 A C 0.236 177.955 177.584 0.225 0.000 1.231 93 A CA -0.378 51.743 52.037 0.141 0.000 0.799 93 A CB 1.043 20.170 19.000 0.212 0.000 1.162 93 A HN 0.586 nan 8.150 nan 0.000 0.486 94 G N 0.816 109.722 108.800 0.177 0.000 2.420 94 G HA2 0.341 4.301 3.960 -0.000 0.000 0.284 94 G HA3 0.341 4.301 3.960 -0.000 0.000 0.284 94 G C 0.614 175.621 174.900 0.179 0.000 1.177 94 G CA -0.280 44.947 45.100 0.213 0.000 0.841 94 G HN 0.757 nan 8.290 nan 0.000 0.527 95 N N -0.090 118.725 118.700 0.192 0.000 2.244 95 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 95 N C 0.230 175.797 175.510 0.095 0.000 1.016 95 N CA 1.653 54.781 53.050 0.130 0.000 0.866 95 N CB 0.173 38.736 38.487 0.126 0.000 0.980 95 N HN 0.730 nan 8.380 nan 0.000 0.430 96 D N -2.876 117.585 120.400 0.102 0.000 2.677 96 D HA 0.157 4.797 4.640 -0.000 0.000 0.298 96 D C 0.124 176.456 176.300 0.053 0.000 1.250 96 D CA -0.648 53.392 54.000 0.065 0.000 0.888 96 D CB 0.203 41.038 40.800 0.059 0.000 1.397 96 D HN -0.094 nan 8.370 nan 0.000 0.461 97 E N -0.708 119.506 120.200 0.022 0.000 2.110 97 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 97 E C 1.747 178.336 176.600 -0.019 0.000 0.988 97 E CA 0.853 57.253 56.400 0.000 0.000 0.804 97 E CB 0.079 29.763 29.700 -0.027 0.000 0.745 97 E HN 0.330 nan 8.360 nan 0.000 0.458 98 R N 0.286 120.753 120.500 -0.054 0.000 2.092 98 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 98 R C 2.403 178.554 176.300 -0.249 0.000 1.119 98 R CA 1.336 57.307 56.100 -0.215 0.000 0.970 98 R CB -0.371 29.800 30.300 -0.215 0.000 0.864 98 R HN 0.206 nan 8.270 nan 0.000 0.440 99 G N -0.561 108.258 108.800 0.031 0.000 2.440 99 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 99 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 99 G C 1.274 176.271 174.900 0.161 0.000 1.154 99 G CA 1.409 46.660 45.100 0.253 0.000 0.767 99 G HN 0.359 nan 8.290 nan 0.000 0.552 100 T N -0.186 114.415 114.554 0.079 0.000 2.746 100 T HA -0.188 4.161 4.350 -0.000 0.000 0.267 100 T C 1.998 176.687 174.700 -0.018 0.000 1.039 100 T CA 1.322 63.437 62.100 0.026 0.000 1.142 100 T CB -0.372 68.514 68.868 0.030 0.000 0.866 100 T HN 0.347 nan 8.240 nan 0.000 0.444 101 Y N 0.933 121.153 120.300 -0.134 0.000 2.165 101 Y HA -0.216 4.334 4.550 -0.000 0.000 0.286 101 Y C 2.090 177.950 175.900 -0.066 0.000 1.155 101 Y CA 1.122 59.151 58.100 -0.118 0.000 1.164 101 Y CB -0.472 37.892 38.460 -0.161 0.000 0.978 101 Y HN 0.187 nan 8.280 nan 0.000 0.513 102 Y N -0.481 119.770 120.300 -0.082 0.000 2.293 102 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 102 Y C 2.622 178.056 175.900 -0.777 0.000 1.137 102 Y CA 0.412 58.327 58.100 -0.308 0.000 1.202 102 Y CB -1.496 36.965 38.460 0.003 0.000 0.990 102 Y HN 0.234 nan 8.280 nan 0.000 0.537 103 A N 0.067 122.385 122.820 -0.836 0.000 1.908 103 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 103 A C 2.297 179.605 177.584 -0.460 0.000 1.181 103 A CA 1.620 53.039 52.037 -1.031 0.000 0.627 103 A CB -1.129 17.553 19.000 -0.529 0.000 0.818 103 A HN 0.402 nan 8.150 nan 0.000 0.445 104 L N -0.503 120.519 121.223 -0.335 0.000 2.083 104 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 104 L C 2.752 179.504 176.870 -0.197 0.000 1.083 104 L CA 1.365 56.072 54.840 -0.221 0.000 0.752 104 L CB -0.338 41.586 42.059 -0.225 0.000 0.899 104 L HN 0.343 nan 8.230 nan 0.000 0.433 105 Q N -0.929 118.678 119.800 -0.321 0.000 2.167 105 Q HA -0.129 4.210 4.340 -0.000 0.000 0.202 105 Q C 2.264 178.132 176.000 -0.221 0.000 0.970 105 Q CA 1.806 57.438 55.803 -0.286 0.000 0.855 105 Q CB -0.614 27.929 28.738 -0.326 0.000 0.911 105 Q HN 0.482 nan 8.270 nan 0.000 0.438 106 T N 1.015 115.436 114.554 -0.223 0.000 2.770 106 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 106 T C 1.486 176.154 174.700 -0.053 0.000 1.039 106 T CA 0.822 62.842 62.100 -0.133 0.000 1.142 106 T CB -0.418 68.412 68.868 -0.064 0.000 0.868 106 T HN 0.199 nan 8.240 nan 0.000 0.435 107 F N 2.433 122.271 119.950 -0.187 0.000 2.120 107 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 107 F C 2.453 178.172 175.800 -0.136 0.000 1.095 107 F CA 1.101 59.010 58.000 -0.152 0.000 1.249 107 F CB -0.703 38.196 39.000 -0.168 0.000 0.995 107 F HN 0.150 nan 8.300 nan 0.000 0.480 108 A N -0.408 122.362 122.820 -0.083 0.000 1.978 108 A HA -0.256 4.063 4.320 -0.000 0.000 0.220 108 A C 2.102 179.574 177.584 -0.188 0.000 1.170 108 A CA 1.935 53.878 52.037 -0.156 0.000 0.636 108 A CB -0.771 18.170 19.000 -0.099 0.000 0.810 108 A HN 0.633 nan 8.150 nan 0.000 0.448 109 Q N -0.675 119.027 119.800 -0.163 0.000 2.245 109 Q HA 0.084 4.424 4.340 -0.000 0.000 0.201 109 Q C 1.906 177.812 176.000 -0.157 0.000 0.955 109 Q CA 0.844 56.564 55.803 -0.138 0.000 0.870 109 Q CB -0.201 28.469 28.738 -0.114 0.000 0.945 109 Q HN 0.674 nan 8.270 nan 0.000 0.461 110 L N 0.355 121.453 121.223 -0.209 0.000 2.141 110 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 110 L C 0.764 177.477 176.870 -0.262 0.000 1.094 110 L CA 0.006 54.715 54.840 -0.219 0.000 0.763 110 L CB -0.134 41.783 42.059 -0.238 0.000 0.908 110 L HN 0.227 nan 8.230 nan 0.000 0.437 111 L N 1.716 122.728 121.223 -0.351 0.000 2.385 111 L HA 0.206 4.546 4.340 -0.000 0.000 0.281 111 L C -0.380 176.374 176.870 -0.193 0.000 1.106 111 L CA 0.611 55.254 54.840 -0.329 0.000 0.856 111 L CB -0.182 41.624 42.059 -0.420 0.000 1.186 111 L HN -0.066 nan 8.230 nan 0.000 0.453 112 K N 4.381 124.693 120.400 -0.146 0.000 2.541 112 K HA 0.267 4.587 4.320 -0.000 0.000 0.250 112 K C -0.830 175.724 176.600 -0.077 0.000 0.950 112 K CA -0.606 55.622 56.287 -0.098 0.000 0.805 112 K CB 1.716 34.166 32.500 -0.083 0.000 1.166 112 K HN 0.529 nan 8.250 nan 0.000 0.430 113 D N 1.709 122.072 120.400 -0.063 0.000 2.689 113 D HA -0.186 4.454 4.640 -0.000 0.000 0.237 113 D C 0.824 177.095 176.300 -0.047 0.000 1.148 113 D CA 1.896 55.867 54.000 -0.047 0.000 0.656 113 D CB -1.063 39.715 40.800 -0.038 0.000 1.050 113 D HN 1.055 nan 8.370 nan 0.000 0.426 114 G N -0.775 107.991 108.800 -0.058 0.000 2.166 114 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 114 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 114 G C 0.300 175.166 174.900 -0.056 0.000 0.986 114 G CA 1.053 46.122 45.100 -0.052 0.000 0.683 114 G HN 0.547 nan 8.290 nan 0.000 0.527 115 K N -0.958 119.399 120.400 -0.072 0.000 2.340 115 K HA 0.840 5.160 4.320 -0.000 0.000 0.244 115 K C -0.340 176.198 176.600 -0.104 0.000 0.973 115 K CA -0.891 55.355 56.287 -0.068 0.000 0.828 115 K CB 2.022 34.493 32.500 -0.048 0.000 1.226 115 K HN 0.101 nan 8.250 nan 0.000 0.437 116 L N 2.576 123.745 121.223 -0.089 0.000 2.408 116 L HA 0.519 4.859 4.340 -0.000 0.000 0.268 116 L C -2.400 174.434 176.870 -0.061 0.000 0.986 116 L CA -2.189 52.585 54.840 -0.109 0.000 0.820 116 L CB 2.306 44.303 42.059 -0.104 0.000 1.303 116 L HN 0.459 nan 8.230 nan 0.000 0.411 117 P HA 0.080 nan 4.420 nan 0.000 0.277 117 P C -1.052 176.238 177.300 -0.016 0.000 1.240 117 P CA -0.419 62.661 63.100 -0.033 0.000 0.798 117 P CB 1.002 32.681 31.700 -0.034 0.000 0.979 118 E N 1.328 121.525 120.200 -0.005 0.000 2.180 118 E HA 0.352 4.702 4.350 -0.000 0.000 0.283 118 E C -0.468 176.136 176.600 0.006 0.000 1.061 118 E CA -0.523 55.880 56.400 0.006 0.000 0.861 118 E CB 0.136 29.843 29.700 0.011 0.000 1.056 118 E HN 0.319 nan 8.360 nan 0.000 0.407 119 V N 1.070 120.988 119.914 0.006 0.000 3.120 119 V HA 0.577 4.697 4.120 -0.000 0.000 0.303 119 V C -1.092 175.002 176.094 -0.000 0.000 1.238 119 V CA -1.020 61.284 62.300 0.007 0.000 1.008 119 V CB 1.891 33.716 31.823 0.003 0.000 1.064 119 V HN 0.726 nan 8.190 nan 0.000 0.434 120 E N 2.372 122.583 120.200 0.019 0.000 2.224 120 E HA 0.724 5.074 4.350 -0.000 0.000 0.265 120 E C -1.798 174.832 176.600 0.049 0.000 0.878 120 E CA -0.830 55.587 56.400 0.028 0.000 0.759 120 E CB 2.192 31.964 29.700 0.121 0.000 1.164 120 E HN 0.827 nan 8.360 nan 0.000 0.414 121 I N 3.948 124.533 120.570 0.024 0.000 2.466 121 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 121 I C -0.709 175.464 176.117 0.094 0.000 1.026 121 I CA -0.787 60.544 61.300 0.051 0.000 1.078 121 I CB 1.998 40.039 38.000 0.068 0.000 1.249 121 I HN 0.328 nan 8.210 nan 0.000 0.429 122 K N 4.422 124.863 120.400 0.069 0.000 2.413 122 K HA 0.553 4.873 4.320 -0.000 0.000 0.257 122 K C -1.471 175.073 176.600 -0.093 0.000 0.946 122 K CA -0.730 55.593 56.287 0.060 0.000 0.823 122 K CB 2.045 34.633 32.500 0.147 0.000 1.109 122 K HN 0.373 nan 8.250 nan 0.000 0.427 123 D N 1.847 122.084 120.400 -0.273 0.000 2.661 123 D HA 0.501 5.141 4.640 -0.000 0.000 0.228 123 D C -1.728 174.498 176.300 -0.123 0.000 1.183 123 D CA -0.279 53.511 54.000 -0.349 0.000 0.844 123 D CB 1.289 41.764 40.800 -0.542 0.000 1.555 123 D HN 0.406 nan 8.370 nan 0.000 0.453 124 Y N -1.527 118.696 120.300 -0.129 0.000 2.687 124 Y HA 0.543 5.093 4.550 -0.000 0.000 0.338 124 Y C -3.120 172.055 175.900 -1.209 0.000 1.189 124 Y CA -1.870 55.994 58.100 -0.393 0.000 1.097 124 Y CB 0.696 38.940 38.460 -0.361 0.000 1.342 124 Y HN 0.063 nan 8.280 nan 0.000 0.461 125 P HA 0.265 nan 4.420 nan 0.000 0.282 125 P C -0.207 176.673 177.300 -0.699 0.000 1.249 125 P CA -0.240 61.871 63.100 -1.648 0.000 0.806 125 P CB 2.165 33.179 31.700 -1.142 0.000 0.984 126 S N 0.560 115.893 115.700 -0.612 0.000 2.446 126 S HA 0.068 4.538 4.470 -0.000 0.000 0.225 126 S C 0.903 175.344 174.600 -0.265 0.000 1.016 126 S CA 0.349 58.345 58.200 -0.341 0.000 0.943 126 S CB 0.025 63.026 63.200 -0.331 0.000 0.786 126 S HN 0.328 nan 8.310 nan 0.000 0.508 127 V N 1.543 121.286 119.914 -0.286 0.000 2.555 127 V HA 0.385 4.504 4.120 -0.000 0.000 0.302 127 V C 0.986 176.963 176.094 -0.195 0.000 1.038 127 V CA -0.819 61.359 62.300 -0.202 0.000 0.887 127 V CB 1.919 33.633 31.823 -0.181 0.000 0.991 127 V HN 0.131 nan 8.190 nan 0.000 0.434 128 R N 2.709 123.083 120.500 -0.210 0.000 2.073 128 R HA 0.003 4.343 4.340 -0.000 0.000 0.229 128 R C -0.409 175.620 176.300 -0.450 0.000 1.120 128 R CA 1.308 57.190 56.100 -0.363 0.000 0.967 128 R CB 0.133 30.142 30.300 -0.486 0.000 0.862 128 R HN 0.633 nan 8.270 nan 0.000 0.436 129 Y N 0.035 120.316 120.300 -0.032 0.000 2.350 129 Y HA 0.477 5.027 4.550 -0.000 0.000 0.338 129 Y C -0.657 175.221 175.900 -0.038 0.000 0.961 129 Y CA -0.919 57.175 58.100 -0.010 0.000 1.100 129 Y CB 1.867 40.303 38.460 -0.039 0.000 1.179 129 Y HN -0.103 nan 8.280 nan 0.000 0.454 130 R N 1.863 122.487 120.500 0.207 0.000 2.533 130 R HA 0.795 5.134 4.340 -0.000 0.000 0.288 130 R C -0.293 176.093 176.300 0.143 0.000 1.039 130 R CA -0.816 55.380 56.100 0.160 0.000 0.909 130 R CB 2.269 32.650 30.300 0.135 0.000 1.195 130 R HN 0.906 nan 8.270 nan 0.000 0.438 131 G N 0.720 109.586 108.800 0.110 0.000 2.441 131 G HA2 0.320 4.280 3.960 -0.000 0.000 0.225 131 G HA3 0.320 4.280 3.960 -0.000 0.000 0.225 131 G C -1.824 173.041 174.900 -0.059 0.000 1.200 131 G CA -0.470 44.615 45.100 -0.025 0.000 0.947 131 G HN 0.307 nan 8.290 nan 0.000 0.484 132 V N 0.027 119.854 119.914 -0.145 0.000 2.656 132 V HA 0.685 4.805 4.120 -0.000 0.000 0.307 132 V C -0.542 175.438 176.094 -0.190 0.000 1.051 132 V CA -0.774 61.468 62.300 -0.096 0.000 0.893 132 V CB 1.616 33.454 31.823 0.025 0.000 0.999 132 V HN 1.044 nan 8.190 nan 0.000 0.426 133 V N 4.444 124.136 119.914 -0.371 0.000 2.328 133 V HA 0.437 4.557 4.120 -0.000 0.000 0.278 133 V C 0.315 176.014 176.094 -0.658 0.000 1.021 133 V CA -0.252 61.668 62.300 -0.634 0.000 0.838 133 V CB 1.362 32.559 31.823 -1.044 0.000 0.999 133 V HN 1.024 nan 8.190 nan 0.000 0.447 134 E N 4.973 124.736 120.200 -0.728 0.000 1.791 134 E HA 0.340 4.690 4.350 -0.000 0.000 0.263 134 E C 0.789 176.762 176.600 -1.045 0.000 1.213 134 E CA 0.417 56.264 56.400 -0.922 0.000 0.991 134 E CB 0.231 29.358 29.700 -0.954 0.000 1.068 134 E HN 0.922 nan 8.360 nan 0.000 0.417 135 G N 4.193 112.457 108.800 -0.893 0.000 3.829 135 G HA2 0.103 4.063 3.960 -0.000 0.000 0.279 135 G HA3 0.103 4.063 3.960 -0.000 0.000 0.279 135 G C -0.189 174.416 174.900 -0.492 0.000 1.008 135 G CA -0.387 44.332 45.100 -0.634 0.000 0.840 135 G HN 0.427 nan 8.290 nan 0.000 0.474 136 F N -0.650 119.055 119.950 -0.409 0.000 2.375 136 F HA 0.815 5.342 4.527 -0.000 0.000 0.317 136 F C -0.331 175.236 175.800 -0.388 0.000 1.124 136 F CA -2.763 55.050 58.000 -0.312 0.000 1.050 136 F CB 0.405 39.263 39.000 -0.235 0.000 1.314 136 F HN -0.065 nan 8.300 nan 0.000 0.511 137 Y N 0.370 120.773 120.300 0.171 0.000 2.320 137 Y HA 0.594 5.144 4.550 -0.000 0.000 0.324 137 Y C 0.834 176.869 175.900 0.225 0.000 1.190 137 Y CA 0.232 58.387 58.100 0.092 0.000 1.215 137 Y CB 1.153 39.605 38.460 -0.013 0.000 1.221 137 Y HN 1.085 nan 8.280 nan 0.000 0.486 138 G N 0.206 109.200 108.800 0.324 0.000 2.343 138 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.562 138 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.562 138 G C -1.093 173.963 174.900 0.260 0.000 1.269 138 G CA -1.153 44.112 45.100 0.274 0.000 1.011 138 G HN 0.511 nan 8.290 nan 0.000 0.498 139 T N 3.604 118.293 114.554 0.225 0.000 2.765 139 T HA 0.446 4.796 4.350 -0.000 0.000 0.284 139 T C -1.895 172.983 174.700 0.297 0.000 0.946 139 T CA 0.198 62.427 62.100 0.215 0.000 1.185 139 T CB 0.711 69.687 68.868 0.180 0.000 0.887 139 T HN 0.473 nan 8.240 nan 0.000 0.532 140 P HA 0.033 nan 4.420 nan 0.000 0.268 140 P C -0.021 177.490 177.300 0.352 0.000 1.208 140 P CA -0.588 62.602 63.100 0.151 0.000 0.777 140 P CB 0.403 32.122 31.700 0.032 0.000 0.875 141 W N 1.419 122.852 121.300 0.222 0.000 2.209 141 W HA 0.063 4.723 4.660 -0.000 0.000 0.344 141 W C 1.063 177.676 176.519 0.155 0.000 1.285 141 W CA -0.216 57.238 57.345 0.182 0.000 1.267 141 W CB -0.868 28.702 29.460 0.183 0.000 1.167 141 W HN 0.342 nan 8.180 nan 0.000 0.574 142 S N 1.008 116.900 115.700 0.320 0.000 2.600 142 S HA -0.012 4.458 4.470 -0.000 0.000 0.265 142 S C 1.020 175.759 174.600 0.233 0.000 1.325 142 S CA 0.059 58.402 58.200 0.237 0.000 1.002 142 S CB 0.925 64.215 63.200 0.149 0.000 0.921 142 S HN 0.565 nan 8.310 nan 0.000 0.554 143 H N 0.931 120.079 119.070 0.129 0.000 2.352 143 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 143 H C 2.063 177.416 175.328 0.041 0.000 1.097 143 H CA 2.388 58.495 56.048 0.099 0.000 1.311 143 H CB -0.103 29.701 29.762 0.069 0.000 1.377 143 H HN 0.570 nan 8.280 nan 0.000 0.504 144 Q N -0.004 119.814 119.800 0.029 0.000 2.124 144 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 144 Q C 2.563 178.482 176.000 -0.135 0.000 0.977 144 Q CA 1.225 56.988 55.803 -0.068 0.000 0.850 144 Q CB -0.669 28.059 28.738 -0.016 0.000 0.901 144 Q HN 0.624 nan 8.270 nan 0.000 0.429 145 A N 1.151 123.903 122.820 -0.113 0.000 1.902 145 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 145 A C 2.171 179.591 177.584 -0.273 0.000 1.181 145 A CA 1.429 53.328 52.037 -0.231 0.000 0.623 145 A CB -0.413 18.435 19.000 -0.254 0.000 0.818 145 A HN 0.274 nan 8.150 nan 0.000 0.443 146 R N -0.641 119.779 120.500 -0.132 0.000 2.092 146 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 146 R C 2.043 178.183 176.300 -0.267 0.000 1.119 146 R CA 1.268 57.297 56.100 -0.119 0.000 0.970 146 R CB -0.487 29.852 30.300 0.065 0.000 0.864 146 R HN 0.500 nan 8.270 nan 0.000 0.440 147 L N -0.082 120.967 121.223 -0.290 0.000 2.017 147 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 147 L C 2.665 179.392 176.870 -0.238 0.000 1.073 147 L CA 1.311 55.990 54.840 -0.269 0.000 0.745 147 L CB -0.537 41.362 42.059 -0.266 0.000 0.894 147 L HN 0.200 nan 8.230 nan 0.000 0.432 148 S N -0.940 114.617 115.700 -0.239 0.000 2.370 148 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 148 S C 2.060 176.485 174.600 -0.292 0.000 1.033 148 S CA 1.243 59.305 58.200 -0.230 0.000 1.011 148 S CB -0.079 62.977 63.200 -0.241 0.000 0.852 148 S HN 0.371 nan 8.310 nan 0.000 0.457 149 Q N 0.670 120.212 119.800 -0.430 0.000 2.050 149 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 149 Q C 2.373 177.786 176.000 -0.979 0.000 0.980 149 Q CA 1.386 56.790 55.803 -0.665 0.000 0.840 149 Q CB -0.707 27.635 28.738 -0.661 0.000 0.898 149 Q HN 0.559 nan 8.270 nan 0.000 0.424 150 L N 0.831 121.636 121.223 -0.696 0.000 2.042 150 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 150 L C 2.462 179.206 176.870 -0.209 0.000 1.076 150 L CA 1.153 55.708 54.840 -0.474 0.000 0.749 150 L CB -0.428 41.489 42.059 -0.237 0.000 0.893 150 L HN 0.125 nan 8.230 nan 0.000 0.432 151 K N -0.501 119.811 120.400 -0.146 0.000 2.057 151 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 151 K C 2.091 178.734 176.600 0.071 0.000 1.050 151 K CA 1.402 57.679 56.287 -0.016 0.000 0.935 151 K CB -0.589 31.899 32.500 -0.019 0.000 0.715 151 K HN 0.161 nan 8.250 nan 0.000 0.439 152 F N 1.231 121.105 119.950 -0.126 0.000 2.171 152 F HA -0.234 4.293 4.527 0.000 0.000 0.300 152 F C 1.977 177.869 175.800 0.153 0.000 1.090 152 F CA 1.290 59.284 58.000 -0.010 0.000 1.293 152 F CB -0.167 38.806 39.000 -0.045 0.000 1.013 152 F HN -0.027 nan 8.300 nan 0.000 0.486 153 Y N 0.160 120.552 120.300 0.154 0.000 2.163 153 Y HA -0.017 4.533 4.550 -0.000 0.000 0.288 153 Y C 2.786 178.727 175.900 0.067 0.000 1.136 153 Y CA 0.576 58.734 58.100 0.097 0.000 1.147 153 Y CB -1.689 36.871 38.460 0.167 0.000 0.987 153 Y HN 0.072 nan 8.280 nan 0.000 0.509 154 G N 0.148 109.121 108.800 0.289 0.000 2.469 154 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 154 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 154 G C 1.782 176.801 174.900 0.198 0.000 1.150 154 G CA 1.140 46.456 45.100 0.359 0.000 0.763 154 G HN 0.344 nan 8.290 nan 0.000 0.561 155 K N 0.115 120.522 120.400 0.012 0.000 2.148 155 K HA 0.000 4.320 4.320 -0.000 0.000 0.204 155 K C 1.345 177.783 176.600 -0.270 0.000 1.050 155 K CA 0.841 57.042 56.287 -0.143 0.000 0.942 155 K CB 0.005 32.407 32.500 -0.164 0.000 0.724 155 K HN 0.215 nan 8.250 nan 0.000 0.446 156 N N 0.755 119.269 118.700 -0.309 0.000 2.238 156 N HA 0.053 4.793 4.740 -0.000 0.000 0.222 156 N C -0.745 174.538 175.510 -0.379 0.000 1.133 156 N CA 0.172 52.972 53.050 -0.416 0.000 0.854 156 N CB 0.825 39.011 38.487 -0.502 0.000 1.041 156 N HN 0.073 nan 8.380 nan 0.000 0.510 157 K N 0.008 120.200 120.400 -0.346 0.000 3.160 157 K HA -0.174 4.146 4.320 -0.000 0.000 0.280 157 K C -0.310 176.203 176.600 -0.145 0.000 1.154 157 K CA 0.616 56.547 56.287 -0.594 0.000 0.822 157 K CB -1.595 30.142 32.500 -1.272 0.000 1.239 157 K HN 0.290 nan 8.250 nan 0.000 0.489 158 M N 1.780 121.410 119.600 0.049 0.000 2.146 158 M HA 0.065 4.545 4.480 -0.000 0.000 0.357 158 M C 1.184 177.643 176.300 0.266 0.000 1.261 158 M CA -0.114 55.264 55.300 0.130 0.000 1.106 158 M CB 0.577 33.197 32.600 0.032 0.000 1.612 158 M HN 0.177 nan 8.290 nan 0.000 0.470 159 N N 0.647 119.526 118.700 0.299 0.000 2.203 159 N HA 0.086 4.826 4.740 -0.000 0.000 0.207 159 N C -0.846 174.849 175.510 0.309 0.000 1.130 159 N CA -0.201 53.064 53.050 0.358 0.000 0.861 159 N CB 0.630 39.367 38.487 0.416 0.000 1.005 159 N HN 0.388 nan 8.380 nan 0.000 0.507 160 T N 0.545 115.250 114.554 0.251 0.000 2.991 160 T HA 0.252 4.602 4.350 -0.000 0.000 0.303 160 T C -2.203 172.599 174.700 0.170 0.000 1.015 160 T CA -0.499 61.728 62.100 0.211 0.000 1.007 160 T CB 1.406 70.406 68.868 0.220 0.000 1.034 160 T HN 0.184 nan 8.240 nan 0.000 0.446 161 Y N 4.186 124.502 120.300 0.026 0.000 2.329 161 Y HA 0.666 5.216 4.550 -0.000 0.000 0.328 161 Y C -1.460 174.309 175.900 -0.218 0.000 0.992 161 Y CA -1.356 56.723 58.100 -0.035 0.000 1.151 161 Y CB 0.702 39.259 38.460 0.162 0.000 1.150 161 Y HN 0.600 nan 8.280 nan 0.000 0.450 162 I N 7.571 127.707 120.570 -0.724 0.000 2.312 162 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 162 I C -1.053 174.406 176.117 -1.097 0.000 1.008 162 I CA -0.935 59.912 61.300 -0.754 0.000 1.226 162 I CB 0.928 38.682 38.000 -0.410 0.000 1.371 162 I HN 0.652 nan 8.210 nan 0.000 0.468 163 Y N 5.881 125.457 120.300 -1.207 0.000 2.452 163 Y HA 0.543 5.093 4.550 -0.000 0.000 0.348 163 Y C 0.611 175.986 175.900 -0.874 0.000 0.985 163 Y CA -0.262 57.254 58.100 -0.974 0.000 1.214 163 Y CB 0.965 39.048 38.460 -0.628 0.000 1.136 163 Y HN 0.615 nan 8.280 nan 0.000 0.523 164 G N 7.313 115.418 108.800 -1.158 0.000 4.677 164 G HA2 0.172 4.132 3.960 -0.000 0.000 0.225 164 G HA3 0.172 4.132 3.960 -0.000 0.000 0.225 164 G C -3.352 170.767 174.900 -1.301 0.000 0.876 164 G CA -0.993 43.249 45.100 -1.429 0.000 0.652 164 G HN 0.407 nan 8.290 nan 0.000 0.481 165 P HA 0.142 nan 4.420 nan 0.000 0.267 165 P C 0.896 177.835 177.300 -0.601 0.000 1.209 165 P CA -0.185 62.326 63.100 -0.982 0.000 0.763 165 P CB 1.568 32.781 31.700 -0.813 0.000 0.816 166 K N 1.913 121.964 120.400 -0.582 0.000 2.152 166 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 166 K C 0.499 177.011 176.600 -0.147 0.000 1.048 166 K CA 1.486 57.512 56.287 -0.435 0.000 0.933 166 K CB -0.266 31.699 32.500 -0.890 0.000 0.721 166 K HN 0.489 nan 8.250 nan 0.000 0.447 167 D N 1.008 121.341 120.400 -0.111 0.000 2.342 167 D HA -0.040 4.599 4.640 -0.000 0.000 0.221 167 D C -0.125 176.212 176.300 0.062 0.000 1.101 167 D CA 0.110 54.126 54.000 0.028 0.000 0.837 167 D CB -0.014 40.835 40.800 0.081 0.000 0.938 167 D HN 0.076 nan 8.370 nan 0.000 0.508 168 D N 1.599 122.039 120.400 0.066 0.000 2.336 168 D HA 0.035 4.675 4.640 -0.000 0.000 0.249 168 D C -1.369 175.050 176.300 0.198 0.000 1.213 168 D CA -1.933 52.189 54.000 0.204 0.000 0.870 168 D CB 1.679 42.658 40.800 0.298 0.000 1.076 168 D HN -0.031 nan 8.370 nan 0.000 0.483 169 P HA -0.130 nan 4.420 nan 0.000 0.223 169 P C 0.595 177.746 177.300 -0.247 0.000 1.151 169 P CA 0.829 63.859 63.100 -0.116 0.000 0.787 169 P CB 0.011 31.546 31.700 -0.274 0.000 0.788 170 Y N -1.692 118.669 120.300 0.102 0.000 2.490 170 Y HA 0.017 4.566 4.550 -0.000 0.000 0.281 170 Y C 2.612 178.694 175.900 0.303 0.000 1.174 170 Y CA 0.564 58.636 58.100 -0.047 0.000 1.295 170 Y CB -0.845 37.141 38.460 -0.791 0.000 1.062 170 Y HN 0.147 nan 8.280 nan 0.000 0.522 171 H N -1.812 117.490 119.070 0.387 0.000 2.439 171 H HA 0.233 4.789 4.556 -0.000 0.000 0.299 171 H C 1.316 176.757 175.328 0.188 0.000 1.033 171 H CA 0.889 57.111 56.048 0.291 0.000 1.348 171 H CB 0.340 30.187 29.762 0.140 0.000 1.449 171 H HN 0.038 nan 8.280 nan 0.000 0.544 172 S N -1.005 114.728 115.700 0.055 0.000 2.721 172 S HA 0.760 5.230 4.470 -0.000 0.000 0.296 172 S C -0.601 174.158 174.600 0.265 0.000 1.093 172 S CA -0.403 57.840 58.200 0.072 0.000 0.959 172 S CB 0.621 63.887 63.200 0.110 0.000 1.301 172 S HN 0.572 nan 8.310 nan 0.000 0.550 173 A N 1.245 124.227 122.820 0.270 0.000 2.302 173 A HA 0.607 4.927 4.320 -0.000 0.000 0.285 173 A C -1.986 175.650 177.584 0.087 0.000 1.105 173 A CA -1.192 51.013 52.037 0.281 0.000 0.816 173 A CB -0.277 18.872 19.000 0.250 0.000 1.067 173 A HN 0.653 nan 8.150 nan 0.000 0.489 174 P HA 0.036 nan 4.420 nan 0.000 0.235 174 P C 0.363 177.481 177.300 -0.303 0.000 1.177 174 P CA 0.595 63.617 63.100 -0.131 0.000 0.785 174 P CB 0.217 31.832 31.700 -0.142 0.000 0.885 175 N N -0.078 118.493 118.700 -0.215 0.000 2.370 175 N HA -0.031 4.709 4.740 -0.000 0.000 0.198 175 N C 1.334 176.776 175.510 -0.115 0.000 1.156 175 N CA 0.065 52.951 53.050 -0.272 0.000 0.839 175 N CB -0.677 37.533 38.487 -0.462 0.000 0.989 175 N HN 0.458 nan 8.380 nan 0.000 0.468 176 W N 0.949 122.233 121.300 -0.027 0.000 2.364 176 W HA -0.129 4.531 4.660 -0.000 0.000 0.281 176 W C 0.807 177.376 176.519 0.082 0.000 1.219 176 W CA 0.215 57.600 57.345 0.067 0.000 1.220 176 W CB -0.731 28.735 29.460 0.009 0.000 1.127 176 W HN 0.049 nan 8.180 nan 0.000 0.556 177 R N 0.186 120.346 120.500 -0.567 0.000 2.235 177 R HA 0.009 4.349 4.340 -0.000 0.000 0.213 177 R C 0.351 176.563 176.300 -0.147 0.000 1.059 177 R CA 0.307 56.105 56.100 -0.503 0.000 0.997 177 R CB -0.383 29.425 30.300 -0.820 0.000 0.884 177 R HN 0.005 nan 8.270 nan 0.000 0.462 178 L N 1.336 122.528 121.223 -0.052 0.000 2.334 178 L HA 0.313 4.653 4.340 -0.000 0.000 0.277 178 L C -2.160 174.742 176.870 0.055 0.000 1.075 178 L CA -2.609 52.254 54.840 0.039 0.000 0.804 178 L CB 0.959 43.105 42.059 0.145 0.000 1.174 178 L HN -0.217 nan 8.230 nan 0.000 0.438 179 P HA 0.021 nan 4.420 nan 0.000 0.269 179 P C -1.077 176.077 177.300 -0.243 0.000 1.215 179 P CA -0.082 62.980 63.100 -0.063 0.000 0.780 179 P CB 0.158 31.838 31.700 -0.034 0.000 0.898 180 Y N 1.983 122.093 120.300 -0.317 0.000 2.597 180 Y HA 0.085 4.635 4.550 -0.000 0.000 0.336 180 Y C -1.308 174.329 175.900 -0.437 0.000 1.216 180 Y CA -0.952 56.787 58.100 -0.601 0.000 1.463 180 Y CB -0.975 37.262 38.460 -0.372 0.000 1.303 180 Y HN 0.393 nan 8.280 nan 0.000 0.576 181 P HA -0.037 nan 4.420 nan 0.000 0.271 181 P C 0.174 177.430 177.300 -0.072 0.000 1.233 181 P CA -0.035 62.983 63.100 -0.136 0.000 0.789 181 P CB 0.772 32.423 31.700 -0.082 0.000 0.951 182 D N 0.450 120.820 120.400 -0.050 0.000 2.133 182 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 182 D C 1.677 177.942 176.300 -0.057 0.000 0.997 182 D CA 1.622 55.593 54.000 -0.048 0.000 0.840 182 D CB -0.235 40.543 40.800 -0.035 0.000 0.947 182 D HN 0.346 nan 8.370 nan 0.000 0.452 183 K N 1.026 121.399 120.400 -0.045 0.000 2.009 183 K HA -0.168 4.151 4.320 -0.000 0.000 0.210 183 K C 1.877 178.429 176.600 -0.080 0.000 1.049 183 K CA 1.425 57.679 56.287 -0.054 0.000 0.929 183 K CB -0.192 32.292 32.500 -0.025 0.000 0.714 183 K HN -0.067 nan 8.250 nan 0.000 0.440 184 E N -0.061 120.109 120.200 -0.049 0.000 2.072 184 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 184 E C 1.881 178.369 176.600 -0.187 0.000 0.985 184 E CA 1.379 57.743 56.400 -0.061 0.000 0.801 184 E CB -0.361 29.394 29.700 0.091 0.000 0.750 184 E HN 0.446 nan 8.360 nan 0.000 0.452 185 A N 0.978 123.707 122.820 -0.152 0.000 1.908 185 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 185 A C 2.366 179.832 177.584 -0.196 0.000 1.181 185 A CA 1.961 53.879 52.037 -0.198 0.000 0.627 185 A CB -0.879 18.053 19.000 -0.114 0.000 0.818 185 A HN 0.298 nan 8.150 nan 0.000 0.445 186 A N -0.895 121.835 122.820 -0.150 0.000 1.930 186 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 186 A C 2.131 179.620 177.584 -0.159 0.000 1.175 186 A CA 1.604 53.559 52.037 -0.137 0.000 0.627 186 A CB -0.531 18.402 19.000 -0.111 0.000 0.815 186 A HN 0.659 nan 8.150 nan 0.000 0.443 187 Q N -0.536 119.140 119.800 -0.207 0.000 2.050 187 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 187 Q C 2.101 178.059 176.000 -0.070 0.000 0.980 187 Q CA 1.477 57.127 55.803 -0.255 0.000 0.840 187 Q CB -0.315 28.189 28.738 -0.391 0.000 0.898 187 Q HN 0.663 nan 8.270 nan 0.000 0.424 188 L N 0.480 121.578 121.223 -0.208 0.000 2.046 188 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 188 L C 2.663 179.318 176.870 -0.358 0.000 1.077 188 L CA 1.265 55.907 54.840 -0.329 0.000 0.747 188 L CB -0.363 41.358 42.059 -0.565 0.000 0.896 188 L HN 0.327 nan 8.230 nan 0.000 0.432 189 Q N 0.041 119.672 119.800 -0.281 0.000 2.096 189 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 189 Q C 2.146 178.040 176.000 -0.177 0.000 0.982 189 Q CA 2.016 57.675 55.803 -0.240 0.000 0.850 189 Q CB -0.014 28.618 28.738 -0.177 0.000 0.901 189 Q HN 0.487 nan 8.270 nan 0.000 0.422 190 E N -0.030 120.111 120.200 -0.098 0.000 2.077 190 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 190 E C 2.076 178.646 176.600 -0.050 0.000 0.989 190 E CA 0.948 57.328 56.400 -0.033 0.000 0.800 190 E CB -0.100 29.644 29.700 0.073 0.000 0.746 190 E HN 0.425 nan 8.360 nan 0.000 0.452 191 L N 0.396 121.593 121.223 -0.042 0.000 2.079 191 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 191 L C 2.546 179.346 176.870 -0.116 0.000 1.081 191 L CA 0.821 55.629 54.840 -0.054 0.000 0.752 191 L CB -0.366 41.719 42.059 0.043 0.000 0.896 191 L HN 0.138 nan 8.230 nan 0.000 0.433 192 V N -0.041 119.673 119.914 -0.333 0.000 2.307 192 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 192 V C 2.742 178.750 176.094 -0.143 0.000 1.045 192 V CA 1.789 63.889 62.300 -0.334 0.000 1.024 192 V CB -0.805 30.727 31.823 -0.484 0.000 0.651 192 V HN 0.482 nan 8.190 nan 0.000 0.449 193 A N -0.266 122.473 122.820 -0.134 0.000 1.877 193 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 193 A C 2.394 179.929 177.584 -0.082 0.000 1.186 193 A CA 2.140 54.122 52.037 -0.091 0.000 0.620 193 A CB -0.726 18.227 19.000 -0.078 0.000 0.822 193 A HN 0.327 nan 8.150 nan 0.000 0.443 194 V N -0.139 119.730 119.914 -0.075 0.000 2.343 194 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 194 V C 3.060 179.111 176.094 -0.072 0.000 1.051 194 V CA 1.866 64.118 62.300 -0.079 0.000 1.036 194 V CB -1.250 30.526 31.823 -0.080 0.000 0.654 194 V HN 0.632 nan 8.190 nan 0.000 0.451 195 A N 0.594 123.408 122.820 -0.011 0.000 1.865 195 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 195 A C 2.068 179.643 177.584 -0.014 0.000 1.191 195 A CA 2.281 54.353 52.037 0.058 0.000 0.623 195 A CB -0.771 18.360 19.000 0.218 0.000 0.826 195 A HN 0.590 nan 8.150 nan 0.000 0.444 196 N N 0.020 118.694 118.700 -0.042 0.000 2.149 196 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 196 N C 1.574 176.902 175.510 -0.303 0.000 1.019 196 N CA 1.622 54.622 53.050 -0.083 0.000 0.857 196 N CB -0.496 37.971 38.487 -0.033 0.000 0.997 196 N HN 0.691 nan 8.380 nan 0.000 0.426 197 E N 0.195 120.156 120.200 -0.399 0.000 2.204 197 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 197 E C 0.631 176.804 176.600 -0.713 0.000 0.990 197 E CA 0.582 56.527 56.400 -0.758 0.000 0.821 197 E CB 0.008 29.506 29.700 -0.337 0.000 0.750 197 E HN 0.364 nan 8.360 nan 0.000 0.477 198 N N 0.559 119.022 118.700 -0.394 0.000 2.235 198 N HA -0.021 4.719 4.740 -0.000 0.000 0.209 198 N C -0.574 174.745 175.510 -0.319 0.000 1.122 198 N CA 0.224 53.125 53.050 -0.247 0.000 0.845 198 N CB 0.827 39.307 38.487 -0.012 0.000 1.004 198 N HN 0.014 nan 8.380 nan 0.000 0.499 199 E N -0.242 119.709 120.200 -0.416 0.000 2.637 199 E HA -0.143 4.207 4.350 -0.000 0.000 0.265 199 E C -0.711 175.920 176.600 0.052 0.000 1.073 199 E CA 0.379 56.637 56.400 -0.236 0.000 0.778 199 E CB -1.862 27.563 29.700 -0.457 0.000 1.362 199 E HN 0.070 nan 8.360 nan 0.000 0.413 200 V N 1.304 121.276 119.914 0.097 0.000 2.398 200 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 200 V C 0.409 176.625 176.094 0.204 0.000 1.026 200 V CA -0.679 61.751 62.300 0.216 0.000 0.868 200 V CB 1.797 33.791 31.823 0.284 0.000 0.982 200 V HN -0.046 nan 8.190 nan 0.000 0.443 201 D N 4.015 124.549 120.400 0.223 0.000 2.346 201 D HA 0.141 4.781 4.640 -0.000 0.000 0.260 201 D C -0.295 176.145 176.300 0.232 0.000 1.252 201 D CA 0.213 54.334 54.000 0.202 0.000 0.895 201 D CB 0.506 41.416 40.800 0.183 0.000 1.097 201 D HN 0.434 nan 8.370 nan 0.000 0.489 202 F N 3.297 123.309 119.950 0.103 0.000 2.471 202 F HA 0.177 4.704 4.527 -0.000 0.000 0.365 202 F C -0.260 175.525 175.800 -0.026 0.000 1.095 202 F CA -0.481 57.590 58.000 0.120 0.000 1.174 202 F CB 0.492 39.555 39.000 0.105 0.000 1.105 202 F HN 0.001 nan 8.300 nan 0.000 0.535 203 V N 7.263 127.057 119.914 -0.199 0.000 2.328 203 V HA 0.056 4.176 4.120 -0.000 0.000 0.278 203 V C -0.751 175.172 176.094 -0.286 0.000 1.021 203 V CA -0.800 61.370 62.300 -0.216 0.000 0.838 203 V CB 0.761 32.447 31.823 -0.229 0.000 0.999 203 V HN 0.784 nan 8.190 nan 0.000 0.447 204 W N 5.383 126.511 121.300 -0.287 0.000 2.331 204 W HA 0.667 5.327 4.660 -0.000 0.000 0.306 204 W C 0.243 176.670 176.519 -0.154 0.000 1.162 204 W CA -0.278 56.993 57.345 -0.123 0.000 1.232 204 W CB 0.956 30.426 29.460 0.017 0.000 1.235 204 W HN 0.674 nan 8.180 nan 0.000 0.479 205 A N 7.240 129.529 122.820 -0.886 0.000 2.306 205 A HA 0.747 5.067 4.320 -0.000 0.000 0.330 205 A C -1.409 175.528 177.584 -1.079 0.000 1.146 205 A CA -0.777 50.681 52.037 -0.964 0.000 0.827 205 A CB 1.021 19.141 19.000 -1.467 0.000 1.178 205 A HN 0.746 nan 8.150 nan 0.000 0.490 206 I N 0.711 120.868 120.570 -0.689 0.000 2.689 206 I HA 0.374 4.544 4.170 -0.000 0.000 0.299 206 I C -0.766 174.966 176.117 -0.642 0.000 1.059 206 I CA -0.488 60.455 61.300 -0.595 0.000 1.055 206 I CB 1.739 39.663 38.000 -0.126 0.000 1.243 206 I HN 0.830 nan 8.210 nan 0.000 0.425 207 H N 8.069 126.581 119.070 -0.930 0.000 2.380 207 H HA 0.389 4.944 4.556 -0.000 0.000 0.231 207 H C -2.377 172.530 175.328 -0.702 0.000 1.415 207 H CA -1.640 53.968 56.048 -0.733 0.000 1.433 207 H CB 1.289 30.597 29.762 -0.756 0.000 1.544 207 H HN 0.401 nan 8.280 nan 0.000 0.503 208 P HA 0.113 nan 4.420 nan 0.000 0.257 208 P C 1.436 178.320 177.300 -0.694 0.000 1.241 208 P CA 0.432 62.669 63.100 -1.439 0.000 0.816 208 P CB 0.349 30.815 31.700 -2.057 0.000 1.150 209 G N 0.863 109.348 108.800 -0.525 0.000 2.443 209 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 209 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 209 G C 1.653 176.488 174.900 -0.108 0.000 1.131 209 G CA 0.455 45.462 45.100 -0.155 0.000 0.775 209 G HN 0.241 nan 8.290 nan 0.000 0.547 210 Q N 1.217 120.951 119.800 -0.111 0.000 2.167 210 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 210 Q C 1.273 177.276 176.000 0.006 0.000 0.970 210 Q CA 1.804 57.600 55.803 -0.012 0.000 0.855 210 Q CB 0.026 28.788 28.738 0.040 0.000 0.911 210 Q HN 0.607 nan 8.270 nan 0.000 0.438 211 D N -1.984 118.437 120.400 0.034 0.000 2.582 211 D HA 0.069 4.709 4.640 -0.000 0.000 0.246 211 D C 0.039 176.360 176.300 0.034 0.000 1.334 211 D CA -0.376 53.649 54.000 0.043 0.000 0.805 211 D CB -0.685 40.162 40.800 0.078 0.000 1.087 211 D HN 0.305 nan 8.370 nan 0.000 0.499 212 I N 0.753 121.284 120.570 -0.065 0.000 2.692 212 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 212 I C -0.388 175.503 176.117 -0.376 0.000 1.159 212 I CA -0.070 61.120 61.300 -0.183 0.000 1.423 212 I CB 0.520 38.210 38.000 -0.517 0.000 1.380 212 I HN -0.251 nan 8.210 nan 0.000 0.580 213 K N 6.083 126.321 120.400 -0.270 0.000 2.182 213 K HA 0.258 4.578 4.320 -0.000 0.000 0.262 213 K C -1.345 175.112 176.600 -0.238 0.000 0.957 213 K CA -0.046 56.092 56.287 -0.249 0.000 0.842 213 K CB 0.996 33.448 32.500 -0.080 0.000 1.099 213 K HN 0.468 nan 8.250 nan 0.000 0.438 214 W N 4.177 125.484 121.300 0.011 0.000 1.496 214 W HA 0.116 4.776 4.660 0.000 0.000 0.422 214 W C 0.124 176.626 176.519 -0.029 0.000 0.638 214 W CA -0.561 56.774 57.345 -0.016 0.000 2.105 214 W CB -0.252 29.191 29.460 -0.027 0.000 1.639 214 W HN 0.572 nan 8.180 nan 0.000 0.304 215 N N -0.845 117.937 118.700 0.137 0.000 2.761 215 N HA 0.265 5.005 4.740 -0.000 0.000 0.283 215 N C 0.755 176.279 175.510 0.023 0.000 1.377 215 N CA -1.045 52.044 53.050 0.067 0.000 0.791 215 N CB 0.802 39.312 38.487 0.038 0.000 1.540 215 N HN -0.002 nan 8.380 nan 0.000 0.539 216 K N -0.261 120.138 120.400 -0.001 0.000 2.097 216 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 216 K C 1.340 177.932 176.600 -0.013 0.000 1.049 216 K CA 1.366 57.639 56.287 -0.024 0.000 0.933 216 K CB -0.066 32.425 32.500 -0.014 0.000 0.717 216 K HN 0.678 nan 8.250 nan 0.000 0.442 217 E N 0.291 120.488 120.200 -0.005 0.000 2.058 217 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 217 E C 1.302 177.903 176.600 0.002 0.000 0.997 217 E CA 1.763 58.158 56.400 -0.009 0.000 0.801 217 E CB 0.036 29.725 29.700 -0.019 0.000 0.746 217 E HN 0.325 nan 8.360 nan 0.000 0.450 218 D N -0.395 120.019 120.400 0.023 0.000 2.162 218 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 218 D C 1.970 178.341 176.300 0.120 0.000 0.967 218 D CA 0.589 54.648 54.000 0.099 0.000 0.840 218 D CB -0.183 40.690 40.800 0.122 0.000 0.972 218 D HN 0.099 nan 8.370 nan 0.000 0.482 219 R N 0.773 121.295 120.500 0.036 0.000 2.094 219 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 219 R C 1.302 177.599 176.300 -0.005 0.000 1.137 219 R CA 1.879 57.963 56.100 -0.027 0.000 0.943 219 R CB -0.053 30.152 30.300 -0.158 0.000 0.850 219 R HN 0.020 nan 8.270 nan 0.000 0.433 220 D N 0.322 120.725 120.400 0.005 0.000 2.144 220 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 220 D C 1.824 178.140 176.300 0.027 0.000 0.984 220 D CA 0.799 54.816 54.000 0.029 0.000 0.834 220 D CB -0.133 40.681 40.800 0.023 0.000 0.955 220 D HN 0.166 nan 8.370 nan 0.000 0.465 221 L N 0.528 121.773 121.223 0.037 0.000 2.093 221 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 221 L C 2.339 179.278 176.870 0.115 0.000 1.085 221 L CA 0.999 55.862 54.840 0.040 0.000 0.755 221 L CB -1.016 41.026 42.059 -0.028 0.000 0.904 221 L HN 0.092 nan 8.230 nan 0.000 0.435 222 L N -1.511 119.813 121.223 0.167 0.000 2.017 222 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 222 L C 2.348 179.073 176.870 -0.241 0.000 1.073 222 L CA 1.200 56.057 54.840 0.027 0.000 0.745 222 L CB -0.101 41.865 42.059 -0.154 0.000 0.894 222 L HN 0.172 nan 8.230 nan 0.000 0.432 223 L N -0.162 120.942 121.223 -0.197 0.000 2.141 223 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 223 L C 2.704 179.493 176.870 -0.135 0.000 1.094 223 L CA 1.639 56.330 54.840 -0.249 0.000 0.763 223 L CB -0.963 41.048 42.059 -0.081 0.000 0.908 223 L HN 0.298 nan 8.230 nan 0.000 0.437 224 A N -0.668 122.133 122.820 -0.031 0.000 1.933 224 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 224 A C 2.346 179.957 177.584 0.044 0.000 1.175 224 A CA 1.888 53.934 52.037 0.015 0.000 0.628 224 A CB -0.399 18.613 19.000 0.021 0.000 0.814 224 A HN 0.278 nan 8.150 nan 0.000 0.444 225 K N -0.773 119.671 120.400 0.073 0.000 2.025 225 K HA -0.053 4.266 4.320 -0.000 0.000 0.207 225 K C 1.504 178.238 176.600 0.222 0.000 1.049 225 K CA 1.373 57.749 56.287 0.150 0.000 0.933 225 K CB -0.631 32.032 32.500 0.271 0.000 0.714 225 K HN 0.277 nan 8.250 nan 0.000 0.438 226 F N 1.638 121.528 119.950 -0.099 0.000 2.161 226 F HA -0.110 4.417 4.527 -0.000 0.000 0.300 226 F C 2.301 178.026 175.800 -0.125 0.000 1.089 226 F CA 1.572 59.413 58.000 -0.265 0.000 1.282 226 F CB -1.074 37.316 39.000 -1.016 0.000 1.010 226 F HN 0.261 nan 8.300 nan 0.000 0.485 227 E N 0.696 120.944 120.200 0.080 0.000 2.077 227 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 227 E C 2.075 178.825 176.600 0.250 0.000 0.989 227 E CA 1.455 58.007 56.400 0.254 0.000 0.800 227 E CB -0.166 29.631 29.700 0.162 0.000 0.746 227 E HN 0.032 nan 8.360 nan 0.000 0.452 228 K N -0.327 120.161 120.400 0.147 0.000 2.097 228 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 228 K C 1.958 178.599 176.600 0.067 0.000 1.049 228 K CA 1.290 57.631 56.287 0.090 0.000 0.933 228 K CB -0.260 32.262 32.500 0.037 0.000 0.717 228 K HN 0.303 nan 8.250 nan 0.000 0.442 229 M N -0.564 119.078 119.600 0.070 0.000 2.132 229 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 229 M C 2.152 178.545 176.300 0.155 0.000 1.065 229 M CA 1.233 56.520 55.300 -0.020 0.000 1.122 229 M CB -1.244 31.299 32.600 -0.096 0.000 1.365 229 M HN 0.089 nan 8.290 nan 0.000 0.411 230 Y N 1.665 122.145 120.300 0.300 0.000 2.165 230 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 230 Y C 2.377 178.346 175.900 0.115 0.000 1.155 230 Y CA 1.987 60.271 58.100 0.307 0.000 1.164 230 Y CB -0.219 38.485 38.460 0.408 0.000 0.978 230 Y HN 0.345 nan 8.280 nan 0.000 0.513 231 Q N -0.280 119.660 119.800 0.234 0.000 2.291 231 Q HA -0.131 4.209 4.340 -0.000 0.000 0.206 231 Q C 1.813 177.790 176.000 -0.039 0.000 0.976 231 Q CA 1.336 57.197 55.803 0.096 0.000 0.875 231 Q CB -0.104 28.697 28.738 0.105 0.000 0.927 231 Q HN 0.532 nan 8.270 nan 0.000 0.450 232 L N -1.344 119.826 121.223 -0.088 0.000 2.591 232 L HA 0.157 4.497 4.340 -0.000 0.000 0.228 232 L C 1.122 177.855 176.870 -0.228 0.000 1.133 232 L CA 0.486 55.223 54.840 -0.171 0.000 0.880 232 L CB 0.166 42.083 42.059 -0.236 0.000 1.033 232 L HN 0.415 nan 8.230 nan 0.000 0.450 233 G N -0.465 108.190 108.800 -0.241 0.000 2.184 233 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.206 233 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.206 233 G C 0.227 174.950 174.900 -0.295 0.000 0.995 233 G CA -0.211 44.719 45.100 -0.283 0.000 0.651 233 G HN 0.031 nan 8.290 nan 0.000 0.511 234 V N 1.870 121.624 119.914 -0.266 0.000 2.585 234 V HA 0.372 4.492 4.120 -0.000 0.000 0.296 234 V C 1.334 177.331 176.094 -0.162 0.000 1.035 234 V CA 0.306 62.457 62.300 -0.249 0.000 1.084 234 V CB 1.280 32.918 31.823 -0.309 0.000 0.953 234 V HN 0.337 nan 8.190 nan 0.000 0.483 235 R N 2.018 122.433 120.500 -0.143 0.000 2.535 235 R HA 0.337 4.677 4.340 -0.000 0.000 0.323 235 R C -0.198 176.147 176.300 0.075 0.000 0.979 235 R CA -0.025 56.106 56.100 0.052 0.000 1.120 235 R CB 1.099 31.418 30.300 0.033 0.000 1.306 235 R HN 0.609 nan 8.270 nan 0.000 0.540 236 S N 0.406 115.972 115.700 -0.223 0.000 2.548 236 S HA 0.682 5.152 4.470 -0.000 0.000 0.276 236 S C -1.268 173.015 174.600 -0.527 0.000 1.129 236 S CA -0.453 57.670 58.200 -0.128 0.000 0.931 236 S CB 1.605 64.774 63.200 -0.051 0.000 1.068 236 S HN 0.036 nan 8.310 nan 0.000 0.480 237 F N 1.161 121.107 119.950 -0.006 0.000 2.576 237 F HA 0.834 5.361 4.527 -0.000 0.000 0.313 237 F C 0.194 175.945 175.800 -0.082 0.000 1.078 237 F CA -0.675 57.243 58.000 -0.136 0.000 0.921 237 F CB 1.927 40.700 39.000 -0.379 0.000 1.232 237 F HN 0.677 nan 8.300 nan 0.000 0.459 238 A N 1.200 124.032 122.820 0.021 0.000 2.498 238 A HA 0.896 5.216 4.320 -0.000 0.000 0.298 238 A C -1.888 175.673 177.584 -0.039 0.000 1.075 238 A CA -0.784 51.232 52.037 -0.036 0.000 0.714 238 A CB 1.706 20.565 19.000 -0.236 0.000 1.299 238 A HN 0.515 nan 8.150 nan 0.000 0.407 239 V N 1.819 121.746 119.914 0.022 0.000 2.444 239 V HA 0.549 4.669 4.120 -0.000 0.000 0.294 239 V C -1.354 174.706 176.094 -0.056 0.000 1.022 239 V CA -0.447 61.771 62.300 -0.137 0.000 0.850 239 V CB 1.062 32.821 31.823 -0.108 0.000 0.992 239 V HN 0.666 nan 8.190 nan 0.000 0.426 240 F N 4.305 124.037 119.950 -0.363 0.000 2.436 240 F HA 0.629 5.156 4.527 -0.000 0.000 0.340 240 F C 0.103 175.627 175.800 -0.460 0.000 1.113 240 F CA -1.735 56.145 58.000 -0.199 0.000 1.022 240 F CB 1.547 40.589 39.000 0.070 0.000 1.128 240 F HN 0.393 nan 8.300 nan 0.000 0.466 241 F N 0.988 121.037 119.950 0.165 0.000 2.805 241 F HA 0.156 4.683 4.527 -0.000 0.000 0.317 241 F C 0.291 176.141 175.800 0.083 0.000 1.146 241 F CA -0.945 57.083 58.000 0.046 0.000 1.265 241 F CB -0.046 39.030 39.000 0.127 0.000 0.992 241 F HN 0.246 nan 8.300 nan 0.000 0.511 242 D N -1.051 119.466 120.400 0.195 0.000 2.302 242 D HA 0.117 4.757 4.640 -0.000 0.000 0.248 242 D C 0.032 176.523 176.300 0.318 0.000 1.094 242 D CA -0.148 53.938 54.000 0.142 0.000 0.897 242 D CB 1.067 41.586 40.800 -0.467 0.000 1.200 242 D HN 0.022 nan 8.370 nan 0.000 0.429 243 D N -0.168 120.483 120.400 0.418 0.000 2.716 243 D HA -0.147 4.493 4.640 -0.000 0.000 0.239 243 D C -0.134 176.340 176.300 0.290 0.000 1.125 243 D CA 0.671 54.913 54.000 0.402 0.000 0.681 243 D CB -1.621 39.429 40.800 0.418 0.000 1.070 243 D HN 0.666 nan 8.370 nan 0.000 0.432 244 I N -3.509 117.185 120.570 0.207 0.000 3.002 244 I HA 0.765 4.935 4.170 -0.000 0.000 0.310 244 I C 0.075 176.236 176.117 0.073 0.000 1.087 244 I CA -0.925 60.450 61.300 0.124 0.000 1.017 244 I CB 2.537 40.584 38.000 0.078 0.000 1.226 244 I HN -0.041 nan 8.210 nan 0.000 0.443 245 S N 1.618 117.347 115.700 0.048 0.000 2.599 245 S HA 1.016 5.485 4.470 -0.000 0.000 0.294 245 S C -0.013 174.605 174.600 0.030 0.000 1.094 245 S CA -0.161 58.051 58.200 0.021 0.000 0.931 245 S CB 1.376 64.576 63.200 0.001 0.000 1.093 245 S HN 2.153 nan 8.310 nan 0.000 0.488 246 G N 1.389 110.206 108.800 0.029 0.000 2.472 246 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.205 246 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.205 246 G C 0.155 175.099 174.900 0.074 0.000 1.270 246 G CA 0.040 45.162 45.100 0.038 0.000 0.974 246 G HN 0.629 nan 8.290 nan 0.000 0.542 247 E N 0.565 120.815 120.200 0.083 0.000 2.204 247 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 247 E C 2.585 179.379 176.600 0.323 0.000 0.990 247 E CA 1.568 58.077 56.400 0.181 0.000 0.821 247 E CB -0.750 29.040 29.700 0.149 0.000 0.750 247 E HN 0.916 nan 8.360 nan 0.000 0.477 248 G N 1.276 110.161 108.800 0.141 0.000 2.535 248 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 248 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 248 G C 1.569 176.629 174.900 0.267 0.000 1.122 248 G CA 1.363 46.575 45.100 0.186 0.000 0.769 248 G HN 0.390 nan 8.290 nan 0.000 0.549 249 T N -1.929 112.742 114.554 0.195 0.000 3.129 249 T HA 0.095 4.445 4.350 -0.000 0.000 0.251 249 T C 0.965 175.764 174.700 0.164 0.000 1.117 249 T CA -0.393 61.795 62.100 0.146 0.000 1.034 249 T CB -0.091 68.834 68.868 0.095 0.000 0.968 249 T HN 0.117 nan 8.240 nan 0.000 0.526 250 N N 3.453 122.232 118.700 0.132 0.000 2.416 250 N HA 0.098 4.838 4.740 -0.000 0.000 0.265 250 N C -1.434 173.967 175.510 -0.181 0.000 1.195 250 N CA -1.934 51.109 53.050 -0.010 0.000 0.943 250 N CB 1.609 40.045 38.487 -0.086 0.000 1.115 250 N HN 0.128 nan 8.380 nan 0.000 0.481 251 P HA -0.165 nan 4.420 nan 0.000 0.219 251 P C 1.144 178.217 177.300 -0.378 0.000 1.150 251 P CA 1.060 63.912 63.100 -0.413 0.000 0.814 251 P CB 0.410 31.686 31.700 -0.706 0.000 0.787 252 Q N 0.256 119.863 119.800 -0.322 0.000 2.050 252 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 252 Q C 2.027 177.782 176.000 -0.408 0.000 0.980 252 Q CA 1.460 57.080 55.803 -0.303 0.000 0.840 252 Q CB -0.125 28.467 28.738 -0.243 0.000 0.898 252 Q HN 0.036 nan 8.270 nan 0.000 0.424 253 K N 0.452 120.475 120.400 -0.628 0.000 2.097 253 K HA -0.127 4.192 4.320 -0.000 0.000 0.205 253 K C 2.085 178.096 176.600 -0.982 0.000 1.050 253 K CA 1.199 56.843 56.287 -1.071 0.000 0.938 253 K CB -0.185 31.039 32.500 -2.127 0.000 0.718 253 K HN 0.403 nan 8.250 nan 0.000 0.442 254 Q N 0.234 119.597 119.800 -0.728 0.000 2.061 254 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 254 Q C 2.160 178.057 176.000 -0.172 0.000 0.984 254 Q CA 1.768 57.313 55.803 -0.429 0.000 0.846 254 Q CB -0.251 28.116 28.738 -0.618 0.000 0.902 254 Q HN 0.331 nan 8.270 nan 0.000 0.421 255 A N 1.118 123.815 122.820 -0.206 0.000 1.902 255 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 255 A C 1.828 179.375 177.584 -0.061 0.000 1.181 255 A CA 1.514 53.491 52.037 -0.101 0.000 0.623 255 A CB -0.416 18.505 19.000 -0.132 0.000 0.818 255 A HN 0.340 nan 8.150 nan 0.000 0.443 256 E N -0.773 119.350 120.200 -0.128 0.000 2.077 256 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 256 E C 1.955 178.566 176.600 0.019 0.000 0.989 256 E CA 1.265 57.621 56.400 -0.074 0.000 0.800 256 E CB -0.250 29.359 29.700 -0.152 0.000 0.746 256 E HN 0.545 nan 8.360 nan 0.000 0.452 257 L N 0.826 122.059 121.223 0.016 0.000 2.027 257 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 257 L C 2.025 179.014 176.870 0.198 0.000 1.074 257 L CA 1.447 56.376 54.840 0.148 0.000 0.745 257 L CB -0.260 41.975 42.059 0.293 0.000 0.898 257 L HN 0.134 nan 8.230 nan 0.000 0.433 258 L N -0.046 121.285 121.223 0.180 0.000 2.046 258 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 258 L C 2.316 179.284 176.870 0.164 0.000 1.077 258 L CA 1.476 56.430 54.840 0.190 0.000 0.747 258 L CB -1.606 40.566 42.059 0.189 0.000 0.896 258 L HN 0.426 nan 8.230 nan 0.000 0.432 259 N N -0.767 118.010 118.700 0.128 0.000 2.223 259 N HA -0.236 4.504 4.740 -0.000 0.000 0.185 259 N C 1.758 177.348 175.510 0.134 0.000 1.016 259 N CA 1.009 54.124 53.050 0.108 0.000 0.863 259 N CB -0.415 38.114 38.487 0.070 0.000 0.983 259 N HN 0.372 nan 8.380 nan 0.000 0.429 260 Y N 1.224 121.553 120.300 0.048 0.000 2.220 260 Y HA 0.026 4.576 4.550 -0.000 0.000 0.291 260 Y C 2.113 178.054 175.900 0.069 0.000 1.129 260 Y CA 1.095 59.224 58.100 0.048 0.000 1.161 260 Y CB -0.191 38.290 38.460 0.036 0.000 0.997 260 Y HN -0.060 nan 8.280 nan 0.000 0.522 261 I N 0.136 120.838 120.570 0.220 0.000 2.163 261 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 261 I C 2.190 178.405 176.117 0.163 0.000 1.085 261 I CA 1.824 63.225 61.300 0.167 0.000 1.347 261 I CB -0.472 37.650 38.000 0.203 0.000 1.044 261 I HN 0.254 nan 8.210 nan 0.000 0.408 262 D N 1.017 121.501 120.400 0.141 0.000 2.092 262 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 262 D C 2.082 178.407 176.300 0.042 0.000 0.994 262 D CA 1.695 55.763 54.000 0.113 0.000 0.828 262 D CB 0.012 40.873 40.800 0.101 0.000 0.963 262 D HN 0.330 nan 8.370 nan 0.000 0.450 263 E N -0.904 119.287 120.200 -0.014 0.000 2.152 263 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 263 E C 1.620 178.143 176.600 -0.128 0.000 0.983 263 E CA 0.732 57.093 56.400 -0.066 0.000 0.818 263 E CB 0.210 29.870 29.700 -0.066 0.000 0.758 263 E HN 0.074 nan 8.360 nan 0.000 0.467 264 K N -0.965 119.300 120.400 -0.224 0.000 2.367 264 K HA 0.122 4.442 4.320 -0.000 0.000 0.194 264 K C 0.662 177.253 176.600 -0.016 0.000 1.027 264 K CA 0.232 56.384 56.287 -0.225 0.000 1.075 264 K CB 0.517 32.694 32.500 -0.539 0.000 0.845 264 K HN 0.104 nan 8.250 nan 0.000 0.529 265 F N -0.344 119.520 119.950 -0.143 0.000 1.964 265 F HA 0.262 4.789 4.527 -0.000 0.000 0.248 265 F C 1.694 177.449 175.800 -0.075 0.000 1.051 265 F CA 0.558 58.490 58.000 -0.113 0.000 1.221 265 F CB -0.311 38.640 39.000 -0.081 0.000 1.497 265 F HN -0.164 nan 8.300 nan 0.000 0.653 266 A N 0.119 122.976 122.820 0.062 0.000 2.019 266 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 266 A C 1.637 179.195 177.584 -0.043 0.000 1.164 266 A CA 1.644 53.680 52.037 -0.000 0.000 0.644 266 A CB -0.515 18.574 19.000 0.148 0.000 0.805 266 A HN 0.543 nan 8.150 nan 0.000 0.449 267 Q N -0.950 118.828 119.800 -0.036 0.000 2.319 267 Q HA 0.191 4.530 4.340 -0.000 0.000 0.202 267 Q C 1.514 177.472 176.000 -0.070 0.000 0.896 267 Q CA 0.486 56.267 55.803 -0.037 0.000 0.942 267 Q CB 0.443 29.170 28.738 -0.018 0.000 1.083 267 Q HN 0.503 nan 8.270 nan 0.000 0.510 268 V N -0.170 119.671 119.914 -0.122 0.000 3.048 268 V HA 0.054 4.174 4.120 -0.000 0.000 0.241 268 V C 0.662 176.643 176.094 -0.187 0.000 1.129 268 V CA 0.500 62.721 62.300 -0.133 0.000 1.128 268 V CB 0.327 32.076 31.823 -0.124 0.000 0.849 268 V HN 0.060 nan 8.190 nan 0.000 0.475 269 K N 1.924 122.134 120.400 -0.318 0.000 2.295 269 K HA 0.216 4.536 4.320 -0.000 0.000 0.270 269 K C -1.557 174.963 176.600 -0.133 0.000 1.011 269 K CA -1.789 54.296 56.287 -0.336 0.000 0.953 269 K CB 0.545 32.656 32.500 -0.647 0.000 0.956 269 K HN 0.077 nan 8.250 nan 0.000 0.477 270 P HA -0.081 nan 4.420 nan 0.000 0.229 270 P C -0.258 177.069 177.300 0.044 0.000 1.160 270 P CA 1.086 64.193 63.100 0.012 0.000 0.777 270 P CB 0.319 32.039 31.700 0.033 0.000 0.814 271 D N -1.165 119.287 120.400 0.088 0.000 2.940 271 D HA 0.108 4.748 4.640 -0.000 0.000 0.366 271 D C -0.071 176.311 176.300 0.136 0.000 1.446 271 D CA -0.535 53.526 54.000 0.101 0.000 0.780 271 D CB -0.447 40.410 40.800 0.095 0.000 1.206 271 D HN -0.022 nan 8.370 nan 0.000 0.454 272 I N 1.195 121.840 120.570 0.125 0.000 2.441 272 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 272 I C 0.900 177.108 176.117 0.153 0.000 1.049 272 I CA -0.114 61.290 61.300 0.174 0.000 1.381 272 I CB 0.547 38.636 38.000 0.148 0.000 1.409 272 I HN -0.001 nan 8.210 nan 0.000 0.523 273 N N 4.172 122.972 118.700 0.166 0.000 2.476 273 N HA 0.096 4.836 4.740 -0.000 0.000 0.234 273 N C -0.244 175.352 175.510 0.145 0.000 1.035 273 N CA -0.312 52.830 53.050 0.152 0.000 1.194 273 N CB -0.000 38.576 38.487 0.148 0.000 1.542 273 N HN 0.565 nan 8.380 nan 0.000 0.628 274 Q N 0.781 120.637 119.800 0.093 0.000 2.261 274 Q HA 0.431 4.771 4.340 -0.000 0.000 0.252 274 Q C -1.357 174.700 176.000 0.095 0.000 0.915 274 Q CA -0.295 55.520 55.803 0.020 0.000 0.915 274 Q CB 1.923 30.565 28.738 -0.160 0.000 1.204 274 Q HN 0.211 nan 8.270 nan 0.000 0.421 275 L N 3.016 124.298 121.223 0.099 0.000 2.372 275 L HA 0.533 4.873 4.340 -0.000 0.000 0.274 275 L C -1.570 175.347 176.870 0.078 0.000 0.988 275 L CA -0.590 54.340 54.840 0.150 0.000 0.833 275 L CB 1.954 44.137 42.059 0.207 0.000 1.236 275 L HN 0.439 nan 8.230 nan 0.000 0.410 276 V N 5.601 125.548 119.914 0.055 0.000 2.789 276 V HA 0.674 4.794 4.120 -0.000 0.000 0.311 276 V C -0.314 175.847 176.094 0.112 0.000 1.073 276 V CA -0.561 61.729 62.300 -0.017 0.000 0.921 276 V CB 1.986 33.680 31.823 -0.216 0.000 1.009 276 V HN 0.886 nan 8.190 nan 0.000 0.426 277 M N 3.445 123.136 119.600 0.152 0.000 2.530 277 M HA 0.744 5.224 4.480 -0.000 0.000 0.307 277 M C -0.932 175.537 176.300 0.282 0.000 1.161 277 M CA -0.163 55.299 55.300 0.270 0.000 0.903 277 M CB 1.650 34.432 32.600 0.304 0.000 1.711 277 M HN 0.495 nan 8.290 nan 0.000 0.451 278 C N 5.231 124.742 119.300 0.351 0.000 2.255 278 C HA 0.776 5.236 4.460 -0.000 0.000 0.326 278 C C -2.124 173.037 174.990 0.286 0.000 1.258 278 C CA -1.382 57.731 59.018 0.157 0.000 1.676 278 C CB 0.442 28.023 27.740 -0.265 0.000 2.314 278 C HN 0.755 nan 8.230 nan 0.000 0.509 279 P HA 0.193 nan 4.420 nan 0.000 0.274 279 P C 0.603 178.147 177.300 0.406 0.000 1.256 279 P CA 0.201 63.578 63.100 0.460 0.000 0.795 279 P CB 0.599 32.632 31.700 0.556 0.000 1.038 280 T N -0.903 113.866 114.554 0.358 0.000 2.812 280 T HA -0.062 4.288 4.350 -0.000 0.000 0.264 280 T C 0.488 175.210 174.700 0.035 0.000 1.042 280 T CA 1.259 63.466 62.100 0.178 0.000 1.140 280 T CB -0.325 68.556 68.868 0.021 0.000 0.870 280 T HN 0.488 nan 8.240 nan 0.000 0.445 281 E N 1.640 121.681 120.200 -0.266 0.000 1.893 281 E HA 0.134 4.484 4.350 -0.000 0.000 0.269 281 E C -0.365 176.352 176.600 0.196 0.000 1.129 281 E CA -0.277 56.054 56.400 -0.116 0.000 0.904 281 E CB 0.262 29.825 29.700 -0.229 0.000 1.077 281 E HN 0.696 nan 8.360 nan 0.000 0.407 282 Y N 1.620 121.902 120.300 -0.031 0.000 2.531 282 Y HA 0.276 4.826 4.550 -0.000 0.000 0.249 282 Y C -0.253 175.051 175.900 -0.993 0.000 1.168 282 Y CA -1.034 56.924 58.100 -0.235 0.000 1.226 282 Y CB -0.068 38.172 38.460 -0.366 0.000 1.177 282 Y HN 0.267 nan 8.280 nan 0.000 0.527 283 N N -1.542 116.465 118.700 -1.155 0.000 2.708 283 N HA 0.176 4.916 4.740 -0.000 0.000 0.257 283 N C 0.009 175.142 175.510 -0.629 0.000 1.373 283 N CA -1.066 51.103 53.050 -1.469 0.000 0.843 283 N CB 1.488 39.333 38.487 -1.071 0.000 1.503 283 N HN -0.027 nan 8.380 nan 0.000 0.504 284 K N 0.007 120.192 120.400 -0.358 0.000 2.057 284 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 284 K C 1.446 177.950 176.600 -0.160 0.000 1.049 284 K CA 2.046 58.232 56.287 -0.169 0.000 0.931 284 K CB -0.277 31.941 32.500 -0.470 0.000 0.714 284 K HN 0.677 nan 8.250 nan 0.000 0.440 285 S N -0.663 114.936 115.700 -0.167 0.000 2.419 285 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 285 S C 1.352 176.033 174.600 0.135 0.000 1.016 285 S CA 0.618 58.798 58.200 -0.034 0.000 0.974 285 S CB -0.414 62.772 63.200 -0.023 0.000 0.786 285 S HN 0.443 nan 8.310 nan 0.000 0.492 286 W N 3.493 124.632 121.300 -0.269 0.000 3.290 286 W HA 0.445 5.104 4.660 -0.000 0.000 0.287 286 W C 0.805 177.218 176.519 -0.176 0.000 1.288 286 W CA -0.864 56.317 57.345 -0.273 0.000 1.725 286 W CB -0.796 28.378 29.460 -0.476 0.000 1.103 286 W HN 0.411 nan 8.180 nan 0.000 0.670 287 S N 0.649 116.433 115.700 0.139 0.000 2.562 287 S HA 0.269 4.739 4.470 -0.000 0.000 0.275 287 S C -0.194 174.486 174.600 0.134 0.000 1.281 287 S CA -0.652 57.662 58.200 0.190 0.000 1.045 287 S CB 1.500 64.958 63.200 0.430 0.000 0.962 287 S HN 0.092 nan 8.310 nan 0.000 0.503 288 N N 3.398 122.162 118.700 0.106 0.000 2.420 288 N HA 0.416 5.156 4.740 -0.000 0.000 0.249 288 N C -2.698 172.883 175.510 0.119 0.000 1.033 288 N CA -1.889 51.205 53.050 0.073 0.000 0.944 288 N CB 0.457 38.962 38.487 0.031 0.000 1.113 288 N HN 0.415 nan 8.380 nan 0.000 0.502 289 P HA 0.160 nan 4.420 nan 0.000 0.268 289 P C -0.431 176.927 177.300 0.097 0.000 1.204 289 P CA 0.227 63.411 63.100 0.141 0.000 0.768 289 P CB 0.274 32.049 31.700 0.125 0.000 0.842 290 N N -1.277 117.479 118.700 0.093 0.000 2.900 290 N HA -0.170 4.570 4.740 -0.000 0.000 0.240 290 N C 0.731 176.272 175.510 0.052 0.000 0.953 290 N CA 1.266 54.351 53.050 0.058 0.000 0.950 290 N CB -1.631 36.883 38.487 0.046 0.000 1.102 290 N HN 0.669 nan 8.380 nan 0.000 0.593 291 G N -0.389 108.454 108.800 0.072 0.000 2.572 291 G HA2 0.393 4.353 3.960 -0.000 0.000 0.261 291 G HA3 0.393 4.353 3.960 -0.000 0.000 0.261 291 G C 0.193 175.141 174.900 0.081 0.000 1.197 291 G CA -0.395 44.749 45.100 0.074 0.000 0.870 291 G HN 0.337 nan 8.290 nan 0.000 0.548 292 N N -0.646 118.097 118.700 0.071 0.000 2.389 292 N HA 0.116 4.856 4.740 -0.000 0.000 0.260 292 N C 0.582 176.117 175.510 0.042 0.000 1.191 292 N CA -0.416 52.656 53.050 0.036 0.000 0.885 292 N CB 0.427 38.909 38.487 -0.008 0.000 1.162 292 N HN 0.603 nan 8.380 nan 0.000 0.512 293 Y N 1.159 121.463 120.300 0.006 0.000 2.089 293 Y HA -0.162 4.388 4.550 -0.000 0.000 0.282 293 Y C 1.583 177.487 175.900 0.006 0.000 1.139 293 Y CA 1.666 59.773 58.100 0.012 0.000 1.123 293 Y CB 0.008 38.498 38.460 0.048 0.000 0.980 293 Y HN 0.091 nan 8.280 nan 0.000 0.493 294 L N -0.511 120.828 121.223 0.195 0.000 2.109 294 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 294 L C 2.519 179.337 176.870 -0.087 0.000 1.086 294 L CA 1.667 56.549 54.840 0.071 0.000 0.760 294 L CB -0.978 41.138 42.059 0.093 0.000 0.910 294 L HN 0.399 nan 8.230 nan 0.000 0.437 295 T N -4.756 109.743 114.554 -0.091 0.000 2.867 295 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 295 T C 1.814 176.442 174.700 -0.121 0.000 1.057 295 T CA 1.504 63.536 62.100 -0.113 0.000 1.136 295 T CB -0.565 68.243 68.868 -0.099 0.000 0.874 295 T HN 0.163 nan 8.240 nan 0.000 0.466 296 T N 2.547 117.012 114.554 -0.148 0.000 2.674 296 T HA 0.092 4.442 4.350 -0.000 0.000 0.265 296 T C 1.910 176.494 174.700 -0.194 0.000 1.039 296 T CA 1.285 63.279 62.100 -0.176 0.000 1.150 296 T CB -0.547 68.190 68.868 -0.219 0.000 0.864 296 T HN 0.292 nan 8.240 nan 0.000 0.427 297 L N 0.643 121.712 121.223 -0.257 0.000 1.989 297 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 297 L C 3.062 179.869 176.870 -0.106 0.000 1.071 297 L CA 1.621 56.346 54.840 -0.192 0.000 0.749 297 L CB -1.206 40.736 42.059 -0.195 0.000 0.890 297 L HN 0.378 nan 8.230 nan 0.000 0.431 298 G N -0.524 108.217 108.800 -0.099 0.000 2.442 298 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 298 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 298 G C 1.135 175.996 174.900 -0.065 0.000 1.141 298 G CA 1.041 46.096 45.100 -0.074 0.000 0.763 298 G HN 0.328 nan 8.290 nan 0.000 0.554 299 D N 0.033 120.387 120.400 -0.077 0.000 2.183 299 D HA 0.029 4.669 4.640 -0.000 0.000 0.205 299 D C 2.451 178.718 176.300 -0.056 0.000 0.962 299 D CA 0.681 54.643 54.000 -0.064 0.000 0.849 299 D CB 0.055 40.813 40.800 -0.071 0.000 0.978 299 D HN 0.182 nan 8.370 nan 0.000 0.488 300 K N 0.066 120.425 120.400 -0.069 0.000 2.242 300 K HA 0.149 4.469 4.320 -0.000 0.000 0.200 300 K C 1.000 177.577 176.600 -0.039 0.000 1.050 300 K CA -0.122 56.128 56.287 -0.062 0.000 0.981 300 K CB 0.423 32.868 32.500 -0.091 0.000 0.795 300 K HN 0.163 nan 8.250 nan 0.000 0.477 301 L N 3.355 124.558 121.223 -0.033 0.000 2.455 301 L HA 0.006 4.346 4.340 -0.000 0.000 0.272 301 L C 0.080 176.960 176.870 0.017 0.000 1.174 301 L CA -0.253 54.587 54.840 0.001 0.000 0.869 301 L CB 0.175 42.244 42.059 0.017 0.000 1.130 301 L HN 0.104 nan 8.230 nan 0.000 0.474 302 N N 5.928 124.648 118.700 0.033 0.000 2.356 302 N HA -0.037 4.703 4.740 -0.000 0.000 0.252 302 N C -1.442 174.096 175.510 0.047 0.000 1.241 302 N CA -1.045 52.028 53.050 0.038 0.000 0.861 302 N CB 0.352 38.869 38.487 0.050 0.000 1.075 302 N HN 0.376 nan 8.380 nan 0.000 0.461 303 P HA -0.145 nan 4.420 nan 0.000 0.220 303 P C 0.826 178.168 177.300 0.070 0.000 1.144 303 P CA 1.236 64.364 63.100 0.047 0.000 0.800 303 P CB 0.116 31.838 31.700 0.036 0.000 0.772 304 S N -1.452 114.294 115.700 0.077 0.000 2.522 304 S HA 0.032 4.502 4.470 -0.000 0.000 0.227 304 S C 0.954 175.623 174.600 0.115 0.000 0.986 304 S CA -0.068 58.191 58.200 0.099 0.000 0.929 304 S CB -0.952 62.304 63.200 0.094 0.000 0.769 304 S HN 0.055 nan 8.310 nan 0.000 0.529 305 I N 2.654 123.288 120.570 0.106 0.000 2.395 305 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 305 I C 0.143 176.330 176.117 0.116 0.000 1.023 305 I CA -0.632 60.735 61.300 0.112 0.000 1.350 305 I CB 0.922 38.990 38.000 0.113 0.000 1.409 305 I HN 0.129 nan 8.210 nan 0.000 0.507 306 Q N 6.179 126.043 119.800 0.106 0.000 2.260 306 Q HA 0.579 4.919 4.340 -0.000 0.000 0.242 306 Q C -0.626 175.439 176.000 0.108 0.000 0.932 306 Q CA -0.372 55.506 55.803 0.125 0.000 0.891 306 Q CB 2.420 31.206 28.738 0.080 0.000 1.222 306 Q HN 0.531 nan 8.270 nan 0.000 0.453 307 I N 2.152 122.819 120.570 0.161 0.000 2.447 307 I HA 0.317 4.486 4.170 -0.000 0.000 0.287 307 I C -0.126 176.144 176.117 0.255 0.000 1.023 307 I CA -0.477 60.932 61.300 0.183 0.000 1.083 307 I CB 1.476 39.572 38.000 0.160 0.000 1.245 307 I HN 0.357 nan 8.210 nan 0.000 0.434 308 M N 5.361 125.113 119.600 0.253 0.000 2.247 308 M HA 0.361 4.841 4.480 -0.000 0.000 0.326 308 M C -0.861 175.706 176.300 0.445 0.000 1.134 308 M CA 0.092 55.586 55.300 0.323 0.000 1.136 308 M CB 1.684 34.425 32.600 0.234 0.000 1.454 308 M HN 0.568 nan 8.290 nan 0.000 0.467 309 W N 1.044 122.435 121.300 0.152 0.000 3.624 309 W HA 0.183 4.843 4.660 0.000 0.000 0.312 309 W C -0.332 176.239 176.519 0.087 0.000 1.203 309 W CA -0.589 56.828 57.345 0.120 0.000 1.225 309 W CB 1.788 31.344 29.460 0.161 0.000 1.321 309 W HN 0.804 nan 8.180 nan 0.000 0.506 310 T N 1.196 115.471 114.554 -0.465 0.000 3.086 310 T HA 0.477 4.827 4.350 -0.000 0.000 0.250 310 T C 0.781 175.256 174.700 -0.375 0.000 1.074 310 T CA 1.060 62.945 62.100 -0.358 0.000 0.988 310 T CB 0.599 69.204 68.868 -0.437 0.000 0.988 310 T HN 1.256 nan 8.240 nan 0.000 0.530 311 G N 1.230 109.617 108.800 -0.688 0.000 2.378 311 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.198 311 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.198 311 G C -0.363 174.343 174.900 -0.323 0.000 1.223 311 G CA 0.037 45.002 45.100 -0.224 0.000 1.088 311 G HN 0.174 nan 8.290 nan 0.000 0.530 312 D N 1.132 121.454 120.400 -0.130 0.000 2.317 312 D HA 0.130 4.769 4.640 -0.000 0.000 0.211 312 D C 1.450 177.589 176.300 -0.268 0.000 0.966 312 D CA 1.107 55.010 54.000 -0.162 0.000 0.876 312 D CB 0.263 41.008 40.800 -0.092 0.000 0.927 312 D HN 0.419 nan 8.370 nan 0.000 0.519 313 R N -1.075 119.228 120.500 -0.328 0.000 2.831 313 R HA 0.315 4.655 4.340 -0.000 0.000 0.266 313 R C 1.051 177.012 176.300 -0.566 0.000 1.051 313 R CA -0.753 55.114 56.100 -0.387 0.000 0.943 313 R CB 1.314 31.474 30.300 -0.234 0.000 1.228 313 R HN -0.291 nan 8.270 nan 0.000 0.467 314 V N 1.139 120.620 119.914 -0.721 0.000 2.287 314 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 314 V C 1.005 176.675 176.094 -0.706 0.000 1.053 314 V CA 1.592 63.391 62.300 -0.835 0.000 1.027 314 V CB -0.185 31.000 31.823 -1.062 0.000 0.646 314 V HN 0.435 nan 8.190 nan 0.000 0.447 315 I N 0.332 120.478 120.570 -0.708 0.000 2.354 315 I HA 0.570 4.740 4.170 -0.000 0.000 0.286 315 I C -0.243 175.589 176.117 -0.475 0.000 1.007 315 I CA 0.413 61.297 61.300 -0.692 0.000 1.167 315 I CB 0.838 38.328 38.000 -0.849 0.000 1.320 315 I HN 0.175 nan 8.210 nan 0.000 0.458 316 S N 5.014 120.523 115.700 -0.319 0.000 2.537 316 S HA 0.487 4.957 4.470 -0.000 0.000 0.271 316 S C -1.368 173.363 174.600 0.218 0.000 1.148 316 S CA -0.689 57.493 58.200 -0.029 0.000 0.868 316 S CB 1.842 64.985 63.200 -0.095 0.000 1.115 316 S HN 0.511 nan 8.310 nan 0.000 0.461 317 D N 2.420 122.978 120.400 0.262 0.000 2.283 317 D HA 0.376 5.016 4.640 -0.000 0.000 0.248 317 D C -0.102 176.268 176.300 0.117 0.000 1.072 317 D CA -0.279 53.864 54.000 0.238 0.000 0.929 317 D CB 0.709 41.598 40.800 0.149 0.000 1.182 317 D HN 0.434 nan 8.370 nan 0.000 0.433 318 I N 1.572 122.169 120.570 0.045 0.000 2.304 318 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 318 I C 0.969 177.139 176.117 0.089 0.000 1.018 318 I CA -0.418 60.945 61.300 0.104 0.000 1.260 318 I CB 0.161 38.259 38.000 0.163 0.000 1.390 318 I HN 0.270 nan 8.210 nan 0.000 0.475 319 T N 2.749 117.371 114.554 0.114 0.000 2.942 319 T HA 0.454 4.803 4.350 -0.000 0.000 0.289 319 T C 1.064 175.832 174.700 0.113 0.000 1.044 319 T CA -0.789 61.369 62.100 0.098 0.000 1.023 319 T CB 2.344 71.263 68.868 0.085 0.000 1.123 319 T HN 0.633 nan 8.240 nan 0.000 0.512 320 R N 0.281 120.837 120.500 0.093 0.000 2.091 320 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 320 R C 1.234 177.597 176.300 0.105 0.000 1.136 320 R CA 2.028 58.182 56.100 0.090 0.000 0.959 320 R CB -0.500 29.841 30.300 0.069 0.000 0.856 320 R HN 0.715 nan 8.270 nan 0.000 0.437 321 D N -0.666 119.796 120.400 0.104 0.000 2.144 321 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 321 D C 1.706 178.110 176.300 0.174 0.000 0.978 321 D CA 1.512 55.586 54.000 0.123 0.000 0.833 321 D CB -0.487 40.372 40.800 0.099 0.000 0.961 321 D HN 0.503 nan 8.370 nan 0.000 0.470 322 G N 0.742 109.642 108.800 0.167 0.000 2.404 322 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 322 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 322 G C 1.725 176.806 174.900 0.302 0.000 1.174 322 G CA 0.325 45.563 45.100 0.230 0.000 0.780 322 G HN 0.287 nan 8.290 nan 0.000 0.537 323 I N 0.901 121.608 120.570 0.228 0.000 2.394 323 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 323 I C 2.810 178.999 176.117 0.120 0.000 1.136 323 I CA 1.221 62.630 61.300 0.181 0.000 1.425 323 I CB 0.075 38.169 38.000 0.158 0.000 1.079 323 I HN 0.097 nan 8.210 nan 0.000 0.425 324 S N -0.187 115.592 115.700 0.132 0.000 2.368 324 S HA -0.261 4.209 4.470 -0.000 0.000 0.225 324 S C 1.530 176.183 174.600 0.089 0.000 1.030 324 S CA 1.652 59.906 58.200 0.090 0.000 0.999 324 S CB -0.720 62.538 63.200 0.096 0.000 0.844 324 S HN 0.705 nan 8.310 nan 0.000 0.459 325 W N 1.803 123.095 121.300 -0.013 0.000 2.333 325 W HA -0.147 4.513 4.660 -0.000 0.000 0.316 325 W C 2.019 178.462 176.519 -0.127 0.000 1.215 325 W CA 1.235 58.563 57.345 -0.028 0.000 1.278 325 W CB -0.468 29.015 29.460 0.037 0.000 1.154 325 W HN 0.245 nan 8.180 nan 0.000 0.486 326 I N 1.382 121.992 120.570 0.067 0.000 2.252 326 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 326 I C 1.852 177.750 176.117 -0.365 0.000 1.102 326 I CA 1.882 62.937 61.300 -0.409 0.000 1.385 326 I CB -0.855 36.483 38.000 -1.102 0.000 1.064 326 I HN -0.064 nan 8.210 nan 0.000 0.414 327 N N 0.718 119.296 118.700 -0.203 0.000 2.223 327 N HA -0.227 4.513 4.740 -0.000 0.000 0.185 327 N C 1.812 177.229 175.510 -0.155 0.000 1.016 327 N CA 1.298 54.265 53.050 -0.138 0.000 0.863 327 N CB -0.353 38.099 38.487 -0.057 0.000 0.983 327 N HN 0.557 nan 8.380 nan 0.000 0.429 328 E N 0.458 120.542 120.200 -0.194 0.000 2.204 328 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 328 E C 1.538 177.991 176.600 -0.244 0.000 0.989 328 E CA 0.764 57.044 56.400 -0.201 0.000 0.824 328 E CB 0.227 29.792 29.700 -0.225 0.000 0.756 328 E HN 0.316 nan 8.360 nan 0.000 0.477 329 R N -0.079 120.223 120.500 -0.329 0.000 2.123 329 R HA 0.109 4.449 4.340 -0.000 0.000 0.209 329 R C 2.539 178.712 176.300 -0.213 0.000 1.078 329 R CA 0.954 56.864 56.100 -0.317 0.000 1.028 329 R CB -0.096 29.916 30.300 -0.479 0.000 0.939 329 R HN 0.288 nan 8.270 nan 0.000 0.463 330 I N -1.340 119.110 120.570 -0.200 0.000 3.251 330 I HA 0.111 4.281 4.170 -0.000 0.000 0.277 330 I C -0.338 175.731 176.117 -0.081 0.000 1.268 330 I CA 0.176 61.403 61.300 -0.122 0.000 1.449 330 I CB 0.262 38.202 38.000 -0.099 0.000 1.083 330 I HN -0.084 nan 8.210 nan 0.000 0.464 331 K N 2.324 122.670 120.400 -0.090 0.000 3.129 331 K HA -0.184 4.136 4.320 -0.000 0.000 0.273 331 K C -0.320 176.263 176.600 -0.027 0.000 1.123 331 K CA 1.183 57.435 56.287 -0.058 0.000 0.800 331 K CB -1.904 30.566 32.500 -0.051 0.000 1.238 331 K HN 0.923 nan 8.250 nan 0.000 0.492 332 R N -2.850 117.638 120.500 -0.020 0.000 2.728 332 R HA 0.431 4.771 4.340 -0.000 0.000 0.274 332 R C -3.374 172.940 176.300 0.024 0.000 1.032 332 R CA -1.775 54.334 56.100 0.016 0.000 0.866 332 R CB 1.023 31.348 30.300 0.042 0.000 1.263 332 R HN -0.283 nan 8.270 nan 0.000 0.475 333 P HA 0.154 nan 4.420 nan 0.000 0.276 333 P C -0.461 176.908 177.300 0.115 0.000 1.243 333 P CA -0.067 63.074 63.100 0.068 0.000 0.768 333 P CB 1.090 32.833 31.700 0.071 0.000 0.856 334 A N 3.966 126.850 122.820 0.105 0.000 2.483 334 A HA 0.064 4.384 4.320 -0.000 0.000 0.238 334 A C -0.629 177.123 177.584 0.279 0.000 1.070 334 A CA 0.104 52.246 52.037 0.176 0.000 0.770 334 A CB -0.459 18.623 19.000 0.136 0.000 1.008 334 A HN 0.613 nan 8.150 nan 0.000 0.497 335 Y N 3.516 123.936 120.300 0.199 0.000 2.434 335 Y HA 0.378 4.928 4.550 -0.000 0.000 0.341 335 Y C -0.125 175.902 175.900 0.212 0.000 0.965 335 Y CA -1.049 57.174 58.100 0.205 0.000 1.205 335 Y CB 0.451 39.022 38.460 0.184 0.000 1.121 335 Y HN 0.476 nan 8.280 nan 0.000 0.507 336 I N 6.384 127.116 120.570 0.269 0.000 2.471 336 I HA -0.121 4.048 4.170 -0.000 0.000 0.286 336 I C -0.230 175.951 176.117 0.106 0.000 1.079 336 I CA -0.223 61.179 61.300 0.170 0.000 1.398 336 I CB 0.319 38.318 38.000 -0.002 0.000 1.403 336 I HN 0.712 nan 8.210 nan 0.000 0.530 337 W N 9.251 130.517 121.300 -0.056 0.000 2.282 337 W HA 0.204 4.864 4.660 -0.000 0.000 0.322 337 W C -1.362 175.059 176.519 -0.164 0.000 1.011 337 W CA -1.563 55.694 57.345 -0.147 0.000 1.392 337 W CB 0.997 30.334 29.460 -0.204 0.000 1.215 337 W HN 0.560 nan 8.180 nan 0.000 0.394 338 W N 8.221 129.420 121.300 -0.168 0.000 2.316 338 W HA 0.292 4.952 4.660 0.000 0.000 0.308 338 W C 0.158 176.670 176.519 -0.012 0.000 1.106 338 W CA -0.810 56.433 57.345 -0.171 0.000 1.262 338 W CB 0.600 29.846 29.460 -0.357 0.000 1.233 338 W HN 0.244 nan 8.180 nan 0.000 0.447 339 N N 6.865 125.384 118.700 -0.301 0.000 3.303 339 N HA 0.082 4.822 4.740 -0.000 0.000 0.304 339 N C -1.572 173.588 175.510 -0.584 0.000 1.302 339 N CA 0.237 53.085 53.050 -0.337 0.000 1.213 339 N CB -0.527 37.782 38.487 -0.296 0.000 1.481 339 N HN 0.333 nan 8.380 nan 0.000 0.546 340 F N 0.932 120.314 119.950 -0.946 0.000 2.615 340 F HA 0.355 4.882 4.527 0.000 0.000 0.312 340 F C -2.265 173.213 175.800 -0.536 0.000 1.119 340 F CA -1.816 55.645 58.000 -0.898 0.000 0.979 340 F CB 2.386 40.478 39.000 -1.513 0.000 1.266 340 F HN -0.053 nan 8.300 nan 0.000 0.444 341 P HA 0.038 nan 4.420 nan 0.000 0.256 341 P C 0.181 177.089 177.300 -0.655 0.000 1.384 341 P CA 0.320 62.613 63.100 -1.345 0.000 0.879 341 P CB 0.292 31.338 31.700 -1.089 0.000 1.403 342 V N 0.992 120.664 119.914 -0.404 0.000 2.726 342 V HA -0.094 4.026 4.120 -0.000 0.000 0.304 342 V C 1.001 176.938 176.094 -0.263 0.000 1.115 342 V CA 1.442 63.592 62.300 -0.251 0.000 1.264 342 V CB -0.087 31.689 31.823 -0.078 0.000 0.867 342 V HN 0.146 nan 8.190 nan 0.000 0.498 343 S N 3.213 118.736 115.700 -0.294 0.000 2.730 343 S HA 0.135 4.605 4.470 -0.000 0.000 0.244 343 S C 0.989 175.415 174.600 -0.289 0.000 1.022 343 S CA 0.191 58.178 58.200 -0.354 0.000 1.014 343 S CB 0.025 63.083 63.200 -0.237 0.000 0.963 343 S HN 1.077 nan 8.310 nan 0.000 0.540 344 D N 1.047 121.369 120.400 -0.130 0.000 2.378 344 D HA -0.151 4.489 4.640 -0.000 0.000 0.222 344 D C 1.048 177.395 176.300 0.079 0.000 0.980 344 D CA 0.641 54.654 54.000 0.023 0.000 0.907 344 D CB -0.451 40.448 40.800 0.165 0.000 0.899 344 D HN 0.698 nan 8.370 nan 0.000 0.527 345 Y N -0.818 119.503 120.300 0.034 0.000 2.467 345 Y HA 0.395 4.945 4.550 -0.000 0.000 0.250 345 Y C 0.482 176.416 175.900 0.058 0.000 1.155 345 Y CA -0.581 57.539 58.100 0.033 0.000 1.249 345 Y CB 0.255 38.762 38.460 0.079 0.000 1.146 345 Y HN -0.038 nan 8.280 nan 0.000 0.524 346 V N -1.824 117.907 119.914 -0.304 0.000 2.719 346 V HA 0.454 4.574 4.120 -0.000 0.000 0.330 346 V C 0.715 176.830 176.094 0.036 0.000 1.224 346 V CA -0.810 61.410 62.300 -0.135 0.000 1.314 346 V CB 0.178 31.814 31.823 -0.312 0.000 1.416 346 V HN 0.249 nan 8.190 nan 0.000 0.651 347 R N 1.380 121.938 120.500 0.096 0.000 2.241 347 R HA -0.072 4.268 4.340 -0.000 0.000 0.224 347 R C 1.422 177.913 176.300 0.318 0.000 1.101 347 R CA 1.608 57.810 56.100 0.170 0.000 0.995 347 R CB 0.009 30.415 30.300 0.177 0.000 0.870 347 R HN 0.866 nan 8.270 nan 0.000 0.463 348 D N -0.788 119.797 120.400 0.308 0.000 2.349 348 D HA -0.065 4.575 4.640 -0.000 0.000 0.224 348 D C 0.219 176.764 176.300 0.409 0.000 1.029 348 D CA 0.534 54.730 54.000 0.327 0.000 0.879 348 D CB -0.098 40.783 40.800 0.136 0.000 0.906 348 D HN 0.225 nan 8.370 nan 0.000 0.528 349 H N -0.008 119.234 119.070 0.286 0.000 2.524 349 H HA 0.412 4.968 4.556 0.000 0.000 0.353 349 H C -0.197 175.035 175.328 -0.161 0.000 1.136 349 H CA -0.853 55.278 56.048 0.139 0.000 1.193 349 H CB 2.281 32.063 29.762 0.034 0.000 1.558 349 H HN -0.090 nan 8.280 nan 0.000 0.515 350 L N 3.600 124.602 121.223 -0.369 0.000 2.307 350 L HA 0.305 4.644 4.340 -0.000 0.000 0.282 350 L C -0.036 176.692 176.870 -0.236 0.000 1.051 350 L CA -0.601 53.940 54.840 -0.498 0.000 0.804 350 L CB 1.115 42.691 42.059 -0.804 0.000 1.197 350 L HN 0.346 nan 8.230 nan 0.000 0.431 351 L N 5.559 126.656 121.223 -0.209 0.000 2.387 351 L HA 0.325 4.665 4.340 -0.000 0.000 0.259 351 L C 0.316 177.133 176.870 -0.088 0.000 1.050 351 L CA -0.078 54.688 54.840 -0.123 0.000 0.922 351 L CB 0.705 42.628 42.059 -0.227 0.000 1.280 351 L HN 0.655 nan 8.230 nan 0.000 0.449 352 L N 1.349 122.574 121.223 0.004 0.000 2.769 352 L HA 0.331 4.671 4.340 -0.000 0.000 0.240 352 L C 1.293 178.376 176.870 0.355 0.000 1.163 352 L CA -0.182 54.719 54.840 0.102 0.000 0.962 352 L CB 0.321 42.375 42.059 -0.009 0.000 1.258 352 L HN 0.553 nan 8.230 nan 0.000 0.513 353 G N 0.583 109.571 108.800 0.313 0.000 2.557 353 G HA2 0.405 4.365 3.960 -0.000 0.000 0.292 353 G HA3 0.405 4.365 3.960 -0.000 0.000 0.292 353 G C -2.497 172.493 174.900 0.149 0.000 1.237 353 G CA -0.988 44.213 45.100 0.168 0.000 0.978 353 G HN -0.140 nan 8.290 nan 0.000 0.498 354 P HA 0.129 nan 4.420 nan 0.000 0.270 354 P C -0.291 177.070 177.300 0.101 0.000 1.223 354 P CA -0.271 62.679 63.100 -0.250 0.000 0.785 354 P CB 0.848 31.957 31.700 -0.985 0.000 0.923 355 V N 4.078 124.140 119.914 0.246 0.000 2.408 355 V HA 0.296 4.416 4.120 -0.000 0.000 0.267 355 V C -0.016 176.190 176.094 0.187 0.000 1.047 355 V CA 0.398 62.848 62.300 0.250 0.000 0.937 355 V CB -0.915 31.148 31.823 0.399 0.000 0.999 355 V HN 0.618 nan 8.190 nan 0.000 0.472 356 Y N 1.907 122.151 120.300 -0.093 0.000 2.689 356 Y HA 0.825 5.375 4.550 -0.000 0.000 0.333 356 Y C 0.630 176.451 175.900 -0.130 0.000 1.208 356 Y CA -0.478 57.550 58.100 -0.120 0.000 1.055 356 Y CB 1.480 39.837 38.460 -0.172 0.000 1.304 356 Y HN 0.722 nan 8.280 nan 0.000 0.455 357 G N 0.796 109.616 108.800 0.033 0.000 2.218 357 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 357 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 357 G C -0.756 174.087 174.900 -0.096 0.000 0.994 357 G CA -0.179 44.912 45.100 -0.014 0.000 0.637 357 G HN 0.705 nan 8.290 nan 0.000 0.505 358 N N 1.758 120.288 118.700 -0.283 0.000 2.455 358 N HA 0.355 5.095 4.740 -0.000 0.000 0.280 358 N C -0.810 174.629 175.510 -0.119 0.000 1.055 358 N CA -0.415 52.436 53.050 -0.331 0.000 0.961 358 N CB 1.484 39.464 38.487 -0.844 0.000 1.121 358 N HN 0.300 nan 8.380 nan 0.000 0.476 359 D N 0.843 121.252 120.400 0.016 0.000 2.493 359 D HA -0.050 4.590 4.640 -0.000 0.000 0.240 359 D C 0.806 177.204 176.300 0.162 0.000 1.142 359 D CA 0.444 54.494 54.000 0.084 0.000 0.872 359 D CB 0.809 41.654 40.800 0.075 0.000 1.173 359 D HN 0.557 nan 8.370 nan 0.000 0.467 360 T N -0.633 114.007 114.554 0.143 0.000 3.144 360 T HA -0.005 4.344 4.350 -0.000 0.000 0.249 360 T C 1.287 175.992 174.700 0.008 0.000 1.089 360 T CA 0.490 62.665 62.100 0.125 0.000 0.989 360 T CB -0.129 68.834 68.868 0.158 0.000 0.992 360 T HN 0.399 nan 8.240 nan 0.000 0.540 361 T N -0.368 114.195 114.554 0.015 0.000 3.084 361 T HA 0.323 4.673 4.350 -0.000 0.000 0.270 361 T C 1.177 175.869 174.700 -0.013 0.000 1.008 361 T CA -0.454 61.643 62.100 -0.005 0.000 0.900 361 T CB -0.692 68.184 68.868 0.014 0.000 1.084 361 T HN 0.648 nan 8.240 nan 0.000 0.538 362 I N -1.693 118.870 120.570 -0.013 0.000 3.889 362 I HA 0.710 4.880 4.170 -0.000 0.000 0.332 362 I C 1.991 178.091 176.117 -0.029 0.000 1.493 362 I CA -0.733 60.568 61.300 0.001 0.000 1.158 362 I CB -0.204 37.824 38.000 0.048 0.000 1.117 362 I HN 0.081 nan 8.210 nan 0.000 0.411 363 A N 2.256 125.021 122.820 -0.093 0.000 1.948 363 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 363 A C 2.307 179.849 177.584 -0.070 0.000 1.177 363 A CA 1.685 53.646 52.037 -0.128 0.000 0.636 363 A CB -0.422 18.466 19.000 -0.188 0.000 0.815 363 A HN 0.533 nan 8.150 nan 0.000 0.449 364 K N -0.433 119.940 120.400 -0.046 0.000 2.362 364 K HA -0.077 4.243 4.320 -0.000 0.000 0.200 364 K C 0.909 177.508 176.600 -0.001 0.000 1.046 364 K CA 1.048 57.321 56.287 -0.024 0.000 0.952 364 K CB 0.052 32.542 32.500 -0.017 0.000 0.753 364 K HN 0.415 nan 8.250 nan 0.000 0.466 365 E N 0.274 120.481 120.200 0.011 0.000 2.479 365 E HA 0.039 4.389 4.350 -0.000 0.000 0.193 365 E C 0.529 177.163 176.600 0.057 0.000 1.049 365 E CA 0.322 56.742 56.400 0.034 0.000 0.870 365 E CB 0.071 29.798 29.700 0.046 0.000 0.944 365 E HN 0.425 nan 8.360 nan 0.000 0.492 366 M N -1.952 117.680 119.600 0.053 0.000 2.395 366 M HA 0.512 4.991 4.480 -0.000 0.000 0.307 366 M C 0.429 176.762 176.300 0.055 0.000 1.091 366 M CA -0.613 54.738 55.300 0.084 0.000 0.919 366 M CB 2.287 34.964 32.600 0.127 0.000 1.662 366 M HN -0.405 nan 8.290 nan 0.000 0.440 367 S N 1.571 117.325 115.700 0.090 0.000 2.436 367 S HA 0.310 4.780 4.470 -0.000 0.000 0.228 367 S C 0.743 175.342 174.600 -0.002 0.000 1.014 367 S CA 0.860 59.125 58.200 0.108 0.000 0.950 367 S CB 0.049 63.407 63.200 0.263 0.000 0.784 367 S HN 0.962 nan 8.310 nan 0.000 0.504 368 G N -0.257 108.420 108.800 -0.206 0.000 2.623 368 G HA2 0.592 4.552 3.960 -0.000 0.000 0.290 368 G HA3 0.592 4.552 3.960 -0.000 0.000 0.290 368 G C -2.147 172.634 174.900 -0.198 0.000 1.437 368 G CA -0.680 44.131 45.100 -0.481 0.000 0.798 368 G HN 0.127 nan 8.290 nan 0.000 0.488 369 F N 1.290 121.099 119.950 -0.235 0.000 2.730 369 F HA 0.554 5.080 4.527 -0.000 0.000 0.335 369 F C -0.430 175.389 175.800 0.031 0.000 1.212 369 F CA -0.769 57.216 58.000 -0.025 0.000 1.016 369 F CB 1.857 40.870 39.000 0.023 0.000 1.290 369 F HN 0.592 nan 8.300 nan 0.000 0.495 370 V N 2.157 122.014 119.914 -0.096 0.000 2.769 370 V HA 0.758 4.878 4.120 -0.000 0.000 0.312 370 V C -0.523 175.495 176.094 -0.126 0.000 1.061 370 V CA -0.577 61.707 62.300 -0.027 0.000 0.931 370 V CB 1.390 33.193 31.823 -0.033 0.000 1.010 370 V HN 0.766 nan 8.190 nan 0.000 0.433 371 T N 2.561 117.130 114.554 0.024 0.000 2.799 371 T HA 0.392 4.742 4.350 -0.000 0.000 0.286 371 T C -0.249 174.365 174.700 -0.143 0.000 0.973 371 T CA -0.338 61.807 62.100 0.075 0.000 1.035 371 T CB 0.694 69.740 68.868 0.297 0.000 0.932 371 T HN 0.976 nan 8.240 nan 0.000 0.469 372 N N 6.147 124.710 118.700 -0.228 0.000 2.420 372 N HA 0.445 5.185 4.740 -0.000 0.000 0.249 372 N C -2.338 173.100 175.510 -0.120 0.000 1.033 372 N CA -1.921 50.974 53.050 -0.258 0.000 0.944 372 N CB 1.200 39.551 38.487 -0.225 0.000 1.113 372 N HN 0.421 nan 8.380 nan 0.000 0.502 373 P HA 0.294 nan 4.420 nan 0.000 0.310 373 P C -0.259 176.917 177.300 -0.208 0.000 1.309 373 P CA -0.535 62.552 63.100 -0.021 0.000 0.769 373 P CB 1.273 33.140 31.700 0.278 0.000 1.327 374 M N 0.050 119.515 119.600 -0.224 0.000 2.247 374 M HA 0.108 4.588 4.480 -0.000 0.000 0.326 374 M C 1.842 177.735 176.300 -0.679 0.000 1.134 374 M CA 0.038 55.075 55.300 -0.438 0.000 1.136 374 M CB 0.303 32.754 32.600 -0.248 0.000 1.454 374 M HN 0.461 nan 8.290 nan 0.000 0.467 375 E N 0.292 119.854 120.200 -1.063 0.000 2.333 375 E HA -0.149 4.200 4.350 -0.000 0.000 0.198 375 E C -0.240 176.196 176.600 -0.274 0.000 1.007 375 E CA 1.009 56.888 56.400 -0.868 0.000 0.845 375 E CB -0.143 29.170 29.700 -0.645 0.000 0.766 375 E HN 0.512 nan 8.360 nan 0.000 0.507 376 H N 0.697 119.730 119.070 -0.063 0.000 3.067 376 H HA 0.295 4.851 4.556 -0.000 0.000 0.265 376 H C 0.741 175.994 175.328 -0.125 0.000 1.234 376 H CA 0.319 56.315 56.048 -0.087 0.000 1.452 376 H CB 1.173 30.828 29.762 -0.180 0.000 1.527 376 H HN 0.272 nan 8.280 nan 0.000 0.486 377 A N 3.780 126.453 122.820 -0.244 0.000 1.855 377 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 377 A C 2.141 179.437 177.584 -0.480 0.000 1.191 377 A CA 0.826 52.423 52.037 -0.734 0.000 0.613 377 A CB 0.088 18.192 19.000 -1.494 0.000 0.829 377 A HN 0.523 nan 8.150 nan 0.000 0.442 378 E N 0.441 120.418 120.200 -0.371 0.000 2.110 378 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 378 E C 2.310 178.758 176.600 -0.253 0.000 0.988 378 E CA 1.330 57.531 56.400 -0.332 0.000 0.804 378 E CB -0.514 29.022 29.700 -0.272 0.000 0.745 378 E HN 0.542 nan 8.360 nan 0.000 0.458 379 S N 1.131 116.725 115.700 -0.177 0.000 2.400 379 S HA -0.096 4.374 4.470 -0.000 0.000 0.232 379 S C 2.096 176.633 174.600 -0.106 0.000 1.025 379 S CA 0.939 59.057 58.200 -0.136 0.000 0.993 379 S CB -0.115 63.004 63.200 -0.135 0.000 0.808 379 S HN 0.149 nan 8.310 nan 0.000 0.478 380 S N 1.132 116.780 115.700 -0.086 0.000 2.474 380 S HA 0.014 4.484 4.470 -0.000 0.000 0.235 380 S C 1.635 176.252 174.600 0.027 0.000 0.997 380 S CA 0.628 58.818 58.200 -0.016 0.000 0.949 380 S CB -0.097 63.156 63.200 0.088 0.000 0.766 380 S HN 0.481 nan 8.310 nan 0.000 0.517 381 K N 1.011 121.358 120.400 -0.089 0.000 2.209 381 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 381 K C 1.726 178.409 176.600 0.138 0.000 1.048 381 K CA 0.943 57.172 56.287 -0.096 0.000 0.940 381 K CB -0.292 31.846 32.500 -0.603 0.000 0.729 381 K HN 0.371 nan 8.250 nan 0.000 0.451 382 I N 0.914 121.525 120.570 0.068 0.000 2.127 382 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 382 I C 2.489 178.792 176.117 0.311 0.000 1.075 382 I CA 1.428 62.803 61.300 0.124 0.000 1.334 382 I CB -0.349 37.694 38.000 0.072 0.000 1.040 382 I HN 0.161 nan 8.210 nan 0.000 0.405 383 A N 0.647 123.652 122.820 0.309 0.000 1.929 383 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 383 A C 2.274 180.121 177.584 0.438 0.000 1.176 383 A CA 1.192 53.480 52.037 0.418 0.000 0.628 383 A CB -0.735 18.470 19.000 0.342 0.000 0.816 383 A HN 0.368 nan 8.150 nan 0.000 0.444 384 I N -1.888 118.924 120.570 0.402 0.000 2.163 384 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 384 I C 2.458 178.859 176.117 0.473 0.000 1.085 384 I CA 1.904 63.468 61.300 0.440 0.000 1.347 384 I CB -0.461 37.838 38.000 0.499 0.000 1.044 384 I HN 0.551 nan 8.210 nan 0.000 0.408 385 Y N 1.355 121.903 120.300 0.413 0.000 2.207 385 Y HA -0.305 4.245 4.550 -0.000 0.000 0.287 385 Y C 2.717 178.751 175.900 0.223 0.000 1.156 385 Y CA 1.991 60.252 58.100 0.269 0.000 1.182 385 Y CB -0.020 38.633 38.460 0.323 0.000 0.979 385 Y HN 0.073 nan 8.280 nan 0.000 0.521 386 S N -0.783 115.242 115.700 0.541 0.000 2.371 386 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 386 S C 2.015 176.784 174.600 0.282 0.000 1.029 386 S CA 1.191 59.682 58.200 0.485 0.000 0.978 386 S CB -0.504 63.020 63.200 0.540 0.000 0.833 386 S HN 0.318 nan 8.310 nan 0.000 0.466 387 V N 2.267 122.343 119.914 0.269 0.000 2.343 387 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 387 V C 2.686 178.846 176.094 0.111 0.000 1.051 387 V CA 1.649 64.058 62.300 0.183 0.000 1.036 387 V CB -1.255 30.803 31.823 0.391 0.000 0.654 387 V HN 0.528 nan 8.190 nan 0.000 0.451 388 A N -0.519 122.363 122.820 0.103 0.000 1.917 388 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 388 A C 2.576 180.144 177.584 -0.027 0.000 1.182 388 A CA 2.509 54.551 52.037 0.007 0.000 0.633 388 A CB -0.850 18.094 19.000 -0.094 0.000 0.819 388 A HN 0.503 nan 8.150 nan 0.000 0.448 389 S N -2.024 113.659 115.700 -0.028 0.000 2.355 389 S HA -0.195 4.275 4.470 -0.000 0.000 0.222 389 S C 1.932 176.582 174.600 0.084 0.000 1.031 389 S CA 1.621 59.838 58.200 0.029 0.000 0.993 389 S CB -0.580 62.698 63.200 0.129 0.000 0.859 389 S HN 0.687 nan 8.310 nan 0.000 0.453 390 Y N 2.087 122.254 120.300 -0.221 0.000 2.128 390 Y HA -0.056 4.494 4.550 -0.000 0.000 0.284 390 Y C 2.382 178.052 175.900 -0.382 0.000 1.154 390 Y CA 1.578 59.342 58.100 -0.559 0.000 1.149 390 Y CB -1.007 36.757 38.460 -1.160 0.000 0.976 390 Y HN 0.298 nan 8.280 nan 0.000 0.505 391 A N 0.421 122.991 122.820 -0.416 0.000 1.969 391 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 391 A C 2.227 179.653 177.584 -0.263 0.000 1.169 391 A CA 1.270 53.037 52.037 -0.449 0.000 0.635 391 A CB -1.472 17.425 19.000 -0.171 0.000 0.810 391 A HN 0.855 nan 8.150 nan 0.000 0.445 392 W N 0.208 121.336 121.300 -0.287 0.000 2.407 392 W HA 0.023 4.683 4.660 -0.000 0.000 0.305 392 W C -0.082 176.279 176.519 -0.264 0.000 1.196 392 W CA 1.485 58.686 57.345 -0.240 0.000 1.311 392 W CB 0.009 29.340 29.460 -0.216 0.000 1.135 392 W HN 0.371 nan 8.180 nan 0.000 0.514 393 N N 0.370 119.068 118.700 -0.002 0.000 2.750 393 N HA 0.162 4.901 4.740 -0.000 0.000 0.253 393 N C -2.028 173.414 175.510 -0.113 0.000 1.408 393 N CA -1.680 51.322 53.050 -0.080 0.000 0.780 393 N CB 0.863 39.399 38.487 0.081 0.000 1.191 393 N HN -0.156 nan 8.380 nan 0.000 0.511 394 P HA -0.067 nan 4.420 nan 0.000 0.217 394 P C 1.079 178.349 177.300 -0.049 0.000 1.150 394 P CA 0.822 63.736 63.100 -0.310 0.000 0.832 394 P CB 0.316 31.628 31.700 -0.646 0.000 0.787 395 A N 0.192 122.968 122.820 -0.074 0.000 2.019 395 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 395 A C 1.871 179.468 177.584 0.022 0.000 1.164 395 A CA 1.548 53.574 52.037 -0.019 0.000 0.644 395 A CB -0.733 18.239 19.000 -0.045 0.000 0.805 395 A HN 0.036 nan 8.150 nan 0.000 0.449 396 K N -1.075 119.343 120.400 0.031 0.000 2.397 396 K HA 0.157 4.477 4.320 -0.000 0.000 0.202 396 K C -0.391 176.267 176.600 0.096 0.000 1.022 396 K CA -0.539 55.777 56.287 0.048 0.000 1.141 396 K CB -0.630 31.885 32.500 0.024 0.000 0.857 396 K HN 0.528 nan 8.250 nan 0.000 0.514 397 Y N 2.553 122.868 120.300 0.026 0.000 2.569 397 Y HA 0.015 4.565 4.550 -0.000 0.000 0.332 397 Y C -0.247 175.696 175.900 0.072 0.000 1.120 397 Y CA -0.604 57.537 58.100 0.069 0.000 1.416 397 Y CB 0.337 38.884 38.460 0.147 0.000 1.210 397 Y HN -0.030 nan 8.280 nan 0.000 0.528 398 D N 4.978 125.041 120.400 -0.561 0.000 2.461 398 D HA 0.156 4.796 4.640 -0.000 0.000 0.240 398 D C 0.606 176.518 176.300 -0.647 0.000 1.094 398 D CA -0.167 53.581 54.000 -0.419 0.000 0.868 398 D CB 1.260 41.977 40.800 -0.139 0.000 1.062 398 D HN 0.776 nan 8.370 nan 0.000 0.530 399 T N 2.107 116.260 114.554 -0.669 0.000 2.607 399 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 399 T C 1.576 176.133 174.700 -0.238 0.000 1.049 399 T CA 1.295 63.099 62.100 -0.493 0.000 1.162 399 T CB -0.348 68.268 68.868 -0.419 0.000 0.863 399 T HN 0.541 nan 8.240 nan 0.000 0.424 400 W N 1.012 122.269 121.300 -0.071 0.000 2.409 400 W HA 0.027 4.687 4.660 -0.000 0.000 0.299 400 W C 2.940 179.546 176.519 0.145 0.000 1.203 400 W CA 0.309 57.675 57.345 0.036 0.000 1.298 400 W CB -0.352 29.090 29.460 -0.030 0.000 1.127 400 W HN 0.154 nan 8.180 nan 0.000 0.528 401 Q N 0.034 119.994 119.800 0.266 0.000 2.124 401 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 401 Q C 1.943 178.066 176.000 0.205 0.000 0.977 401 Q CA 2.369 58.294 55.803 0.202 0.000 0.850 401 Q CB -0.732 28.073 28.738 0.111 0.000 0.901 401 Q HN 0.092 nan 8.270 nan 0.000 0.429 402 T N -0.601 114.059 114.554 0.177 0.000 2.821 402 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 402 T C 0.996 175.904 174.700 0.347 0.000 1.046 402 T CA 1.096 63.361 62.100 0.275 0.000 1.139 402 T CB -0.529 68.488 68.868 0.248 0.000 0.871 402 T HN 0.534 nan 8.240 nan 0.000 0.454 403 W N 2.399 123.773 121.300 0.123 0.000 2.333 403 W HA -0.133 4.527 4.660 -0.000 0.000 0.316 403 W C 2.081 178.646 176.519 0.077 0.000 1.215 403 W CA 1.168 58.575 57.345 0.103 0.000 1.278 403 W CB -0.192 29.302 29.460 0.057 0.000 1.154 403 W HN 0.125 nan 8.180 nan 0.000 0.486 404 K N -0.254 120.255 120.400 0.180 0.000 2.057 404 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 404 K C 1.604 178.127 176.600 -0.128 0.000 1.049 404 K CA 1.829 58.081 56.287 -0.058 0.000 0.931 404 K CB -0.521 32.059 32.500 0.134 0.000 0.714 404 K HN 0.074 nan 8.250 nan 0.000 0.440 405 D N 0.742 121.126 120.400 -0.025 0.000 2.117 405 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 405 D C 1.874 177.939 176.300 -0.392 0.000 0.987 405 D CA 1.402 55.368 54.000 -0.056 0.000 0.829 405 D CB -0.267 40.640 40.800 0.178 0.000 0.961 405 D HN 0.225 nan 8.370 nan 0.000 0.460 406 A N 0.774 123.203 122.820 -0.652 0.000 1.877 406 A HA -0.147 4.172 4.320 -0.000 0.000 0.216 406 A C 2.406 179.655 177.584 -0.558 0.000 1.186 406 A CA 0.992 52.375 52.037 -1.091 0.000 0.620 406 A CB -0.775 17.895 19.000 -0.549 0.000 0.822 406 A HN 0.188 nan 8.150 nan 0.000 0.443 407 I N -1.054 119.239 120.570 -0.461 0.000 2.226 407 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 407 I C 2.686 178.638 176.117 -0.275 0.000 1.100 407 I CA 1.788 62.852 61.300 -0.393 0.000 1.374 407 I CB -0.205 37.466 38.000 -0.547 0.000 1.057 407 I HN 0.327 nan 8.210 nan 0.000 0.413 408 R N 0.751 121.105 120.500 -0.242 0.000 2.115 408 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 408 R C 2.057 178.280 176.300 -0.130 0.000 1.111 408 R CA 1.974 57.981 56.100 -0.156 0.000 0.976 408 R CB -0.718 29.513 30.300 -0.115 0.000 0.870 408 R HN 0.217 nan 8.270 nan 0.000 0.445 409 T N 0.336 114.792 114.554 -0.163 0.000 2.812 409 T HA 0.031 4.381 4.350 -0.000 0.000 0.264 409 T C 1.740 176.410 174.700 -0.050 0.000 1.042 409 T CA 1.493 63.545 62.100 -0.079 0.000 1.140 409 T CB -0.100 68.728 68.868 -0.067 0.000 0.870 409 T HN 0.154 nan 8.240 nan 0.000 0.445 410 I N -0.094 120.410 120.570 -0.110 0.000 2.286 410 I HA 0.032 4.202 4.170 -0.000 0.000 0.245 410 I C 0.650 176.695 176.117 -0.120 0.000 1.104 410 I CA 0.868 62.098 61.300 -0.117 0.000 1.397 410 I CB 0.198 38.088 38.000 -0.183 0.000 1.072 410 I HN 0.102 nan 8.210 nan 0.000 0.417 411 L N 1.328 122.474 121.223 -0.128 0.000 2.551 411 L HA 0.340 4.680 4.340 -0.000 0.000 0.248 411 L C -1.902 174.910 176.870 -0.097 0.000 1.509 411 L CA -1.398 53.375 54.840 -0.113 0.000 0.842 411 L CB 0.621 42.604 42.059 -0.127 0.000 1.087 411 L HN -0.193 nan 8.230 nan 0.000 0.512 412 P HA -0.154 nan 4.420 nan 0.000 0.216 412 P C 1.363 178.626 177.300 -0.060 0.000 1.150 412 P CA 1.507 64.566 63.100 -0.068 0.000 0.837 412 P CB 0.166 31.834 31.700 -0.053 0.000 0.786 413 S N -1.223 114.442 115.700 -0.059 0.000 2.522 413 S HA 0.210 4.680 4.470 -0.000 0.000 0.227 413 S C 1.443 176.012 174.600 -0.052 0.000 0.986 413 S CA 0.600 58.770 58.200 -0.051 0.000 0.929 413 S CB -0.547 62.624 63.200 -0.048 0.000 0.769 413 S HN 0.161 nan 8.310 nan 0.000 0.529 414 A N -0.134 122.648 122.820 -0.064 0.000 2.843 414 A HA 0.861 5.181 4.320 -0.000 0.000 0.248 414 A C 1.291 178.832 177.584 -0.072 0.000 0.904 414 A CA 0.101 52.100 52.037 -0.063 0.000 1.091 414 A CB -0.326 18.632 19.000 -0.071 0.000 1.208 414 A HN 0.460 nan 8.150 nan 0.000 0.476 415 A N 0.493 123.268 122.820 -0.075 0.000 1.902 415 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 415 A C 1.688 179.220 177.584 -0.086 0.000 1.181 415 A CA 1.926 53.903 52.037 -0.100 0.000 0.623 415 A CB -0.297 18.644 19.000 -0.099 0.000 0.818 415 A HN 0.582 nan 8.150 nan 0.000 0.443 416 E N -0.327 119.846 120.200 -0.044 0.000 2.150 416 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 416 E C 1.934 178.542 176.600 0.014 0.000 0.985 416 E CA 1.294 57.688 56.400 -0.009 0.000 0.814 416 E CB -0.119 29.590 29.700 0.014 0.000 0.752 416 E HN 0.637 nan 8.360 nan 0.000 0.466 417 E N 0.545 120.746 120.200 0.002 0.000 2.072 417 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 417 E C 1.816 178.429 176.600 0.022 0.000 0.985 417 E CA 0.486 56.899 56.400 0.022 0.000 0.801 417 E CB -0.158 29.537 29.700 -0.009 0.000 0.750 417 E HN 0.100 nan 8.360 nan 0.000 0.452 418 L N 1.203 122.406 121.223 -0.035 0.000 2.093 418 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 418 L C 1.781 178.639 176.870 -0.020 0.000 1.085 418 L CA 1.796 56.615 54.840 -0.035 0.000 0.755 418 L CB -0.301 41.693 42.059 -0.108 0.000 0.904 418 L HN 0.093 nan 8.230 nan 0.000 0.435 419 E N -1.307 118.846 120.200 -0.079 0.000 2.077 419 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 419 E C 2.337 179.037 176.600 0.167 0.000 0.989 419 E CA 1.518 57.884 56.400 -0.057 0.000 0.800 419 E CB -0.407 29.259 29.700 -0.057 0.000 0.746 419 E HN 0.703 nan 8.360 nan 0.000 0.452 420 C N 0.384 119.778 119.300 0.157 0.000 2.436 420 C HA -0.186 4.274 4.460 -0.000 0.000 0.277 420 C C 2.496 177.668 174.990 0.304 0.000 1.241 420 C CA 0.822 59.985 59.018 0.241 0.000 1.721 420 C CB -1.187 26.718 27.740 0.275 0.000 2.043 420 C HN 0.482 nan 8.230 nan 0.000 0.472 421 F N 2.190 122.131 119.950 -0.016 0.000 2.095 421 F HA 0.006 4.533 4.527 0.000 0.000 0.298 421 F C 2.308 178.027 175.800 -0.134 0.000 1.104 421 F CA 2.010 59.780 58.000 -0.383 0.000 1.232 421 F CB -0.844 37.853 39.000 -0.506 0.000 0.987 421 F HN 0.271 nan 8.300 nan 0.000 0.475 422 A N 0.003 122.805 122.820 -0.030 0.000 1.930 422 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 422 A C 2.173 179.846 177.584 0.147 0.000 1.175 422 A CA 1.752 53.809 52.037 0.034 0.000 0.627 422 A CB -0.928 18.234 19.000 0.269 0.000 0.815 422 A HN 0.505 nan 8.150 nan 0.000 0.443 423 M N -0.326 119.386 119.600 0.186 0.000 2.202 423 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 423 M C 1.110 177.276 176.300 -0.223 0.000 1.063 423 M CA 1.645 56.917 55.300 -0.047 0.000 1.097 423 M CB -0.556 31.914 32.600 -0.217 0.000 1.382 423 M HN 0.520 nan 8.290 nan 0.000 0.413 424 H N -1.093 118.059 119.070 0.137 0.000 2.549 424 H HA 0.391 4.947 4.556 -0.000 0.000 0.279 424 H C -0.209 175.142 175.328 0.039 0.000 1.018 424 H CA 0.023 56.157 56.048 0.142 0.000 1.175 424 H CB -0.127 29.822 29.762 0.312 0.000 1.485 424 H HN 0.393 nan 8.280 nan 0.000 0.543 425 N N 0.794 119.471 118.700 -0.039 0.000 2.733 425 N HA 0.060 4.800 4.740 -0.000 0.000 0.271 425 N C 0.188 175.665 175.510 -0.056 0.000 1.720 425 N CA 0.174 53.142 53.050 -0.136 0.000 0.803 425 N CB 1.405 39.570 38.487 -0.537 0.000 1.208 425 N HN 0.202 nan 8.380 nan 0.000 0.498 426 S N -1.994 113.736 115.700 0.050 0.000 2.691 426 S HA 0.084 4.554 4.470 -0.000 0.000 0.258 426 S C 0.296 174.965 174.600 0.116 0.000 1.078 426 S CA -0.122 58.133 58.200 0.091 0.000 1.000 426 S CB 0.847 64.096 63.200 0.081 0.000 0.942 426 S HN 0.191 nan 8.310 nan 0.000 0.521 427 D N 0.822 121.287 120.400 0.109 0.000 2.329 427 D HA 0.479 5.119 4.640 -0.000 0.000 0.246 427 D C 0.576 176.891 176.300 0.024 0.000 1.111 427 D CA -0.428 53.618 54.000 0.077 0.000 0.941 427 D CB 0.995 41.843 40.800 0.079 0.000 1.169 427 D HN 0.038 nan 8.370 nan 0.000 0.441 428 L N 1.569 122.740 121.223 -0.087 0.000 2.529 428 L HA 0.356 4.696 4.340 -0.000 0.000 0.223 428 L C 1.412 177.904 176.870 -0.631 0.000 1.113 428 L CA 0.709 55.350 54.840 -0.331 0.000 0.861 428 L CB -0.835 41.172 42.059 -0.087 0.000 1.012 428 L HN 0.748 nan 8.230 nan 0.000 0.461 429 G N 0.038 108.679 108.800 -0.265 0.000 2.888 429 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.441 429 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.441 429 G C -2.604 172.273 174.900 -0.038 0.000 1.461 429 G CA -0.815 44.227 45.100 -0.097 0.000 0.897 429 G HN 0.045 nan 8.290 nan 0.000 0.547 430 P HA 0.342 nan 4.420 nan 0.000 0.268 430 P C -0.057 177.277 177.300 0.058 0.000 1.205 430 P CA 0.063 63.190 63.100 0.046 0.000 0.771 430 P CB 0.715 32.447 31.700 0.053 0.000 0.858 431 N N -1.041 117.706 118.700 0.080 0.000 2.927 431 N HA 0.400 5.140 4.740 -0.000 0.000 0.248 431 N C 0.897 176.441 175.510 0.056 0.000 1.443 431 N CA -1.003 52.109 53.050 0.104 0.000 0.870 431 N CB -0.074 38.549 38.487 0.227 0.000 1.444 431 N HN 0.187 nan 8.380 nan 0.000 0.519 432 G N -1.337 107.450 108.800 -0.023 0.000 2.509 432 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 432 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 432 G C 0.393 175.182 174.900 -0.186 0.000 1.124 432 G CA 0.666 45.687 45.100 -0.133 0.000 0.776 432 G HN 0.669 nan 8.290 nan 0.000 0.547 433 H N 0.004 119.052 119.070 -0.036 0.000 2.539 433 H HA 0.158 4.714 4.556 -0.000 0.000 0.269 433 H C 2.286 177.616 175.328 0.003 0.000 0.980 433 H CA 0.216 56.201 56.048 -0.106 0.000 1.152 433 H CB 0.107 29.661 29.762 -0.346 0.000 1.407 433 H HN 0.367 nan 8.280 nan 0.000 0.564 434 G N 0.962 109.850 108.800 0.147 0.000 2.187 434 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.261 434 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.261 434 G C -0.076 174.927 174.900 0.170 0.000 1.000 434 G CA 0.632 45.808 45.100 0.127 0.000 0.718 434 G HN 0.504 nan 8.290 nan 0.000 0.519 435 Y N 1.417 121.768 120.300 0.085 0.000 2.320 435 Y HA 0.705 5.255 4.550 -0.000 0.000 0.334 435 Y C 0.506 176.450 175.900 0.074 0.000 1.055 435 Y CA -1.083 57.057 58.100 0.067 0.000 1.143 435 Y CB 0.725 39.231 38.460 0.077 0.000 1.193 435 Y HN 0.181 nan 8.280 nan 0.000 0.477 436 R N 4.990 125.261 120.500 -0.381 0.000 2.808 436 R HA 0.588 4.928 4.340 -0.000 0.000 0.272 436 R C -1.061 175.012 176.300 -0.378 0.000 0.995 436 R CA -1.122 54.833 56.100 -0.242 0.000 0.917 436 R CB 2.164 32.404 30.300 -0.100 0.000 1.217 436 R HN 0.692 nan 8.270 nan 0.000 0.471 437 R N 0.810 121.216 120.500 -0.157 0.000 2.837 437 R HA 0.263 4.603 4.340 -0.000 0.000 0.271 437 R C -0.250 176.079 176.300 0.047 0.000 0.993 437 R CA -0.912 55.150 56.100 -0.063 0.000 0.931 437 R CB 2.011 32.304 30.300 -0.011 0.000 1.206 437 R HN 0.775 nan 8.270 nan 0.000 0.474 438 E N 0.817 121.089 120.200 0.120 0.000 2.392 438 E HA 0.248 4.598 4.350 -0.000 0.000 0.259 438 E C -0.768 175.877 176.600 0.075 0.000 1.108 438 E CA -0.374 56.070 56.400 0.074 0.000 0.916 438 E CB 1.321 31.044 29.700 0.038 0.000 0.989 438 E HN 0.518 nan 8.360 nan 0.000 0.432 439 E N 1.139 121.387 120.200 0.079 0.000 2.354 439 E HA 0.152 4.502 4.350 -0.000 0.000 0.283 439 E C -1.218 175.455 176.600 0.121 0.000 0.938 439 E CA -0.555 55.904 56.400 0.099 0.000 0.777 439 E CB 1.359 31.131 29.700 0.120 0.000 1.222 439 E HN 0.620 nan 8.360 nan 0.000 0.423 440 S N 3.294 119.079 115.700 0.141 0.000 3.641 440 S HA -0.189 4.281 4.470 -0.000 0.000 0.346 440 S C 1.004 175.673 174.600 0.114 0.000 1.074 440 S CA 0.941 59.278 58.200 0.228 0.000 1.026 440 S CB -0.857 62.537 63.200 0.324 0.000 0.908 440 S HN 0.650 nan 8.310 nan 0.000 0.479 441 M N 0.449 120.076 119.600 0.046 0.000 2.296 441 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 441 M C 1.656 177.948 176.300 -0.014 0.000 1.064 441 M CA 1.401 56.708 55.300 0.011 0.000 1.109 441 M CB -0.816 31.778 32.600 -0.011 0.000 1.396 441 M HN 0.258 nan 8.290 nan 0.000 0.430 442 D N 0.760 121.143 120.400 -0.028 0.000 2.144 442 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 442 D C 1.816 178.114 176.300 -0.002 0.000 0.978 442 D CA 1.151 55.129 54.000 -0.037 0.000 0.833 442 D CB -0.162 40.610 40.800 -0.047 0.000 0.961 442 D HN 0.576 nan 8.370 nan 0.000 0.470 443 I N -1.817 118.772 120.570 0.031 0.000 3.728 443 I HA 0.073 4.243 4.170 -0.000 0.000 0.307 443 I C 2.000 178.121 176.117 0.007 0.000 1.276 443 I CA 0.135 61.439 61.300 0.006 0.000 1.285 443 I CB 0.028 38.020 38.000 -0.013 0.000 1.038 443 I HN -0.220 nan 8.210 nan 0.000 0.445 444 Q N 2.267 122.082 119.800 0.026 0.000 2.096 444 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 444 Q C -0.417 175.606 176.000 0.039 0.000 0.982 444 Q CA 2.321 58.146 55.803 0.037 0.000 0.850 444 Q CB -1.027 27.736 28.738 0.041 0.000 0.901 444 Q HN 0.419 nan 8.270 nan 0.000 0.422 445 P HA -0.049 nan 4.420 nan 0.000 0.216 445 P C 0.934 178.268 177.300 0.056 0.000 1.153 445 P CA 1.961 65.086 63.100 0.040 0.000 0.844 445 P CB -0.357 31.358 31.700 0.025 0.000 0.787 446 A N 0.152 122.995 122.820 0.039 0.000 1.933 446 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 446 A C 2.324 179.954 177.584 0.078 0.000 1.175 446 A CA 2.177 54.243 52.037 0.049 0.000 0.628 446 A CB -1.621 17.377 19.000 -0.005 0.000 0.814 446 A HN 0.196 nan 8.150 nan 0.000 0.444 447 A N -0.527 122.319 122.820 0.043 0.000 1.898 447 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 447 A C 2.014 179.697 177.584 0.166 0.000 1.181 447 A CA 1.791 53.871 52.037 0.071 0.000 0.620 447 A CB -0.521 18.498 19.000 0.032 0.000 0.819 447 A HN 0.636 nan 8.150 nan 0.000 0.442 448 E N -0.500 119.776 120.200 0.127 0.000 2.077 448 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 448 E C 2.340 179.031 176.600 0.153 0.000 0.989 448 E CA 1.003 57.481 56.400 0.129 0.000 0.800 448 E CB -0.056 29.700 29.700 0.092 0.000 0.746 448 E HN 0.542 nan 8.360 nan 0.000 0.452 449 R N -0.431 120.164 120.500 0.159 0.000 2.062 449 R HA -0.130 4.209 4.340 -0.000 0.000 0.231 449 R C 2.371 178.807 176.300 0.227 0.000 1.136 449 R CA 1.408 57.609 56.100 0.169 0.000 0.948 449 R CB -0.587 29.808 30.300 0.157 0.000 0.845 449 R HN 0.243 nan 8.270 nan 0.000 0.430 450 F N 1.495 121.515 119.950 0.117 0.000 2.087 450 F HA -0.278 4.249 4.527 -0.000 0.000 0.299 450 F C 1.998 177.917 175.800 0.198 0.000 1.100 450 F CA 1.484 59.563 58.000 0.132 0.000 1.226 450 F CB -0.236 38.771 39.000 0.011 0.000 0.983 450 F HN -0.028 nan 8.300 nan 0.000 0.479 451 L N 0.486 121.859 121.223 0.250 0.000 2.179 451 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 451 L C 2.259 179.223 176.870 0.156 0.000 1.096 451 L CA 1.545 56.507 54.840 0.204 0.000 0.779 451 L CB -1.018 41.208 42.059 0.278 0.000 0.922 451 L HN 0.074 nan 8.230 nan 0.000 0.443 452 K N -0.784 119.698 120.400 0.136 0.000 1.965 452 K HA -0.170 4.150 4.320 -0.000 0.000 0.214 452 K C 2.052 178.712 176.600 0.100 0.000 1.046 452 K CA 1.506 57.857 56.287 0.107 0.000 0.944 452 K CB -0.461 32.096 32.500 0.096 0.000 0.726 452 K HN 0.380 nan 8.250 nan 0.000 0.441 453 A N 1.486 124.372 122.820 0.109 0.000 1.882 453 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 453 A C 2.072 179.737 177.584 0.135 0.000 1.253 453 A CA 2.252 54.360 52.037 0.118 0.000 0.664 453 A CB -1.218 17.882 19.000 0.167 0.000 0.838 453 A HN 0.462 nan 8.150 nan 0.000 0.460 454 F N 0.670 120.589 119.950 -0.051 0.000 2.069 454 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 454 F C 2.263 178.153 175.800 0.149 0.000 1.113 454 F CA 2.289 60.280 58.000 -0.015 0.000 1.214 454 F CB -0.376 38.421 39.000 -0.339 0.000 0.978 454 F HN 0.190 nan 8.300 nan 0.000 0.474 455 K N 0.170 120.585 120.400 0.025 0.000 1.978 455 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 455 K C 2.117 178.742 176.600 0.041 0.000 1.049 455 K CA 2.075 58.357 56.287 -0.009 0.000 0.939 455 K CB -0.613 31.922 32.500 0.057 0.000 0.721 455 K HN 0.551 nan 8.250 nan 0.000 0.441 456 E N -0.428 119.793 120.200 0.035 0.000 2.265 456 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 456 E C 1.038 177.625 176.600 -0.021 0.000 0.996 456 E CA 1.167 57.578 56.400 0.019 0.000 0.832 456 E CB 0.066 29.780 29.700 0.024 0.000 0.756 456 E HN 0.472 nan 8.360 nan 0.000 0.491 457 G N 1.091 109.863 108.800 -0.046 0.000 2.211 457 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.201 457 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.201 457 G C 0.148 175.007 174.900 -0.069 0.000 0.997 457 G CA 0.004 45.038 45.100 -0.111 0.000 0.652 457 G HN 0.311 nan 8.290 nan 0.000 0.500 458 K N 1.966 122.353 120.400 -0.021 0.000 2.218 458 K HA 0.467 4.787 4.320 -0.000 0.000 0.276 458 K C 0.923 177.532 176.600 0.014 0.000 1.022 458 K CA -0.178 56.105 56.287 -0.007 0.000 0.946 458 K CB 0.120 32.628 32.500 0.013 0.000 1.000 458 K HN 0.593 nan 8.250 nan 0.000 0.468 459 N N 2.268 120.955 118.700 -0.023 0.000 2.513 459 N HA 0.164 4.904 4.740 -0.000 0.000 0.274 459 N C -0.700 174.795 175.510 -0.024 0.000 1.189 459 N CA -0.842 52.162 53.050 -0.076 0.000 0.975 459 N CB 0.395 38.765 38.487 -0.194 0.000 1.157 459 N HN 0.475 nan 8.380 nan 0.000 0.465 460 Y N -1.777 118.567 120.300 0.073 0.000 2.354 460 Y HA 0.355 4.905 4.550 -0.000 0.000 0.322 460 Y C -0.080 175.898 175.900 0.129 0.000 1.253 460 Y CA -1.624 56.543 58.100 0.111 0.000 1.272 460 Y CB 0.415 38.959 38.460 0.139 0.000 1.255 460 Y HN 0.413 nan 8.280 nan 0.000 0.500 461 D N 1.737 122.364 120.400 0.378 0.000 2.348 461 D HA 0.073 4.713 4.640 -0.000 0.000 0.253 461 D C 0.694 177.223 176.300 0.380 0.000 1.161 461 D CA 0.006 54.166 54.000 0.267 0.000 0.876 461 D CB 1.203 42.119 40.800 0.193 0.000 1.160 461 D HN 0.747 nan 8.370 nan 0.000 0.459 462 K N 2.527 123.083 120.400 0.259 0.000 2.144 462 K HA -0.278 4.042 4.320 -0.000 0.000 0.209 462 K C 1.698 178.454 176.600 0.260 0.000 1.047 462 K CA 1.742 58.185 56.287 0.260 0.000 0.927 462 K CB 0.007 32.587 32.500 0.133 0.000 0.716 462 K HN 0.541 nan 8.250 nan 0.000 0.454 463 A N 1.391 124.321 122.820 0.184 0.000 1.898 463 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 463 A C 1.594 179.250 177.584 0.120 0.000 1.181 463 A CA 1.976 54.086 52.037 0.122 0.000 0.620 463 A CB -0.370 18.677 19.000 0.080 0.000 0.819 463 A HN 0.231 nan 8.150 nan 0.000 0.442 464 D N -1.229 119.276 120.400 0.175 0.000 2.144 464 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 464 D C 1.573 177.904 176.300 0.052 0.000 0.978 464 D CA 0.958 55.038 54.000 0.133 0.000 0.833 464 D CB -0.425 40.514 40.800 0.231 0.000 0.961 464 D HN 0.460 nan 8.370 nan 0.000 0.470 465 F N 1.746 121.707 119.950 0.017 0.000 2.102 465 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 465 F C 2.138 177.861 175.800 -0.130 0.000 1.105 465 F CA 1.456 59.374 58.000 -0.136 0.000 1.239 465 F CB 0.070 39.112 39.000 0.069 0.000 0.991 465 F HN -0.098 nan 8.300 nan 0.000 0.474 466 E N -0.898 119.399 120.200 0.161 0.000 2.150 466 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 466 E C 2.089 178.657 176.600 -0.052 0.000 0.985 466 E CA 1.522 57.961 56.400 0.065 0.000 0.814 466 E CB -0.246 29.528 29.700 0.124 0.000 0.752 466 E HN 0.368 nan 8.360 nan 0.000 0.466 467 T N 1.620 116.128 114.554 -0.078 0.000 2.708 467 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 467 T C 1.941 176.506 174.700 -0.224 0.000 1.037 467 T CA 0.855 62.897 62.100 -0.097 0.000 1.146 467 T CB -0.177 68.638 68.868 -0.090 0.000 0.865 467 T HN 0.097 nan 8.240 nan 0.000 0.435 468 L N 0.686 121.646 121.223 -0.438 0.000 2.046 468 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 468 L C 2.916 179.174 176.870 -1.020 0.000 1.077 468 L CA 1.477 55.818 54.840 -0.832 0.000 0.747 468 L CB -0.645 40.862 42.059 -0.920 0.000 0.896 468 L HN 0.327 nan 8.230 nan 0.000 0.432 469 Q N -1.032 118.396 119.800 -0.619 0.000 2.084 469 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 469 Q C 2.142 178.019 176.000 -0.206 0.000 0.978 469 Q CA 1.985 57.578 55.803 -0.350 0.000 0.844 469 Q CB -0.332 28.288 28.738 -0.197 0.000 0.898 469 Q HN 0.484 nan 8.270 nan 0.000 0.426 470 Y N 1.390 121.539 120.300 -0.252 0.000 2.181 470 Y HA -0.243 4.307 4.550 0.000 0.000 0.288 470 Y C 2.225 178.024 175.900 -0.169 0.000 1.146 470 Y CA 1.923 59.931 58.100 -0.154 0.000 1.164 470 Y CB -0.446 37.943 38.460 -0.118 0.000 0.982 470 Y HN -0.030 nan 8.280 nan 0.000 0.515 471 T N 0.967 115.297 114.554 -0.374 0.000 2.708 471 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 471 T C 1.525 176.013 174.700 -0.354 0.000 1.037 471 T CA 1.804 63.651 62.100 -0.423 0.000 1.146 471 T CB -0.574 68.017 68.868 -0.462 0.000 0.865 471 T HN 0.261 nan 8.240 nan 0.000 0.435 472 F N 1.437 121.218 119.950 -0.282 0.000 2.146 472 F HA 0.065 4.592 4.527 0.000 0.000 0.298 472 F C 2.487 178.136 175.800 -0.252 0.000 1.096 472 F CA 0.300 58.126 58.000 -0.290 0.000 1.275 472 F CB -0.980 37.855 39.000 -0.274 0.000 1.008 472 F HN 0.258 nan 8.300 nan 0.000 0.480 473 E N 0.300 120.460 120.200 -0.067 0.000 2.077 473 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 473 E C 2.413 178.928 176.600 -0.142 0.000 0.989 473 E CA 1.202 57.545 56.400 -0.096 0.000 0.800 473 E CB -0.007 29.636 29.700 -0.096 0.000 0.746 473 E HN 0.083 nan 8.360 nan 0.000 0.452 474 R N 0.188 120.522 120.500 -0.276 0.000 2.092 474 R HA -0.034 4.306 4.340 -0.000 0.000 0.231 474 R C 2.231 178.509 176.300 -0.036 0.000 1.119 474 R CA 1.551 57.514 56.100 -0.229 0.000 0.970 474 R CB -0.244 29.792 30.300 -0.440 0.000 0.864 474 R HN 0.268 nan 8.270 nan 0.000 0.440 475 M N 0.090 119.665 119.600 -0.041 0.000 2.117 475 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 475 M C 1.950 178.280 176.300 0.050 0.000 1.065 475 M CA 1.917 57.212 55.300 -0.008 0.000 1.114 475 M CB -0.198 32.142 32.600 -0.434 0.000 1.361 475 M HN 0.042 nan 8.290 nan 0.000 0.408 476 K N 0.085 120.466 120.400 -0.031 0.000 2.097 476 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 476 K C 1.820 178.443 176.600 0.039 0.000 1.050 476 K CA 1.329 57.616 56.287 0.001 0.000 0.938 476 K CB -0.212 32.269 32.500 -0.032 0.000 0.718 476 K HN 0.443 nan 8.250 nan 0.000 0.442 477 E N 0.684 120.899 120.200 0.026 0.000 2.051 477 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 477 E C 2.196 178.825 176.600 0.048 0.000 0.991 477 E CA 1.336 57.751 56.400 0.024 0.000 0.799 477 E CB 0.003 29.706 29.700 0.005 0.000 0.748 477 E HN 0.142 nan 8.360 nan 0.000 0.449 478 S N 0.715 116.474 115.700 0.099 0.000 2.359 478 S HA -0.215 4.254 4.470 -0.000 0.000 0.224 478 S C 2.131 176.774 174.600 0.072 0.000 1.035 478 S CA 1.073 59.341 58.200 0.114 0.000 1.018 478 S CB -0.313 63.031 63.200 0.239 0.000 0.876 478 S HN 0.405 nan 8.310 nan 0.000 0.448 479 A N 2.077 125.000 122.820 0.172 0.000 1.883 479 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 479 A C 1.870 179.446 177.584 -0.013 0.000 1.186 479 A CA 1.875 53.966 52.037 0.090 0.000 0.624 479 A CB -0.770 18.378 19.000 0.246 0.000 0.822 479 A HN 0.374 nan 8.150 nan 0.000 0.444 480 D N -0.281 120.129 120.400 0.017 0.000 2.144 480 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 480 D C 1.893 178.176 176.300 -0.029 0.000 0.978 480 D CA 1.027 55.025 54.000 -0.004 0.000 0.833 480 D CB -0.249 40.556 40.800 0.008 0.000 0.961 480 D HN 0.534 nan 8.370 nan 0.000 0.470 481 I N 0.505 121.057 120.570 -0.030 0.000 2.286 481 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 481 I C 2.399 178.469 176.117 -0.079 0.000 1.104 481 I CA 0.538 61.812 61.300 -0.044 0.000 1.397 481 I CB -0.094 37.887 38.000 -0.031 0.000 1.072 481 I HN -0.051 nan 8.210 nan 0.000 0.417 482 L N 0.212 121.366 121.223 -0.116 0.000 2.046 482 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 482 L C 2.559 179.322 176.870 -0.177 0.000 1.077 482 L CA 1.364 56.096 54.840 -0.181 0.000 0.747 482 L CB -0.584 41.294 42.059 -0.302 0.000 0.896 482 L HN 0.263 nan 8.230 nan 0.000 0.432 483 L N -1.037 120.086 121.223 -0.167 0.000 2.081 483 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 483 L C 2.301 179.112 176.870 -0.100 0.000 1.080 483 L CA 1.179 55.928 54.840 -0.150 0.000 0.754 483 L CB -0.276 41.715 42.059 -0.113 0.000 0.893 483 L HN 0.394 nan 8.230 nan 0.000 0.433 484 M N -1.397 118.156 119.600 -0.078 0.000 2.428 484 M HA 0.075 4.555 4.480 -0.000 0.000 0.239 484 M C 0.626 176.889 176.300 -0.061 0.000 1.121 484 M CA 0.077 55.344 55.300 -0.056 0.000 1.019 484 M CB -0.906 31.670 32.600 -0.040 0.000 1.485 484 M HN 0.163 nan 8.290 nan 0.000 0.484 485 N N 1.890 120.542 118.700 -0.079 0.000 2.483 485 N HA -0.014 4.726 4.740 -0.000 0.000 0.264 485 N C 0.513 175.980 175.510 -0.072 0.000 1.197 485 N CA 0.889 53.893 53.050 -0.077 0.000 0.927 485 N CB 1.152 39.582 38.487 -0.094 0.000 1.065 485 N HN 0.228 nan 8.380 nan 0.000 0.461 486 T N -0.375 114.143 114.554 -0.061 0.000 3.040 486 T HA 0.086 4.436 4.350 -0.000 0.000 0.266 486 T C 1.156 175.822 174.700 -0.057 0.000 1.005 486 T CA -0.265 61.802 62.100 -0.055 0.000 0.906 486 T CB 0.188 69.030 68.868 -0.043 0.000 1.082 486 T HN 0.658 nan 8.240 nan 0.000 0.531 487 E N 1.811 121.973 120.200 -0.064 0.000 2.112 487 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 487 E C 0.551 177.107 176.600 -0.073 0.000 0.979 487 E CA 0.495 56.858 56.400 -0.063 0.000 0.814 487 E CB 0.193 29.855 29.700 -0.063 0.000 0.762 487 E HN 0.337 nan 8.360 nan 0.000 0.460 488 N N 0.432 119.079 118.700 -0.088 0.000 2.762 488 N HA 0.097 4.837 4.740 -0.000 0.000 0.252 488 N C -0.239 175.210 175.510 -0.102 0.000 1.269 488 N CA -0.140 52.848 53.050 -0.103 0.000 0.799 488 N CB 0.868 39.279 38.487 -0.127 0.000 1.173 488 N HN 0.034 nan 8.380 nan 0.000 0.516 489 K N 0.888 121.237 120.400 -0.086 0.000 2.057 489 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 489 K C -0.993 175.558 176.600 -0.083 0.000 1.049 489 K CA 1.287 57.528 56.287 -0.078 0.000 0.931 489 K CB -0.404 32.060 32.500 -0.059 0.000 0.714 489 K HN 0.363 nan 8.250 nan 0.000 0.440 490 P HA -0.181 nan 4.420 nan 0.000 0.215 490 P C 1.406 178.641 177.300 -0.109 0.000 1.153 490 P CA 0.881 63.925 63.100 -0.094 0.000 0.853 490 P CB 0.052 31.683 31.700 -0.115 0.000 0.788 491 L N -0.820 120.323 121.223 -0.134 0.000 2.012 491 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 491 L C 2.029 178.817 176.870 -0.136 0.000 1.073 491 L CA 2.027 56.780 54.840 -0.146 0.000 0.748 491 L CB -1.187 40.773 42.059 -0.164 0.000 0.891 491 L HN -0.156 nan 8.230 nan 0.000 0.431 492 I N -0.936 119.554 120.570 -0.133 0.000 2.286 492 I HA -0.212 3.957 4.170 -0.000 0.000 0.248 492 I C 2.612 178.661 176.117 -0.113 0.000 1.115 492 I CA 1.112 62.325 61.300 -0.145 0.000 1.392 492 I CB -1.425 36.493 38.000 -0.136 0.000 1.065 492 I HN 0.126 nan 8.210 nan 0.000 0.418 493 V N 1.019 120.886 119.914 -0.077 0.000 2.287 493 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 493 V C 2.491 178.578 176.094 -0.011 0.000 1.053 493 V CA 1.806 64.083 62.300 -0.038 0.000 1.027 493 V CB -0.677 31.132 31.823 -0.022 0.000 0.646 493 V HN 0.429 nan 8.190 nan 0.000 0.447 494 E N 0.137 120.320 120.200 -0.028 0.000 2.051 494 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 494 E C 2.064 178.645 176.600 -0.032 0.000 0.991 494 E CA 1.922 58.314 56.400 -0.014 0.000 0.799 494 E CB -0.231 29.430 29.700 -0.065 0.000 0.748 494 E HN 0.832 nan 8.360 nan 0.000 0.449 495 I N -1.878 118.648 120.570 -0.074 0.000 3.419 495 I HA 0.036 4.205 4.170 -0.000 0.000 0.286 495 I C 1.849 177.997 176.117 0.051 0.000 1.268 495 I CA 0.433 61.718 61.300 -0.025 0.000 1.414 495 I CB 0.019 37.928 38.000 -0.151 0.000 1.074 495 I HN -0.144 nan 8.210 nan 0.000 0.457 496 T N 2.694 117.225 114.554 -0.039 0.000 2.665 496 T HA -0.066 4.283 4.350 -0.000 0.000 0.268 496 T C -0.353 174.254 174.700 -0.155 0.000 1.035 496 T CA 2.252 64.245 62.100 -0.178 0.000 1.151 496 T CB -1.106 67.665 68.868 -0.163 0.000 0.862 496 T HN 0.369 nan 8.240 nan 0.000 0.438 497 P HA -0.075 nan 4.420 nan 0.000 0.216 497 P C 1.317 178.552 177.300 -0.109 0.000 1.150 497 P CA 0.948 64.002 63.100 -0.076 0.000 0.837 497 P CB -0.179 31.335 31.700 -0.309 0.000 0.786 498 W N -0.669 120.630 121.300 -0.002 0.000 2.388 498 W HA -0.085 4.575 4.660 0.000 0.000 0.294 498 W C 1.980 178.596 176.519 0.160 0.000 1.212 498 W CA 0.690 58.097 57.345 0.103 0.000 1.271 498 W CB -1.058 28.510 29.460 0.179 0.000 1.126 498 W HN -0.192 nan 8.180 nan 0.000 0.535 499 V N -0.042 119.951 119.914 0.133 0.000 2.343 499 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 499 V C 2.275 178.414 176.094 0.075 0.000 1.051 499 V CA 1.860 64.101 62.300 -0.098 0.000 1.036 499 V CB -1.089 30.467 31.823 -0.444 0.000 0.654 499 V HN 0.147 nan 8.190 nan 0.000 0.451 500 H N -0.332 118.775 119.070 0.062 0.000 2.319 500 H HA -0.201 4.355 4.556 0.000 0.000 0.299 500 H C 2.394 177.756 175.328 0.057 0.000 1.092 500 H CA 2.218 58.288 56.048 0.037 0.000 1.302 500 H CB -0.273 29.485 29.762 -0.008 0.000 1.373 500 H HN 0.395 nan 8.280 nan 0.000 0.497 501 Q N 0.098 120.011 119.800 0.187 0.000 2.084 501 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 501 Q C 2.233 178.340 176.000 0.178 0.000 0.978 501 Q CA 1.149 57.021 55.803 0.115 0.000 0.844 501 Q CB -0.549 28.210 28.738 0.035 0.000 0.898 501 Q HN 0.362 nan 8.270 nan 0.000 0.426 502 F N 0.784 120.812 119.950 0.130 0.000 2.102 502 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 502 F C 2.113 177.955 175.800 0.070 0.000 1.105 502 F CA 1.976 60.069 58.000 0.155 0.000 1.239 502 F CB -0.210 39.000 39.000 0.351 0.000 0.991 502 F HN 0.031 nan 8.300 nan 0.000 0.474 503 K N 0.371 120.889 120.400 0.197 0.000 2.063 503 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 503 K C 2.136 178.689 176.600 -0.079 0.000 1.048 503 K CA 1.922 58.227 56.287 0.031 0.000 0.928 503 K CB -0.395 32.163 32.500 0.096 0.000 0.713 503 K HN 0.395 nan 8.250 nan 0.000 0.442 504 L N 0.378 121.572 121.223 -0.048 0.000 2.046 504 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 504 L C 2.436 179.182 176.870 -0.207 0.000 1.077 504 L CA 1.577 56.347 54.840 -0.117 0.000 0.747 504 L CB -0.660 41.351 42.059 -0.079 0.000 0.896 504 L HN 0.300 nan 8.230 nan 0.000 0.432 505 T N -0.002 114.434 114.554 -0.196 0.000 2.635 505 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 505 T C 2.002 176.431 174.700 -0.453 0.000 1.040 505 T CA 1.549 63.480 62.100 -0.281 0.000 1.156 505 T CB -0.326 68.416 68.868 -0.211 0.000 0.863 505 T HN 0.473 nan 8.240 nan 0.000 0.430 506 A N 1.469 124.022 122.820 -0.445 0.000 1.902 506 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 506 A C 2.225 179.504 177.584 -0.509 0.000 1.181 506 A CA 1.743 53.483 52.037 -0.495 0.000 0.623 506 A CB -0.586 18.218 19.000 -0.327 0.000 0.818 506 A HN 0.591 nan 8.150 nan 0.000 0.443 507 E N -1.053 118.931 120.200 -0.361 0.000 2.077 507 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 507 E C 2.066 178.403 176.600 -0.438 0.000 0.989 507 E CA 1.332 57.536 56.400 -0.327 0.000 0.800 507 E CB -0.253 29.298 29.700 -0.248 0.000 0.746 507 E HN 0.716 nan 8.360 nan 0.000 0.452 508 M N 0.427 119.743 119.600 -0.472 0.000 2.117 508 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 508 M C 2.243 178.204 176.300 -0.566 0.000 1.065 508 M CA 1.957 56.959 55.300 -0.497 0.000 1.114 508 M CB -0.290 32.045 32.600 -0.443 0.000 1.361 508 M HN 0.167 nan 8.290 nan 0.000 0.408 509 G N 0.016 108.303 108.800 -0.855 0.000 2.446 509 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 509 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 509 G C 1.241 175.666 174.900 -0.792 0.000 1.168 509 G CA 1.176 45.490 45.100 -1.310 0.000 0.771 509 G HN 0.598 nan 8.290 nan 0.000 0.551 510 E N 0.159 120.006 120.200 -0.588 0.000 2.058 510 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 510 E C 2.536 179.046 176.600 -0.150 0.000 0.997 510 E CA 1.031 57.318 56.400 -0.188 0.000 0.801 510 E CB -0.044 29.581 29.700 -0.125 0.000 0.746 510 E HN 0.338 nan 8.360 nan 0.000 0.450 511 E N 0.409 120.467 120.200 -0.236 0.000 2.106 511 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 511 E C 2.303 178.823 176.600 -0.134 0.000 0.984 511 E CA 0.558 56.841 56.400 -0.195 0.000 0.806 511 E CB -0.166 29.332 29.700 -0.336 0.000 0.750 511 E HN 0.123 nan 8.360 nan 0.000 0.458 512 V N 1.624 121.446 119.914 -0.153 0.000 2.358 512 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 512 V C 2.489 178.599 176.094 0.026 0.000 1.047 512 V CA 1.192 63.469 62.300 -0.039 0.000 1.035 512 V CB -0.479 31.319 31.823 -0.041 0.000 0.658 512 V HN 0.216 nan 8.190 nan 0.000 0.452 513 L N -0.521 120.698 121.223 -0.008 0.000 2.131 513 L HA -0.202 4.137 4.340 -0.000 0.000 0.210 513 L C 2.529 179.579 176.870 0.300 0.000 1.092 513 L CA 1.605 56.491 54.840 0.077 0.000 0.759 513 L CB -0.626 41.302 42.059 -0.219 0.000 0.903 513 L HN 0.321 nan 8.230 nan 0.000 0.435 514 K N -0.296 120.229 120.400 0.208 0.000 2.148 514 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 514 K C 2.135 178.922 176.600 0.313 0.000 1.050 514 K CA 1.205 57.672 56.287 0.301 0.000 0.942 514 K CB -0.083 32.563 32.500 0.244 0.000 0.724 514 K HN 0.260 nan 8.250 nan 0.000 0.446 515 M N 0.222 119.914 119.600 0.153 0.000 2.132 515 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 515 M C 2.131 178.676 176.300 0.409 0.000 1.065 515 M CA 1.223 56.594 55.300 0.117 0.000 1.122 515 M CB -0.152 32.342 32.600 -0.176 0.000 1.365 515 M HN -0.075 nan 8.290 nan 0.000 0.411 516 V N 0.447 120.576 119.914 0.359 0.000 2.343 516 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 516 V C 1.923 178.287 176.094 0.450 0.000 1.051 516 V CA 1.884 64.427 62.300 0.404 0.000 1.036 516 V CB -0.672 31.315 31.823 0.273 0.000 0.654 516 V HN 0.482 nan 8.190 nan 0.000 0.451 517 E N 0.306 120.748 120.200 0.404 0.000 2.418 517 E HA 0.044 4.394 4.350 -0.000 0.000 0.197 517 E C 1.395 178.189 176.600 0.324 0.000 1.026 517 E CA 0.310 56.892 56.400 0.302 0.000 0.862 517 E CB -0.289 29.563 29.700 0.253 0.000 0.799 517 E HN 0.643 nan 8.360 nan 0.000 0.518 518 G N 2.148 111.219 108.800 0.452 0.000 2.500 518 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.309 518 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.309 518 G C 0.502 175.619 174.900 0.362 0.000 0.236 518 G CA 0.546 45.965 45.100 0.531 0.000 1.128 518 G HN 0.281 nan 8.290 nan 0.000 0.495 519 R N 1.539 122.202 120.500 0.273 0.000 2.062 519 R HA -0.026 4.314 4.340 -0.000 0.000 0.231 519 R C 1.444 177.846 176.300 0.169 0.000 1.136 519 R CA 1.905 58.071 56.100 0.109 0.000 0.948 519 R CB -0.047 30.177 30.300 -0.126 0.000 0.845 519 R HN 0.842 nan 8.270 nan 0.000 0.430 520 N N -2.235 116.610 118.700 0.243 0.000 3.157 520 N HA 0.054 4.794 4.740 -0.000 0.000 0.291 520 N C -0.123 175.540 175.510 0.256 0.000 1.515 520 N CA -0.824 52.361 53.050 0.225 0.000 0.807 520 N CB 0.707 39.289 38.487 0.159 0.000 1.672 520 N HN -0.141 nan 8.380 nan 0.000 0.592 521 E N -0.532 119.736 120.200 0.113 0.000 2.072 521 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 521 E C 1.194 177.869 176.600 0.126 0.000 0.985 521 E CA 1.722 58.104 56.400 -0.030 0.000 0.801 521 E CB -0.025 29.467 29.700 -0.347 0.000 0.750 521 E HN 0.652 nan 8.360 nan 0.000 0.452 522 S N -0.652 115.125 115.700 0.128 0.000 2.436 522 S HA -0.147 4.322 4.470 -0.000 0.000 0.228 522 S C 1.964 176.661 174.600 0.163 0.000 1.014 522 S CA 0.507 58.780 58.200 0.123 0.000 0.950 522 S CB -0.476 62.785 63.200 0.101 0.000 0.784 522 S HN 0.448 nan 8.310 nan 0.000 0.504 523 Y N 1.506 121.874 120.300 0.112 0.000 2.163 523 Y HA 0.015 4.565 4.550 -0.000 0.000 0.288 523 Y C 1.965 177.947 175.900 0.136 0.000 1.136 523 Y CA 1.298 59.466 58.100 0.114 0.000 1.147 523 Y CB -0.695 37.840 38.460 0.124 0.000 0.987 523 Y HN 0.300 nan 8.280 nan 0.000 0.509 524 F N 0.278 120.288 119.950 0.099 0.000 2.095 524 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 524 F C 1.935 177.627 175.800 -0.180 0.000 1.104 524 F CA 1.961 59.937 58.000 -0.040 0.000 1.232 524 F CB -0.468 38.526 39.000 -0.010 0.000 0.987 524 F HN 0.035 nan 8.300 nan 0.000 0.475 525 L N -0.160 121.113 121.223 0.083 0.000 2.083 525 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 525 L C 2.604 179.465 176.870 -0.015 0.000 1.083 525 L CA 1.361 56.203 54.840 0.002 0.000 0.752 525 L CB -0.686 41.383 42.059 0.017 0.000 0.899 525 L HN 0.080 nan 8.230 nan 0.000 0.433 526 R N -0.085 120.366 120.500 -0.083 0.000 2.081 526 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 526 R C 2.384 178.585 176.300 -0.166 0.000 1.131 526 R CA 1.103 57.129 56.100 -0.125 0.000 0.960 526 R CB -0.118 30.080 30.300 -0.171 0.000 0.856 526 R HN 0.224 nan 8.270 nan 0.000 0.436 527 K N -0.098 120.121 120.400 -0.300 0.000 2.057 527 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 527 K C 1.955 178.441 176.600 -0.190 0.000 1.050 527 K CA 1.268 57.388 56.287 -0.280 0.000 0.935 527 K CB -0.589 31.668 32.500 -0.405 0.000 0.715 527 K HN 0.270 nan 8.250 nan 0.000 0.439 528 Y N 2.602 122.690 120.300 -0.354 0.000 2.128 528 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 528 Y C 1.650 177.512 175.900 -0.063 0.000 1.154 528 Y CA 1.902 59.881 58.100 -0.202 0.000 1.149 528 Y CB -0.458 37.834 38.460 -0.280 0.000 0.976 528 Y HN 0.196 nan 8.280 nan 0.000 0.505 529 N N -1.567 117.112 118.700 -0.035 0.000 2.244 529 N HA -0.187 4.553 4.740 -0.000 0.000 0.183 529 N C 1.796 177.247 175.510 -0.099 0.000 1.016 529 N CA 0.903 53.903 53.050 -0.084 0.000 0.866 529 N CB -0.369 38.123 38.487 0.008 0.000 0.980 529 N HN 0.522 nan 8.380 nan 0.000 0.430 530 H N 0.293 119.241 119.070 -0.203 0.000 2.357 530 H HA -0.039 4.517 4.556 -0.000 0.000 0.301 530 H C 1.875 177.048 175.328 -0.259 0.000 1.082 530 H CA 0.908 56.831 56.048 -0.209 0.000 1.342 530 H CB 0.244 29.892 29.762 -0.191 0.000 1.389 530 H HN -0.008 nan 8.280 nan 0.000 0.511 531 V N 1.397 121.141 119.914 -0.282 0.000 2.343 531 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 531 V C 2.389 178.208 176.094 -0.457 0.000 1.051 531 V CA 1.600 63.637 62.300 -0.438 0.000 1.036 531 V CB -0.349 31.191 31.823 -0.471 0.000 0.654 531 V HN 0.359 nan 8.190 nan 0.000 0.451 532 K N 0.607 120.740 120.400 -0.446 0.000 2.103 532 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 532 K C 2.253 178.674 176.600 -0.298 0.000 1.048 532 K CA 1.704 57.766 56.287 -0.376 0.000 0.930 532 K CB -0.993 31.292 32.500 -0.359 0.000 0.716 532 K HN 0.500 nan 8.250 nan 0.000 0.444 533 A N 1.108 123.784 122.820 -0.240 0.000 1.898 533 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 533 A C 2.358 179.816 177.584 -0.210 0.000 1.181 533 A CA 1.094 53.007 52.037 -0.206 0.000 0.620 533 A CB -0.574 18.360 19.000 -0.110 0.000 0.819 533 A HN 0.190 nan 8.150 nan 0.000 0.442 534 L N -0.805 120.289 121.223 -0.214 0.000 2.046 534 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 534 L C 2.873 179.610 176.870 -0.221 0.000 1.077 534 L CA 1.573 56.276 54.840 -0.229 0.000 0.747 534 L CB -0.649 41.222 42.059 -0.314 0.000 0.896 534 L HN 0.478 nan 8.230 nan 0.000 0.432 535 Q N -0.394 119.249 119.800 -0.261 0.000 2.096 535 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 535 Q C 2.287 178.210 176.000 -0.128 0.000 0.982 535 Q CA 1.624 57.312 55.803 -0.191 0.000 0.850 535 Q CB -0.149 28.463 28.738 -0.210 0.000 0.901 535 Q HN 0.572 nan 8.270 nan 0.000 0.422 536 Q N 0.251 119.867 119.800 -0.305 0.000 2.079 536 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 536 Q C 2.111 178.031 176.000 -0.135 0.000 0.974 536 Q CA 1.169 56.677 55.803 -0.492 0.000 0.840 536 Q CB 0.030 28.305 28.738 -0.772 0.000 0.898 536 Q HN 0.445 nan 8.270 nan 0.000 0.430 537 Q N -0.060 119.664 119.800 -0.126 0.000 2.124 537 Q HA -0.136 4.203 4.340 -0.000 0.000 0.202 537 Q C 2.058 178.082 176.000 0.040 0.000 0.977 537 Q CA 1.212 56.989 55.803 -0.043 0.000 0.850 537 Q CB -0.073 28.609 28.738 -0.093 0.000 0.901 537 Q HN 0.453 nan 8.270 nan 0.000 0.429 538 M N -0.516 119.088 119.600 0.006 0.000 2.175 538 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 538 M C 1.968 178.306 176.300 0.063 0.000 1.063 538 M CA 1.229 56.536 55.300 0.012 0.000 1.119 538 M CB -0.287 32.298 32.600 -0.025 0.000 1.377 538 M HN 0.195 nan 8.290 nan 0.000 0.415 539 F N 0.349 120.296 119.950 -0.004 0.000 2.102 539 F HA -0.284 4.243 4.527 -0.001 0.000 0.298 539 F C 2.374 178.192 175.800 0.030 0.000 1.105 539 F CA 1.656 59.680 58.000 0.041 0.000 1.239 539 F CB -0.627 38.481 39.000 0.180 0.000 0.991 539 F HN 0.065 nan 8.300 nan 0.000 0.474 540 Y N 1.086 121.391 120.300 0.007 0.000 2.128 540 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 540 Y C 2.247 178.033 175.900 -0.190 0.000 1.154 540 Y CA 2.121 60.158 58.100 -0.104 0.000 1.149 540 Y CB -0.552 37.888 38.460 -0.034 0.000 0.976 540 Y HN 0.106 nan 8.280 nan 0.000 0.505 541 I N 0.222 120.720 120.570 -0.120 0.000 2.163 541 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 541 I C 2.014 177.926 176.117 -0.342 0.000 1.085 541 I CA 2.217 63.380 61.300 -0.229 0.000 1.347 541 I CB -0.949 36.987 38.000 -0.107 0.000 1.044 541 I HN 0.285 nan 8.210 nan 0.000 0.408 542 D N 0.227 120.437 120.400 -0.316 0.000 2.264 542 D HA -0.168 4.472 4.640 -0.000 0.000 0.208 542 D C 2.088 178.146 176.300 -0.404 0.000 0.966 542 D CA 0.938 54.739 54.000 -0.332 0.000 0.864 542 D CB 0.212 40.857 40.800 -0.257 0.000 0.933 542 D HN 0.231 nan 8.370 nan 0.000 0.499 543 Q N -1.362 118.117 119.800 -0.534 0.000 2.396 543 Q HA 0.097 4.437 4.340 -0.000 0.000 0.209 543 Q C 1.754 177.496 176.000 -0.429 0.000 0.906 543 Q CA 1.010 56.506 55.803 -0.511 0.000 0.927 543 Q CB 0.746 29.084 28.738 -0.666 0.000 1.069 543 Q HN 0.478 nan 8.270 nan 0.000 0.523 544 T N -4.031 110.218 114.554 -0.509 0.000 2.969 544 T HA 0.260 4.610 4.350 -0.000 0.000 0.250 544 T C 1.002 175.517 174.700 -0.308 0.000 1.021 544 T CA -0.203 61.626 62.100 -0.452 0.000 1.003 544 T CB 0.424 68.847 68.868 -0.742 0.000 1.040 544 T HN -0.153 nan 8.240 nan 0.000 0.492 545 S N 2.503 118.016 115.700 -0.313 0.000 2.565 545 S HA 0.529 4.999 4.470 -0.000 0.000 0.290 545 S C 0.107 174.562 174.600 -0.242 0.000 1.150 545 S CA -0.480 57.567 58.200 -0.256 0.000 1.058 545 S CB 0.953 63.973 63.200 -0.301 0.000 1.032 545 S HN 0.558 nan 8.310 nan 0.000 0.510 546 N N 1.963 120.567 118.700 -0.160 0.000 2.705 546 N HA -0.162 4.578 4.740 -0.000 0.000 0.255 546 N C -0.848 174.628 175.510 -0.057 0.000 1.008 546 N CA 0.355 53.361 53.050 -0.073 0.000 0.742 546 N CB -0.665 37.739 38.487 -0.139 0.000 0.906 546 N HN 0.433 nan 8.380 nan 0.000 0.541 547 Q N 0.839 120.599 119.800 -0.066 0.000 2.664 547 Q HA 0.146 4.486 4.340 -0.000 0.000 0.223 547 Q C 0.187 176.164 176.000 -0.038 0.000 1.298 547 Q CA -0.110 55.650 55.803 -0.072 0.000 0.965 547 Q CB -0.530 28.150 28.738 -0.096 0.000 1.510 547 Q HN 0.747 nan 8.270 nan 0.000 0.567 548 N N -0.445 118.248 118.700 -0.013 0.000 2.476 548 N HA 0.394 5.134 4.740 -0.000 0.000 0.276 548 N C -2.157 173.277 175.510 -0.127 0.000 1.204 548 N CA -1.522 51.521 53.050 -0.011 0.000 0.974 548 N CB 0.721 39.273 38.487 0.109 0.000 1.204 548 N HN -0.139 nan 8.380 nan 0.000 0.543 549 P HA -0.002 nan 4.420 nan 0.000 0.230 549 P C -0.207 176.723 177.300 -0.616 0.000 1.158 549 P CA 1.119 63.865 63.100 -0.591 0.000 0.769 549 P CB -0.041 31.093 31.700 -0.944 0.000 0.807 550 Y N -1.161 119.150 120.300 0.019 0.000 2.569 550 Y HA 0.276 4.826 4.550 0.000 0.000 0.278 550 Y C 0.814 176.732 175.900 0.029 0.000 1.130 550 Y CA 0.140 58.253 58.100 0.021 0.000 1.280 550 Y CB -0.447 38.029 38.460 0.026 0.000 1.379 550 Y HN -0.242 nan 8.280 nan 0.000 0.508 551 Q N 1.479 121.400 119.800 0.203 0.000 3.064 551 Q HA 0.315 4.655 4.340 -0.000 0.000 0.258 551 Q C -2.844 173.213 176.000 0.095 0.000 0.972 551 Q CA -2.145 53.739 55.803 0.135 0.000 0.761 551 Q CB 1.391 30.224 28.738 0.159 0.000 1.281 551 Q HN 0.075 nan 8.270 nan 0.000 0.455 552 P HA 0.352 nan 4.420 nan 0.000 0.272 552 P C 0.536 177.804 177.300 -0.053 0.000 1.230 552 P CA 0.682 63.770 63.100 -0.020 0.000 0.788 552 P CB 1.202 32.862 31.700 -0.065 0.000 0.949 553 G N 0.024 108.755 108.800 -0.115 0.000 2.548 553 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.208 553 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.208 553 G C -1.506 173.226 174.900 -0.281 0.000 1.308 553 G CA -0.331 44.644 45.100 -0.208 0.000 0.924 553 G HN 0.546 nan 8.290 nan 0.000 0.540 554 V N 1.490 121.197 119.914 -0.344 0.000 2.532 554 V HA 0.615 4.735 4.120 -0.000 0.000 0.294 554 V C -0.650 175.273 176.094 -0.286 0.000 1.036 554 V CA -1.034 60.932 62.300 -0.557 0.000 0.876 554 V CB 1.661 33.010 31.823 -0.790 0.000 1.012 554 V HN 0.754 nan 8.190 nan 0.000 0.432 555 K N 2.086 122.393 120.400 -0.154 0.000 2.270 555 K HA 0.831 5.151 4.320 -0.000 0.000 0.255 555 K C -0.509 176.089 176.600 -0.004 0.000 0.936 555 K CA -0.532 55.664 56.287 -0.151 0.000 0.809 555 K CB 2.537 34.796 32.500 -0.401 0.000 1.131 555 K HN 0.676 nan 8.250 nan 0.000 0.427 556 T N -0.653 113.940 114.554 0.065 0.000 2.923 556 T HA 0.492 4.842 4.350 -0.000 0.000 0.311 556 T C -0.910 173.888 174.700 0.164 0.000 1.183 556 T CA 0.306 62.519 62.100 0.188 0.000 1.020 556 T CB 0.887 69.963 68.868 0.346 0.000 1.165 556 T HN 0.682 nan 8.240 nan 0.000 0.482 557 A N 1.887 124.830 122.820 0.206 0.000 2.745 557 A HA -0.166 4.154 4.320 -0.000 0.000 0.296 557 A C 1.314 178.977 177.584 0.132 0.000 1.500 557 A CA 2.022 54.172 52.037 0.189 0.000 0.766 557 A CB -2.689 16.399 19.000 0.147 0.000 1.030 557 A HN 1.579 nan 8.150 nan 0.000 0.489 558 T N -3.102 111.544 114.554 0.155 0.000 3.054 558 T HA 0.062 4.412 4.350 -0.000 0.000 0.259 558 T C 1.619 176.401 174.700 0.136 0.000 1.092 558 T CA 1.177 63.366 62.100 0.148 0.000 1.121 558 T CB -0.032 68.972 68.868 0.228 0.000 0.912 558 T HN 0.662 nan 8.240 nan 0.000 0.489 559 R N 0.223 120.806 120.500 0.138 0.000 2.075 559 R HA 0.132 4.472 4.340 -0.000 0.000 0.226 559 R C 1.689 178.048 176.300 0.098 0.000 1.114 559 R CA 1.153 57.321 56.100 0.114 0.000 0.972 559 R CB 0.099 30.465 30.300 0.110 0.000 0.869 559 R HN 0.361 nan 8.270 nan 0.000 0.437 560 V N -0.717 119.257 119.914 0.101 0.000 3.058 560 V HA 0.047 4.167 4.120 -0.000 0.000 0.233 560 V C 1.891 178.026 176.094 0.069 0.000 1.255 560 V CA 0.234 62.585 62.300 0.084 0.000 1.267 560 V CB 0.128 32.002 31.823 0.087 0.000 1.049 560 V HN 0.154 nan 8.190 nan 0.000 0.486 561 I N 0.521 121.127 120.570 0.060 0.000 2.162 561 I HA -0.168 4.002 4.170 -0.000 0.000 0.238 561 I C 2.536 178.671 176.117 0.030 0.000 1.076 561 I CA 1.585 62.910 61.300 0.042 0.000 1.353 561 I CB -0.241 37.756 38.000 -0.005 0.000 1.063 561 I HN 0.229 nan 8.210 nan 0.000 0.408 562 K N 1.283 121.695 120.400 0.020 0.000 2.057 562 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 562 K C -0.755 175.857 176.600 0.020 0.000 1.049 562 K CA 1.722 58.007 56.287 -0.004 0.000 0.931 562 K CB -1.351 31.153 32.500 0.007 0.000 0.714 562 K HN 0.124 nan 8.250 nan 0.000 0.440 563 P HA -0.143 nan 4.420 nan 0.000 0.215 563 P C 1.254 178.603 177.300 0.082 0.000 1.153 563 P CA 0.920 64.061 63.100 0.068 0.000 0.853 563 P CB -0.020 31.727 31.700 0.077 0.000 0.788 564 L N -0.680 120.592 121.223 0.083 0.000 2.017 564 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 564 L C 2.195 179.127 176.870 0.103 0.000 1.073 564 L CA 1.849 56.754 54.840 0.107 0.000 0.745 564 L CB -1.210 40.903 42.059 0.091 0.000 0.894 564 L HN -0.145 nan 8.230 nan 0.000 0.432 565 I N -0.214 120.383 120.570 0.045 0.000 2.179 565 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 565 I C 2.049 178.195 176.117 0.049 0.000 1.088 565 I CA 1.446 62.739 61.300 -0.011 0.000 1.357 565 I CB -0.610 37.293 38.000 -0.162 0.000 1.051 565 I HN 0.301 nan 8.210 nan 0.000 0.409 566 D N 0.666 121.095 120.400 0.048 0.000 2.117 566 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 566 D C 2.371 178.777 176.300 0.177 0.000 0.982 566 D CA 1.155 55.211 54.000 0.093 0.000 0.828 566 D CB -0.200 40.634 40.800 0.057 0.000 0.967 566 D HN 0.255 nan 8.370 nan 0.000 0.464 567 R N -0.041 120.550 120.500 0.152 0.000 2.075 567 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 567 R C 2.267 178.695 176.300 0.212 0.000 1.126 567 R CA 1.409 57.608 56.100 0.166 0.000 0.963 567 R CB -0.389 30.003 30.300 0.152 0.000 0.858 567 R HN 0.129 nan 8.270 nan 0.000 0.435 568 T N 0.919 115.617 114.554 0.239 0.000 2.821 568 T HA -0.141 4.208 4.350 -0.000 0.000 0.267 568 T C 1.353 176.215 174.700 0.269 0.000 1.046 568 T CA 1.139 63.403 62.100 0.272 0.000 1.139 568 T CB -0.288 68.717 68.868 0.228 0.000 0.871 568 T HN 0.157 nan 8.240 nan 0.000 0.454 569 F N 2.450 122.452 119.950 0.086 0.000 2.075 569 F HA -0.012 4.514 4.527 -0.000 0.000 0.297 569 F C 2.517 178.387 175.800 0.118 0.000 1.113 569 F CA 1.114 59.158 58.000 0.074 0.000 1.218 569 F CB -0.834 38.169 39.000 0.005 0.000 0.984 569 F HN 0.141 nan 8.300 nan 0.000 0.472 570 A N -0.466 122.444 122.820 0.150 0.000 1.917 570 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 570 A C 2.190 179.730 177.584 -0.073 0.000 1.182 570 A CA 2.517 54.570 52.037 0.027 0.000 0.633 570 A CB -1.498 17.569 19.000 0.112 0.000 0.819 570 A HN 0.489 nan 8.150 nan 0.000 0.448 571 T N -1.005 113.525 114.554 -0.039 0.000 2.737 571 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 571 T C 1.859 176.281 174.700 -0.464 0.000 1.038 571 T CA 1.426 63.361 62.100 -0.274 0.000 1.144 571 T CB -0.523 68.274 68.868 -0.118 0.000 0.866 571 T HN 0.192 nan 8.240 nan 0.000 0.434 572 V N 1.278 121.215 119.914 0.039 0.000 2.427 572 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 572 V C 2.465 178.716 176.094 0.261 0.000 1.051 572 V CA 1.368 63.843 62.300 0.293 0.000 1.048 572 V CB -0.424 31.719 31.823 0.533 0.000 0.666 572 V HN 0.327 nan 8.190 nan 0.000 0.456 573 V N 0.188 120.137 119.914 0.059 0.000 2.343 573 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 573 V C 2.432 178.573 176.094 0.079 0.000 1.051 573 V CA 2.551 64.886 62.300 0.057 0.000 1.036 573 V CB -0.748 30.942 31.823 -0.222 0.000 0.654 573 V HN 0.617 nan 8.190 nan 0.000 0.451 574 K N -0.407 119.977 120.400 -0.027 0.000 2.009 574 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 574 K C 2.140 178.831 176.600 0.152 0.000 1.049 574 K CA 2.027 58.319 56.287 0.008 0.000 0.929 574 K CB -0.279 32.172 32.500 -0.083 0.000 0.714 574 K HN 0.327 nan 8.250 nan 0.000 0.440 575 F N 0.462 120.442 119.950 0.050 0.000 2.126 575 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 575 F C 2.278 178.088 175.800 0.018 0.000 1.096 575 F CA 0.776 58.783 58.000 0.012 0.000 1.255 575 F CB -1.298 37.719 39.000 0.029 0.000 0.997 575 F HN 0.073 nan 8.300 nan 0.000 0.479 576 F N 1.475 121.483 119.950 0.097 0.000 2.095 576 F HA -0.258 4.269 4.527 0.000 0.000 0.298 576 F C 2.233 178.049 175.800 0.027 0.000 1.104 576 F CA 1.733 59.693 58.000 -0.067 0.000 1.232 576 F CB -0.559 38.127 39.000 -0.524 0.000 0.987 576 F HN -0.127 nan 8.300 nan 0.000 0.475 577 N N 0.448 119.255 118.700 0.178 0.000 2.104 577 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 577 N C 1.805 177.260 175.510 -0.091 0.000 1.024 577 N CA 1.659 54.726 53.050 0.028 0.000 0.853 577 N CB -0.606 37.901 38.487 0.035 0.000 1.008 577 N HN 0.520 nan 8.380 nan 0.000 0.424 578 Q N 0.625 120.397 119.800 -0.047 0.000 1.993 578 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 578 Q C 2.054 177.925 176.000 -0.216 0.000 0.984 578 Q CA 1.339 57.084 55.803 -0.097 0.000 0.837 578 Q CB -0.135 28.581 28.738 -0.037 0.000 0.902 578 Q HN 0.307 nan 8.270 nan 0.000 0.423 579 K N -0.025 120.198 120.400 -0.294 0.000 2.063 579 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 579 K C 0.750 176.831 176.600 -0.865 0.000 1.048 579 K CA 1.272 57.206 56.287 -0.588 0.000 0.928 579 K CB 0.077 32.170 32.500 -0.679 0.000 0.713 579 K HN 0.099 nan 8.250 nan 0.000 0.442 580 F N 0.491 120.148 119.950 -0.490 0.000 2.668 580 F HA 0.233 4.760 4.527 0.000 0.000 0.301 580 F C 0.295 175.898 175.800 -0.329 0.000 1.106 580 F CA -0.576 57.138 58.000 -0.476 0.000 1.289 580 F CB 0.094 38.611 39.000 -0.806 0.000 1.006 580 F HN 0.024 nan 8.300 nan 0.000 0.535 581 N N 1.670 120.259 118.700 -0.185 0.000 2.702 581 N HA -0.223 4.517 4.740 -0.000 0.000 0.255 581 N C 0.030 175.389 175.510 -0.252 0.000 0.983 581 N CA 0.634 53.572 53.050 -0.187 0.000 0.768 581 N CB -0.459 37.956 38.487 -0.121 0.000 0.918 581 N HN 0.395 nan 8.380 nan 0.000 0.540 582 A N -0.324 122.357 122.820 -0.232 0.000 2.239 582 A HA 0.581 4.901 4.320 -0.000 0.000 0.303 582 A C 0.195 177.539 177.584 -0.400 0.000 1.114 582 A CA -0.174 51.760 52.037 -0.172 0.000 0.871 582 A CB 0.477 19.535 19.000 0.096 0.000 1.201 582 A HN 0.578 nan 8.150 nan 0.000 0.506 583 H N -0.730 118.391 119.070 0.085 0.000 2.767 583 H HA 0.324 4.880 4.556 -0.000 0.000 0.235 583 H C -0.819 174.543 175.328 0.057 0.000 1.256 583 H CA -0.395 55.693 56.048 0.066 0.000 0.957 583 H CB 0.013 29.808 29.762 0.055 0.000 2.117 583 H HN 0.381 nan 8.280 nan 0.000 0.602 584 L N 1.096 122.369 121.223 0.084 0.000 2.514 584 L HA -0.022 4.318 4.340 -0.000 0.000 0.280 584 L C 0.620 177.562 176.870 0.120 0.000 1.223 584 L CA 0.218 55.050 54.840 -0.013 0.000 0.864 584 L CB 0.375 42.214 42.059 -0.366 0.000 1.118 584 L HN 0.368 nan 8.230 nan 0.000 0.494 585 D N 2.083 122.626 120.400 0.239 0.000 2.383 585 D HA 0.206 4.846 4.640 -0.000 0.000 0.252 585 D C 0.356 176.846 176.300 0.317 0.000 1.166 585 D CA 0.011 54.164 54.000 0.255 0.000 0.879 585 D CB 1.653 42.604 40.800 0.251 0.000 1.164 585 D HN 0.568 nan 8.370 nan 0.000 0.462 586 A N 3.335 126.285 122.820 0.217 0.000 2.423 586 A HA 0.170 4.490 4.320 -0.000 0.000 0.246 586 A C 0.842 178.604 177.584 0.297 0.000 1.278 586 A CA -0.316 51.841 52.037 0.199 0.000 0.903 586 A CB -0.188 18.857 19.000 0.074 0.000 0.997 586 A HN 0.519 nan 8.150 nan 0.000 0.510 587 T N 1.271 115.980 114.554 0.258 0.000 2.946 587 T HA 0.228 4.578 4.350 -0.000 0.000 0.311 587 T C 1.577 176.396 174.700 0.198 0.000 1.063 587 T CA 1.141 63.351 62.100 0.184 0.000 1.139 587 T CB 0.953 69.885 68.868 0.107 0.000 0.994 587 T HN 0.550 nan 8.240 nan 0.000 0.547 588 T N -1.377 113.242 114.554 0.109 0.000 2.971 588 T HA 0.182 4.532 4.350 -0.000 0.000 0.252 588 T C 0.075 174.747 174.700 -0.047 0.000 1.022 588 T CA -0.219 61.887 62.100 0.010 0.000 0.980 588 T CB 0.453 69.354 68.868 0.055 0.000 1.044 588 T HN 0.409 nan 8.240 nan 0.000 0.501 589 D N 1.196 121.596 120.400 -0.001 0.000 2.391 589 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 589 D C -1.399 174.901 176.300 -0.000 0.000 1.069 589 D CA -0.595 53.414 54.000 0.015 0.000 0.831 589 D CB 1.668 42.489 40.800 0.034 0.000 1.204 589 D HN 0.258 nan 8.370 nan 0.000 0.503 590 Y N 2.566 122.789 120.300 -0.128 0.000 2.425 590 Y HA 0.277 4.827 4.550 -0.000 0.000 0.331 590 Y C -0.545 175.091 175.900 -0.441 0.000 1.157 590 Y CA -0.201 57.743 58.100 -0.260 0.000 1.372 590 Y CB 0.674 38.962 38.460 -0.287 0.000 1.253 590 Y HN 0.249 nan 8.280 nan 0.000 0.536 591 M N 10.391 129.287 119.600 -1.174 0.000 2.124 591 M HA 0.391 4.871 4.480 -0.000 0.000 0.280 591 M C -2.339 173.240 176.300 -1.202 0.000 0.954 591 M CA -2.806 51.871 55.300 -1.039 0.000 0.958 591 M CB 1.617 33.942 32.600 -0.458 0.000 1.611 591 M HN 0.410 nan 8.290 nan 0.000 0.449 592 P HA -0.010 nan 4.420 nan 0.000 0.225 592 P C -0.321 176.711 177.300 -0.447 0.000 1.156 592 P CA 1.126 63.748 63.100 -0.797 0.000 0.787 592 P CB 0.017 31.357 31.700 -0.600 0.000 0.802 593 H N 0.579 119.504 119.070 -0.241 0.000 2.496 593 H HA 0.494 5.050 4.556 -0.000 0.000 0.342 593 H C 0.343 175.582 175.328 -0.148 0.000 1.170 593 H CA -0.314 55.644 56.048 -0.149 0.000 1.274 593 H CB 1.013 30.711 29.762 -0.107 0.000 1.538 593 H HN -0.020 nan 8.280 nan 0.000 0.542 594 K N 0.957 121.374 120.400 0.029 0.000 2.318 594 K HA 0.468 4.788 4.320 -0.000 0.000 0.249 594 K C -0.184 176.414 176.600 -0.003 0.000 0.942 594 K CA -0.667 55.614 56.287 -0.010 0.000 0.808 594 K CB 3.046 35.542 32.500 -0.008 0.000 1.189 594 K HN 0.454 nan 8.250 nan 0.000 0.428 605 L N 3.798 125.025 121.223 0.006 0.000 2.499 605 L HA 0.269 4.609 4.340 -0.000 0.000 0.273 605 L C -1.877 174.991 176.870 -0.003 0.000 1.195 605 L CA -1.027 53.816 54.840 0.005 0.000 0.882 605 L CB -0.012 42.046 42.059 -0.001 0.000 1.133 605 L HN 0.091 nan 8.230 nan 0.000 0.483 606 P HA 0.228 nan 4.420 nan 0.000 0.279 606 P C -0.720 176.578 177.300 -0.004 0.000 1.239 606 P CA -0.578 62.522 63.100 -0.000 0.000 0.789 606 P CB 0.924 32.630 31.700 0.011 0.000 0.933 607 L N 2.263 123.478 121.223 -0.012 0.000 2.439 607 L HA 0.174 4.514 4.340 -0.000 0.000 0.269 607 L C 1.173 178.057 176.870 0.023 0.000 1.179 607 L CA 0.632 55.474 54.840 0.003 0.000 0.828 607 L CB -0.210 41.855 42.059 0.010 0.000 1.106 607 L HN 0.319 nan 8.230 nan 0.000 0.467 608 Q N 1.419 121.247 119.800 0.046 0.000 2.377 608 Q HA 0.632 4.972 4.340 -0.000 0.000 0.271 608 Q C -1.421 174.632 176.000 0.087 0.000 1.077 608 Q CA -0.911 54.930 55.803 0.064 0.000 0.820 608 Q CB 3.019 31.787 28.738 0.049 0.000 1.347 608 Q HN 0.325 nan 8.270 nan 0.000 0.444 609 V N 2.751 122.732 119.914 0.113 0.000 2.384 609 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 609 V C -0.549 175.556 176.094 0.017 0.000 1.020 609 V CA -0.635 61.724 62.300 0.099 0.000 0.850 609 V CB 1.396 33.327 31.823 0.180 0.000 0.987 609 V HN 0.558 nan 8.190 nan 0.000 0.436 610 K N 3.848 124.242 120.400 -0.009 0.000 2.579 610 K HA 0.751 5.071 4.320 -0.000 0.000 0.250 610 K C 0.412 176.976 176.600 -0.061 0.000 0.952 610 K CA 0.265 56.526 56.287 -0.043 0.000 0.857 610 K CB 1.732 34.215 32.500 -0.029 0.000 1.123 610 K HN 0.902 nan 8.250 nan 0.000 0.433 611 A N 3.435 126.204 122.820 -0.085 0.000 5.391 611 A HA -0.341 3.979 4.320 -0.000 0.000 0.315 611 A C 0.673 178.212 177.584 -0.075 0.000 1.874 611 A CA 1.748 53.733 52.037 -0.086 0.000 0.714 611 A CB -1.421 17.527 19.000 -0.086 0.000 1.335 611 A HN 0.888 nan 8.150 nan 0.000 0.382 612 N N 1.424 120.080 118.700 -0.073 0.000 2.322 612 N HA 0.179 4.919 4.740 -0.000 0.000 0.216 612 N C 0.095 175.553 175.510 -0.086 0.000 1.144 612 N CA 0.438 53.438 53.050 -0.083 0.000 0.830 612 N CB -0.148 38.296 38.487 -0.072 0.000 1.034 612 N HN 0.684 nan 8.380 nan 0.000 0.484 613 R N -0.290 120.171 120.500 -0.065 0.000 2.589 613 R HA 0.585 4.925 4.340 -0.000 0.000 0.293 613 R C -0.963 175.321 176.300 -0.026 0.000 0.963 613 R CA -0.858 55.211 56.100 -0.052 0.000 0.905 613 R CB 2.394 32.670 30.300 -0.041 0.000 1.144 613 R HN -0.123 nan 8.270 nan 0.000 0.459 614 V N 4.897 124.795 119.914 -0.027 0.000 2.350 614 V HA 0.338 4.458 4.120 -0.000 0.000 0.285 614 V C -0.769 175.349 176.094 0.039 0.000 1.014 614 V CA -0.772 61.536 62.300 0.014 0.000 0.831 614 V CB 1.224 33.007 31.823 -0.067 0.000 1.000 614 V HN 0.463 nan 8.190 nan 0.000 0.433 615 L N 5.620 126.876 121.223 0.055 0.000 2.330 615 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 615 L C -0.181 176.721 176.870 0.052 0.000 1.013 615 L CA -0.405 54.475 54.840 0.067 0.000 0.816 615 L CB 1.592 43.679 42.059 0.047 0.000 1.287 615 L HN 0.398 nan 8.230 nan 0.000 0.435 616 I N 0.634 121.235 120.570 0.051 0.000 2.331 616 I HA 0.247 4.416 4.170 -0.000 0.000 0.292 616 I C 0.173 176.300 176.117 0.017 0.000 0.998 616 I CA -0.335 60.955 61.300 -0.016 0.000 1.267 616 I CB 1.361 39.278 38.000 -0.139 0.000 1.386 616 I HN 0.583 nan 8.210 nan 0.000 0.476 617 S N 7.382 123.090 115.700 0.013 0.000 2.552 617 S HA 0.108 4.578 4.470 -0.000 0.000 0.289 617 S C -1.927 172.690 174.600 0.029 0.000 1.304 617 S CA -0.844 57.371 58.200 0.025 0.000 1.063 617 S CB -0.100 63.115 63.200 0.026 0.000 0.848 617 S HN 0.417 nan 8.310 nan 0.000 0.499 632 E N 0.723 120.950 120.200 0.045 0.000 2.317 632 E HA 0.515 4.865 4.350 -0.000 0.000 0.270 632 E C -1.880 174.760 176.600 0.066 0.000 0.899 632 E CA -0.203 56.254 56.400 0.095 0.000 0.814 632 E CB 2.001 31.771 29.700 0.117 0.000 1.296 632 E HN 0.509 nan 8.360 nan 0.000 0.404 633 I N 3.135 123.748 120.570 0.073 0.000 2.336 633 I HA 0.242 4.412 4.170 -0.000 0.000 0.292 633 I C 0.279 176.397 176.117 0.001 0.000 0.991 633 I CA -0.445 60.868 61.300 0.023 0.000 1.227 633 I CB 1.496 39.500 38.000 0.007 0.000 1.366 633 I HN 0.376 nan 8.210 nan 0.000 0.466 634 E N 7.794 127.947 120.200 -0.077 0.000 2.114 634 E HA 0.420 4.770 4.350 -0.000 0.000 0.266 634 E C -1.071 175.382 176.600 -0.245 0.000 0.896 634 E CA -0.637 55.574 56.400 -0.316 0.000 0.750 634 E CB 1.059 30.562 29.700 -0.329 0.000 1.121 634 E HN 0.529 nan 8.360 nan 0.000 0.413 635 L N 3.283 124.329 121.223 -0.294 0.000 2.464 635 L HA 0.098 4.438 4.340 -0.000 0.000 0.264 635 L C 1.425 178.301 176.870 0.010 0.000 1.199 635 L CA -0.436 54.288 54.840 -0.194 0.000 0.818 635 L CB 0.465 42.409 42.059 -0.191 0.000 1.102 635 L HN 0.705 nan 8.230 nan 0.000 0.473 636 D N -0.253 120.332 120.400 0.309 0.000 2.363 636 D HA 0.131 4.771 4.640 -0.000 0.000 0.226 636 D C 0.206 176.574 176.300 0.114 0.000 1.020 636 D CA 0.527 54.646 54.000 0.198 0.000 0.892 636 D CB 0.373 41.306 40.800 0.221 0.000 0.900 636 D HN 0.520 nan 8.370 nan 0.000 0.531 637 A N -0.541 122.338 122.820 0.097 0.000 2.511 637 A HA 0.543 4.863 4.320 -0.000 0.000 0.293 637 A C -1.399 176.064 177.584 -0.202 0.000 1.098 637 A CA -0.918 51.037 52.037 -0.136 0.000 0.643 637 A CB 0.325 19.120 19.000 -0.342 0.000 1.302 637 A HN 0.077 nan 8.150 nan 0.000 0.446 638 I N 1.092 121.495 120.570 -0.278 0.000 2.352 638 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 638 I C -1.151 174.755 176.117 -0.351 0.000 1.036 638 I CA 0.040 61.233 61.300 -0.178 0.000 1.336 638 I CB 0.387 38.337 38.000 -0.083 0.000 1.407 638 I HN 0.543 nan 8.210 nan 0.000 0.497 639 Y N 6.254 126.547 120.300 -0.011 0.000 2.499 639 Y HA 0.423 4.973 4.550 0.000 0.000 0.347 639 Y C -2.310 173.587 175.900 -0.004 0.000 0.987 639 Y CA -2.963 55.133 58.100 -0.006 0.000 1.044 639 Y CB 1.303 39.754 38.460 -0.016 0.000 1.245 639 Y HN 0.396 nan 8.280 nan 0.000 0.461 640 P HA 0.066 nan 4.420 nan 0.000 0.263 640 P C -0.018 177.332 177.300 0.083 0.000 1.195 640 P CA 0.049 63.204 63.100 0.092 0.000 0.762 640 P CB 0.488 32.229 31.700 0.069 0.000 0.799 641 G N 2.392 111.225 108.800 0.055 0.000 2.372 641 G HA2 0.181 4.141 3.960 -0.000 0.000 0.283 641 G HA3 0.181 4.141 3.960 -0.000 0.000 0.283 641 G C 0.443 175.349 174.900 0.011 0.000 1.177 641 G CA -0.121 44.998 45.100 0.030 0.000 0.842 641 G HN 0.339 nan 8.290 nan 0.000 0.503 642 E N 0.332 120.528 120.200 -0.007 0.000 2.134 642 E HA 0.153 4.503 4.350 -0.000 0.000 0.194 642 E C 0.530 177.115 176.600 -0.025 0.000 0.937 642 E CA 0.781 57.172 56.400 -0.015 0.000 0.874 642 E CB 0.376 30.062 29.700 -0.024 0.000 0.853 642 E HN 0.801 nan 8.360 nan 0.000 0.471 643 N N -1.335 117.341 118.700 -0.039 0.000 3.049 643 N HA 0.197 4.937 4.740 -0.000 0.000 0.244 643 N C -1.447 174.013 175.510 -0.083 0.000 1.203 643 N CA -0.489 52.528 53.050 -0.055 0.000 0.945 643 N CB 0.653 39.106 38.487 -0.057 0.000 1.616 643 N HN -0.143 nan 8.380 nan 0.000 0.505 644 I N 0.827 121.330 120.570 -0.111 0.000 2.428 644 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 644 I C 0.108 176.104 176.117 -0.203 0.000 1.019 644 I CA -0.536 60.648 61.300 -0.193 0.000 1.351 644 I CB 1.280 39.125 38.000 -0.258 0.000 1.412 644 I HN 0.523 nan 8.210 nan 0.000 0.513 645 Q N 5.204 124.864 119.800 -0.233 0.000 2.226 645 Q HA 0.727 5.066 4.340 -0.000 0.000 0.256 645 Q C -1.003 174.715 176.000 -0.469 0.000 0.962 645 Q CA -0.558 55.069 55.803 -0.294 0.000 0.887 645 Q CB 2.846 31.462 28.738 -0.204 0.000 1.282 645 Q HN 0.479 nan 8.270 nan 0.000 0.449 646 I N 0.327 120.589 120.570 -0.514 0.000 3.042 646 I HA 0.474 4.644 4.170 -0.000 0.000 0.310 646 I C -0.939 174.842 176.117 -0.561 0.000 1.117 646 I CA -0.771 60.133 61.300 -0.660 0.000 1.003 646 I CB 2.489 39.913 38.000 -0.961 0.000 1.228 646 I HN 0.588 nan 8.210 nan 0.000 0.443 647 N N 1.493 119.780 118.700 -0.689 0.000 2.406 647 N HA 0.615 5.354 4.740 -0.000 0.000 0.283 647 N C -1.769 173.338 175.510 -0.673 0.000 1.074 647 N CA -0.409 52.319 53.050 -0.536 0.000 0.916 647 N CB 1.591 39.927 38.487 -0.252 0.000 1.639 647 N HN 0.331 nan 8.380 nan 0.000 0.485 680 L N 1.690 122.843 121.223 -0.117 0.000 2.439 680 L HA 0.801 5.141 4.340 -0.000 0.000 0.269 680 L C 1.077 177.853 176.870 -0.156 0.000 1.179 680 L CA 0.566 55.331 54.840 -0.125 0.000 0.828 680 L CB 1.711 43.673 42.059 -0.161 0.000 1.106 680 L HN 0.929 nan 8.230 nan 0.000 0.467 681 S N 1.015 116.644 115.700 -0.119 0.000 2.565 681 S HA 0.904 5.374 4.470 -0.000 0.000 0.274 681 S C -1.281 173.269 174.600 -0.083 0.000 1.144 681 S CA -0.252 57.879 58.200 -0.116 0.000 0.849 681 S CB 1.762 64.907 63.200 -0.091 0.000 1.103 681 S HN 1.157 nan 8.310 nan 0.000 0.455 682 A N 1.434 124.204 122.820 -0.082 0.000 2.579 682 A HA 0.716 5.036 4.320 -0.000 0.000 0.288 682 A C 0.211 177.767 177.584 -0.046 0.000 1.079 682 A CA -0.195 51.810 52.037 -0.053 0.000 0.889 682 A CB 0.262 19.234 19.000 -0.046 0.000 1.439 682 A HN 1.888 nan 8.150 nan 0.000 0.399 683 G N 0.828 109.608 108.800 -0.033 0.000 2.380 683 G HA2 0.444 4.404 3.960 -0.000 0.000 0.242 683 G HA3 0.444 4.404 3.960 -0.000 0.000 0.242 683 G C 0.511 175.402 174.900 -0.014 0.000 1.298 683 G CA -0.312 44.773 45.100 -0.025 0.000 0.878 683 G HN 0.862 nan 8.290 nan 0.000 0.542 684 L N 1.033 122.250 121.223 -0.011 0.000 2.640 684 L HA 0.178 4.518 4.340 -0.000 0.000 0.230 684 L C 0.961 177.835 176.870 0.007 0.000 1.123 684 L CA -0.186 54.655 54.840 0.001 0.000 0.900 684 L CB -0.199 41.863 42.059 0.004 0.000 1.146 684 L HN 0.564 nan 8.230 nan 0.000 0.484 685 Q N 1.164 120.966 119.800 0.004 0.000 2.435 685 Q HA -0.221 4.119 4.340 -0.000 0.000 0.312 685 Q C -0.009 175.998 176.000 0.012 0.000 1.333 685 Q CA 0.409 56.216 55.803 0.007 0.000 0.883 685 Q CB -1.056 27.686 28.738 0.007 0.000 1.170 685 Q HN 0.275 nan 8.270 nan 0.000 0.443 686 K N -4.551 115.857 120.400 0.014 0.000 3.209 686 K HA -0.224 4.096 4.320 -0.000 0.000 0.289 686 K C -0.028 176.589 176.600 0.027 0.000 1.191 686 K CA 1.186 57.486 56.287 0.022 0.000 0.851 686 K CB -2.271 30.240 32.500 0.019 0.000 1.242 686 K HN 0.655 nan 8.250 nan 0.000 0.480 687 A N 1.645 124.481 122.820 0.027 0.000 2.488 687 A HA 0.389 4.709 4.320 -0.000 0.000 0.249 687 A C -1.967 175.642 177.584 0.042 0.000 1.083 687 A CA -0.880 51.176 52.037 0.032 0.000 0.768 687 A CB 0.012 19.030 19.000 0.031 0.000 1.017 687 A HN -0.070 nan 8.150 nan 0.000 0.496 688 P HA 0.170 nan 4.420 nan 0.000 0.263 688 P C -0.558 176.781 177.300 0.064 0.000 1.195 688 P CA 0.365 63.494 63.100 0.049 0.000 0.762 688 P CB 0.664 32.386 31.700 0.036 0.000 0.799 689 V N 4.234 124.195 119.914 0.079 0.000 2.709 689 V HA 0.410 4.530 4.120 -0.000 0.000 0.308 689 V C 0.474 176.621 176.094 0.090 0.000 1.062 689 V CA -0.332 62.022 62.300 0.090 0.000 0.901 689 V CB 2.009 33.877 31.823 0.076 0.000 1.003 689 V HN 0.546 nan 8.190 nan 0.000 0.425 690 K N 4.414 124.865 120.400 0.086 0.000 2.509 690 K HA 0.414 4.734 4.320 -0.000 0.000 0.205 690 K C -0.250 176.254 176.600 -0.160 0.000 1.336 690 K CA -0.058 56.206 56.287 -0.040 0.000 0.912 690 K CB 0.369 32.832 32.500 -0.063 0.000 1.568 690 K HN 0.491 nan 8.250 nan 0.000 0.475 691 F N 1.766 121.743 119.950 0.045 0.000 2.385 691 F HA 0.422 4.949 4.527 -0.000 0.000 0.336 691 F C -0.311 175.525 175.800 0.060 0.000 1.100 691 F CA -0.802 57.226 58.000 0.047 0.000 1.116 691 F CB 1.820 40.846 39.000 0.044 0.000 1.166 691 F HN -0.278 nan 8.300 nan 0.000 0.511 692 V N 3.285 123.343 119.914 0.240 0.000 2.686 692 V HA 0.566 4.686 4.120 -0.000 0.000 0.306 692 V C -0.712 175.528 176.094 0.242 0.000 1.065 692 V CA -0.912 61.516 62.300 0.214 0.000 0.894 692 V CB 2.092 34.027 31.823 0.187 0.000 1.004 692 V HN 0.752 nan 8.190 nan 0.000 0.424 693 R N 3.084 123.734 120.500 0.250 0.000 2.574 693 R HA 0.671 5.011 4.340 -0.000 0.000 0.288 693 R C -2.003 174.505 176.300 0.346 0.000 1.004 693 R CA -0.399 55.853 56.100 0.253 0.000 0.895 693 R CB 1.983 32.382 30.300 0.166 0.000 1.191 693 R HN 0.577 nan 8.270 nan 0.000 0.444 710 V N 5.413 125.300 119.914 -0.045 0.000 2.483 710 V HA 0.471 4.591 4.120 -0.000 0.000 0.297 710 V C -0.754 175.299 176.094 -0.069 0.000 1.027 710 V CA -0.761 61.532 62.300 -0.011 0.000 0.855 710 V CB 1.777 33.572 31.823 -0.047 0.000 0.995 710 V HN 0.474 nan 8.190 nan 0.000 0.424 711 L N 5.101 126.317 121.223 -0.011 0.000 2.264 711 L HA 0.675 5.015 4.340 -0.000 0.000 0.289 711 L C 0.271 177.104 176.870 -0.061 0.000 1.044 711 L CA 0.775 55.590 54.840 -0.042 0.000 0.807 711 L CB 1.439 43.492 42.059 -0.011 0.000 1.192 711 L HN 0.720 nan 8.230 nan 0.000 0.425 712 T N 6.862 121.375 114.554 -0.068 0.000 2.875 712 T HA 0.677 5.027 4.350 -0.000 0.000 0.284 712 T C -0.044 174.616 174.700 -0.066 0.000 0.995 712 T CA -0.177 61.882 62.100 -0.068 0.000 1.060 712 T CB 0.810 69.642 68.868 -0.060 0.000 0.967 712 T HN 0.615 nan 8.240 nan 0.000 0.476 713 I N -0.964 119.557 120.570 -0.082 0.000 3.042 713 I HA 0.616 4.785 4.170 -0.000 0.000 0.310 713 I C -0.335 175.759 176.117 -0.039 0.000 1.117 713 I CA -1.313 59.947 61.300 -0.067 0.000 1.003 713 I CB 2.167 40.074 38.000 -0.155 0.000 1.228 713 I HN 0.428 nan 8.210 nan 0.000 0.443 714 E N 3.637 123.848 120.200 0.018 0.000 2.129 714 E HA 0.266 4.616 4.350 -0.000 0.000 0.283 714 E C -1.003 175.640 176.600 0.071 0.000 1.080 714 E CA -0.155 56.268 56.400 0.039 0.000 0.867 714 E CB 0.815 30.549 29.700 0.057 0.000 1.056 714 E HN 0.580 nan 8.360 nan 0.000 0.404 715 K N 0.000 120.417 120.400 0.029 0.000 2.780 715 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 715 K CA 0.000 56.310 56.287 0.039 0.000 0.838 715 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 715 K HN 0.000 nan 8.250 nan 0.000 0.543