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 1b9j_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL cTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWcADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.623 177.584 0.065 0.000 1.274 1 A CA 0.000 52.117 52.037 0.133 0.000 0.836 1 A CB 0.000 19.131 19.000 0.219 0.000 0.831 2 D N 1.771 122.214 120.400 0.072 0.000 2.462 2 D HA 0.405 5.083 4.640 0.062 0.000 0.249 2 D C -0.441 175.810 176.300 -0.081 0.000 1.117 2 D CA 0.021 54.026 54.000 0.009 0.000 0.900 2 D CB 1.570 42.398 40.800 0.046 0.000 1.039 2 D HN 0.275 nan 8.370 nan 0.000 0.516 3 V N 3.954 123.732 119.914 -0.225 0.000 2.439 3 V HA 0.139 4.296 4.120 0.062 0.000 0.271 3 V C -1.681 174.274 176.094 -0.231 0.000 1.040 3 V CA -1.147 60.870 62.300 -0.472 0.000 1.002 3 V CB 0.256 31.768 31.823 -0.518 0.000 1.000 3 V HN 0.299 nan 8.190 nan 0.000 0.477 4 P HA 0.188 nan 4.420 nan 0.000 0.266 4 P C -0.050 177.220 177.300 -0.049 0.000 1.195 4 P CA -0.062 63.008 63.100 -0.049 0.000 0.768 4 P CB 0.414 32.124 31.700 0.018 0.000 0.838 5 A N 2.537 125.343 122.820 -0.023 0.000 2.565 5 A HA 0.384 4.741 4.320 0.062 0.000 0.237 5 A C 1.622 179.202 177.584 -0.006 0.000 1.053 5 A CA 0.756 52.783 52.037 -0.016 0.000 0.755 5 A CB -1.225 17.772 19.000 -0.005 0.000 0.980 5 A HN 0.951 nan 8.150 nan 0.000 0.506 6 G N 0.402 109.198 108.800 -0.007 0.000 2.234 6 G HA2 -0.115 3.882 3.960 0.062 0.000 0.260 6 G HA3 -0.115 3.882 3.960 0.062 0.000 0.260 6 G C 0.704 175.613 174.900 0.014 0.000 0.987 6 G CA 0.727 45.831 45.100 0.006 0.000 0.625 6 G HN 2.389 nan 8.290 nan 0.000 0.532 7 V N 0.139 120.058 119.914 0.008 0.000 2.686 7 V HA 0.635 4.792 4.120 0.062 0.000 0.295 7 V C 0.315 176.424 176.094 0.025 0.000 1.055 7 V CA -0.331 61.992 62.300 0.038 0.000 1.050 7 V CB 1.562 33.431 31.823 0.078 0.000 0.984 7 V HN 0.364 nan 8.190 nan 0.000 0.482 8 Q N 4.685 124.517 119.800 0.052 0.000 2.296 8 Q HA 0.476 4.854 4.340 0.062 0.000 0.257 8 Q C -0.807 175.234 176.000 0.068 0.000 0.942 8 Q CA -0.412 55.417 55.803 0.042 0.000 0.939 8 Q CB 1.681 30.442 28.738 0.038 0.000 1.198 8 Q HN 0.796 nan 8.270 nan 0.000 0.429 9 L N 1.713 122.966 121.223 0.050 0.000 2.375 9 L HA 0.418 4.795 4.340 0.062 0.000 0.271 9 L C 0.465 177.370 176.870 0.057 0.000 1.107 9 L CA -0.582 54.306 54.840 0.080 0.000 0.806 9 L CB 0.943 43.037 42.059 0.059 0.000 1.146 9 L HN 0.617 nan 8.230 nan 0.000 0.447 10 A N 1.310 124.174 122.820 0.074 0.000 2.466 10 A HA 0.033 4.391 4.320 0.062 0.000 0.238 10 A C 0.673 178.254 177.584 -0.005 0.000 1.074 10 A CA -0.279 51.762 52.037 0.007 0.000 0.774 10 A CB 0.151 19.149 19.000 -0.003 0.000 1.015 10 A HN 0.855 nan 8.150 nan 0.000 0.498 11 D N -0.027 120.348 120.400 -0.042 0.000 2.117 11 D HA -0.052 4.626 4.640 0.062 0.000 0.197 11 D C 0.728 177.015 176.300 -0.022 0.000 0.987 11 D CA 1.584 55.565 54.000 -0.033 0.000 0.829 11 D CB 0.087 40.857 40.800 -0.050 0.000 0.961 11 D HN 0.580 nan 8.370 nan 0.000 0.460 12 K N 0.992 121.371 120.400 -0.035 0.000 2.240 12 K HA 0.131 4.489 4.320 0.062 0.000 0.271 12 K C -0.591 176.016 176.600 0.011 0.000 1.018 12 K CA -0.364 55.912 56.287 -0.018 0.000 0.874 12 K CB 0.732 33.208 32.500 -0.040 0.000 1.098 12 K HN -0.249 nan 8.250 nan 0.000 0.458 13 Q N 3.415 123.235 119.800 0.034 0.000 2.834 13 Q HA 0.132 4.510 4.340 0.062 0.000 0.271 13 Q C -0.790 175.245 176.000 0.058 0.000 1.196 13 Q CA -0.175 55.667 55.803 0.065 0.000 1.063 13 Q CB 1.064 29.851 28.738 0.081 0.000 1.265 13 Q HN 0.786 nan 8.270 nan 0.000 0.526 14 T N -1.701 112.879 114.554 0.043 0.000 2.907 14 T HA 0.783 5.170 4.350 0.062 0.000 0.292 14 T C -0.652 174.056 174.700 0.014 0.000 1.043 14 T CA -0.893 61.219 62.100 0.020 0.000 1.003 14 T CB 1.922 70.793 68.868 0.004 0.000 1.084 14 T HN 0.216 nan 8.240 nan 0.000 0.483 15 L N 1.670 122.871 121.223 -0.038 0.000 2.431 15 L HA 0.781 5.158 4.340 0.062 0.000 0.266 15 L C -1.532 175.256 176.870 -0.137 0.000 0.978 15 L CA -0.694 54.103 54.840 -0.072 0.000 0.822 15 L CB 2.379 44.364 42.059 -0.123 0.000 1.310 15 L HN 0.721 nan 8.230 nan 0.000 0.409 16 V N 5.019 124.864 119.914 -0.116 0.000 2.444 16 V HA 0.619 4.777 4.120 0.062 0.000 0.294 16 V C -0.259 175.725 176.094 -0.184 0.000 1.022 16 V CA -0.572 61.639 62.300 -0.148 0.000 0.850 16 V CB 1.604 33.385 31.823 -0.070 0.000 0.992 16 V HN 0.699 nan 8.190 nan 0.000 0.426 17 R N 2.879 123.195 120.500 -0.306 0.000 2.637 17 R HA 0.463 4.841 4.340 0.062 0.000 0.291 17 R C -0.568 175.651 176.300 -0.136 0.000 0.963 17 R CA -0.860 55.083 56.100 -0.263 0.000 0.901 17 R CB 1.889 31.916 30.300 -0.455 0.000 1.160 17 R HN 0.687 nan 8.270 nan 0.000 0.457 18 N N 0.606 119.283 118.700 -0.038 0.000 2.513 18 N HA 0.031 4.808 4.740 0.062 0.000 0.274 18 N C -0.082 175.459 175.510 0.053 0.000 1.189 18 N CA -0.034 53.017 53.050 0.002 0.000 0.975 18 N CB 0.846 39.343 38.487 0.018 0.000 1.157 18 N HN 0.489 nan 8.380 nan 0.000 0.465 19 N N 0.773 119.444 118.700 -0.048 0.000 2.241 19 N HA 0.228 5.005 4.740 0.062 0.000 0.238 19 N C 0.638 175.732 175.510 -0.692 0.000 1.244 19 N CA 0.559 53.524 53.050 -0.141 0.000 0.880 19 N CB 0.184 38.665 38.487 -0.009 0.000 1.179 19 N HN 0.755 nan 8.380 nan 0.000 0.513 20 G N -0.177 108.135 108.800 -0.814 0.000 2.507 20 G HA2 -0.308 3.689 3.960 0.062 0.000 0.240 20 G HA3 -0.308 3.689 3.960 0.062 0.000 0.240 20 G C 0.123 174.642 174.900 -0.635 0.000 1.119 20 G CA 0.806 45.247 45.100 -1.099 0.000 0.664 20 G HN 1.065 nan 8.290 nan 0.000 0.516 21 S N -1.239 114.153 115.700 -0.514 0.000 2.655 21 S HA 0.551 5.059 4.470 0.062 0.000 0.266 21 S C -1.020 173.485 174.600 -0.158 0.000 1.149 21 S CA 0.122 58.143 58.200 -0.298 0.000 0.818 21 S CB 1.997 64.980 63.200 -0.362 0.000 1.130 21 S HN 1.118 nan 8.310 nan 0.000 0.476 22 E N 1.498 121.694 120.200 -0.006 0.000 2.344 22 E HA 0.424 4.811 4.350 0.062 0.000 0.270 22 E C 0.320 177.008 176.600 0.145 0.000 1.021 22 E CA -0.541 55.910 56.400 0.085 0.000 0.887 22 E CB 0.756 30.536 29.700 0.134 0.000 0.997 22 E HN 0.916 nan 8.360 nan 0.000 0.429 23 V N 2.659 122.634 119.914 0.101 0.000 2.999 23 V HA -0.037 4.120 4.120 0.062 0.000 0.307 23 V C 1.067 177.287 176.094 0.210 0.000 1.084 23 V CA 0.079 62.446 62.300 0.111 0.000 1.155 23 V CB 0.827 32.601 31.823 -0.082 0.000 0.975 23 V HN 0.876 nan 8.190 nan 0.000 0.490 24 Q N 1.673 121.595 119.800 0.203 0.000 2.079 24 Q HA 0.073 4.451 4.340 0.062 0.000 0.200 24 Q C 1.075 177.164 176.000 0.148 0.000 0.974 24 Q CA 1.689 57.581 55.803 0.147 0.000 0.840 24 Q CB 0.177 28.965 28.738 0.084 0.000 0.898 24 Q HN 0.977 nan 8.270 nan 0.000 0.430 25 S N -2.347 113.414 115.700 0.100 0.000 2.615 25 S HA 0.307 4.814 4.470 0.062 0.000 0.268 25 S C -0.937 173.604 174.600 -0.100 0.000 1.146 25 S CA -0.766 57.487 58.200 0.088 0.000 0.818 25 S CB 0.326 63.559 63.200 0.054 0.000 1.111 25 S HN 0.176 nan 8.310 nan 0.000 0.465 26 L N 1.301 122.412 121.223 -0.187 0.000 2.693 26 L HA 0.378 4.755 4.340 0.062 0.000 0.235 26 L C 0.122 176.868 176.870 -0.208 0.000 1.127 26 L CA -0.035 54.635 54.840 -0.283 0.000 0.914 26 L CB 0.248 42.041 42.059 -0.444 0.000 1.193 26 L HN 0.575 nan 8.230 nan 0.000 0.502 27 D N 1.393 121.684 120.400 -0.183 0.000 2.325 27 D HA 0.113 4.791 4.640 0.062 0.000 0.251 27 D C -1.688 174.549 176.300 -0.105 0.000 1.196 27 D CA -1.927 52.021 54.000 -0.087 0.000 0.866 27 D CB 1.944 42.810 40.800 0.110 0.000 1.101 27 D HN -0.122 nan 8.370 nan 0.000 0.476 28 P HA -0.126 nan 4.420 nan 0.000 0.218 28 P C 0.369 177.586 177.300 -0.138 0.000 1.146 28 P CA 1.331 64.258 63.100 -0.289 0.000 0.813 28 P CB 0.066 31.473 31.700 -0.487 0.000 0.778 29 H N -1.815 117.242 119.070 -0.021 0.000 2.539 29 H HA 0.161 4.754 4.556 0.062 0.000 0.267 29 H C 1.124 176.467 175.328 0.025 0.000 0.982 29 H CA 0.123 56.169 56.048 -0.003 0.000 1.146 29 H CB 0.307 30.070 29.762 0.001 0.000 1.382 29 H HN -0.037 nan 8.280 nan 0.000 0.577 30 K N 1.011 121.486 120.400 0.125 0.000 2.387 30 K HA 0.196 4.553 4.320 0.062 0.000 0.203 30 K C 0.288 176.927 176.600 0.065 0.000 1.030 30 K CA 0.048 56.387 56.287 0.087 0.000 1.099 30 K CB 0.864 33.413 32.500 0.081 0.000 0.863 30 K HN 0.388 nan 8.250 nan 0.000 0.529 31 I N -1.430 119.183 120.570 0.071 0.000 2.707 31 I HA 0.320 4.527 4.170 0.062 0.000 0.309 31 I C 0.590 176.818 176.117 0.184 0.000 1.001 31 I CA -0.578 60.767 61.300 0.075 0.000 1.129 31 I CB 1.666 39.668 38.000 0.004 0.000 1.308 31 I HN -0.003 nan 8.210 nan 0.000 0.466 32 E N 2.107 122.429 120.200 0.203 0.000 2.703 32 E HA 0.287 4.674 4.350 0.062 0.000 0.214 32 E C 0.344 177.107 176.600 0.273 0.000 0.944 32 E CA -0.355 56.269 56.400 0.374 0.000 1.299 32 E CB 0.686 30.543 29.700 0.261 0.000 1.189 32 E HN 0.811 nan 8.360 nan 0.000 0.597 33 G N 0.735 109.676 108.800 0.235 0.000 2.601 33 G HA2 0.387 4.384 3.960 0.062 0.000 0.317 33 G HA3 0.387 4.384 3.960 0.062 0.000 0.317 33 G C 0.829 175.828 174.900 0.165 0.000 1.246 33 G CA -0.443 44.862 45.100 0.342 0.000 1.012 33 G HN -0.047 nan 8.290 nan 0.000 0.494 34 V N 1.150 121.151 119.914 0.145 0.000 2.295 34 V HA -0.082 4.075 4.120 0.062 0.000 0.246 34 V C -0.141 175.950 176.094 -0.004 0.000 1.049 34 V CA 2.138 64.457 62.300 0.033 0.000 1.024 34 V CB -0.853 31.008 31.823 0.064 0.000 0.648 34 V HN 0.516 nan 8.190 nan 0.000 0.447 35 P HA -0.109 nan 4.420 nan 0.000 0.216 35 P C 1.465 178.672 177.300 -0.156 0.000 1.153 35 P CA 1.204 64.200 63.100 -0.174 0.000 0.848 35 P CB 0.040 31.517 31.700 -0.371 0.000 0.787 36 E N -0.640 119.531 120.200 -0.048 0.000 2.051 36 E HA -0.115 4.272 4.350 0.062 0.000 0.192 36 E C 2.138 178.633 176.600 -0.175 0.000 0.991 36 E CA 1.499 57.844 56.400 -0.091 0.000 0.799 36 E CB -1.038 28.666 29.700 0.006 0.000 0.748 36 E HN 0.128 nan 8.360 nan 0.000 0.449 37 S N 0.654 116.258 115.700 -0.159 0.000 2.402 37 S HA -0.071 4.436 4.470 0.062 0.000 0.229 37 S C 1.559 176.013 174.600 -0.244 0.000 1.021 37 S CA 0.603 58.670 58.200 -0.222 0.000 0.974 37 S CB -0.227 62.831 63.200 -0.235 0.000 0.800 37 S HN 0.239 nan 8.310 nan 0.000 0.484 38 N N 1.504 120.064 118.700 -0.233 0.000 2.069 38 N HA -0.066 4.711 4.740 0.062 0.000 0.191 38 N C 1.696 176.935 175.510 -0.452 0.000 1.031 38 N CA 1.093 53.983 53.050 -0.265 0.000 0.852 38 N CB -0.627 37.751 38.487 -0.183 0.000 1.018 38 N HN 0.227 nan 8.380 nan 0.000 0.423 39 V N 0.090 119.639 119.914 -0.609 0.000 2.379 39 V HA -0.097 4.060 4.120 0.062 0.000 0.245 39 V C 2.436 178.311 176.094 -0.366 0.000 1.044 39 V CA 1.360 63.231 62.300 -0.714 0.000 1.036 39 V CB -0.677 30.715 31.823 -0.719 0.000 0.664 39 V HN 0.282 nan 8.190 nan 0.000 0.453 40 S N -0.235 115.312 115.700 -0.255 0.000 2.370 40 S HA -0.230 4.278 4.470 0.062 0.000 0.226 40 S C 2.166 176.722 174.600 -0.073 0.000 1.033 40 S CA 1.646 59.795 58.200 -0.085 0.000 1.011 40 S CB -0.260 62.883 63.200 -0.095 0.000 0.852 40 S HN 0.546 nan 8.310 nan 0.000 0.457 41 R N 0.450 120.841 120.500 -0.180 0.000 2.152 41 R HA -0.033 4.344 4.340 0.062 0.000 0.232 41 R C 1.483 177.750 176.300 -0.054 0.000 1.117 41 R CA 1.374 57.366 56.100 -0.180 0.000 0.981 41 R CB -0.265 29.694 30.300 -0.567 0.000 0.870 41 R HN 0.408 nan 8.270 nan 0.000 0.451 42 D N 0.221 120.574 120.400 -0.079 0.000 2.234 42 D HA -0.032 4.645 4.640 0.062 0.000 0.205 42 D C 1.767 178.061 176.300 -0.010 0.000 0.962 42 D CA 0.903 54.928 54.000 0.041 0.000 0.855 42 D CB 0.257 41.043 40.800 -0.023 0.000 0.951 42 D HN 0.216 nan 8.370 nan 0.000 0.500 43 L N -1.412 119.722 121.223 -0.149 0.000 2.388 43 L HA 0.157 4.535 4.340 0.062 0.000 0.209 43 L C 0.024 176.548 176.870 -0.577 0.000 1.061 43 L CA 0.320 54.920 54.840 -0.399 0.000 0.834 43 L CB 0.278 41.962 42.059 -0.625 0.000 1.029 43 L HN -0.172 nan 8.230 nan 0.000 0.473 44 F N 0.101 120.067 119.950 0.027 0.000 2.493 44 F HA 0.397 4.960 4.527 0.061 0.000 0.329 44 F C 0.066 175.899 175.800 0.055 0.000 1.126 44 F CA -0.860 57.170 58.000 0.050 0.000 0.937 44 F CB 1.565 40.604 39.000 0.066 0.000 1.146 44 F HN -0.177 nan 8.300 nan 0.000 0.442 45 E N 1.963 122.291 120.200 0.213 0.000 2.176 45 E HA 0.607 4.994 4.350 0.062 0.000 0.267 45 E C 0.000 176.770 176.600 0.283 0.000 0.893 45 E CA -0.553 55.996 56.400 0.249 0.000 0.761 45 E CB 1.473 31.349 29.700 0.293 0.000 1.133 45 E HN 0.816 nan 8.360 nan 0.000 0.409 46 G N 2.925 111.907 108.800 0.303 0.000 2.509 46 G HA2 0.130 4.127 3.960 0.062 0.000 0.269 46 G HA3 0.130 4.127 3.960 0.062 0.000 0.269 46 G C 0.892 175.953 174.900 0.267 0.000 1.416 46 G CA -0.488 44.846 45.100 0.390 0.000 1.052 46 G HN 0.611 nan 8.290 nan 0.000 0.542 47 L N -1.381 119.865 121.223 0.037 0.000 2.012 47 L HA 0.027 4.405 4.340 0.062 0.000 0.210 47 L C 0.636 177.444 176.870 -0.104 0.000 1.073 47 L CA 0.832 55.506 54.840 -0.276 0.000 0.748 47 L CB -0.476 41.185 42.059 -0.662 0.000 0.891 47 L HN 0.121 nan 8.230 nan 0.000 0.431 48 L N -1.547 119.637 121.223 -0.066 0.000 2.301 48 L HA 0.563 4.940 4.340 0.062 0.000 0.264 48 L C -0.310 176.637 176.870 0.128 0.000 1.016 48 L CA -0.492 54.354 54.840 0.011 0.000 0.821 48 L CB 2.053 44.056 42.059 -0.092 0.000 1.346 48 L HN -0.041 nan 8.230 nan 0.000 0.429 49 I N -3.418 117.252 120.570 0.167 0.000 3.145 49 I HA 0.679 4.886 4.170 0.062 0.000 0.313 49 I C -0.628 175.595 176.117 0.176 0.000 1.122 49 I CA -0.715 60.688 61.300 0.172 0.000 0.987 49 I CB 2.270 40.251 38.000 -0.033 0.000 1.236 49 I HN 0.328 nan 8.210 nan 0.000 0.453 50 S N 1.827 117.666 115.700 0.232 0.000 2.562 50 S HA 0.261 4.768 4.470 0.062 0.000 0.275 50 S C -0.519 174.158 174.600 0.128 0.000 1.281 50 S CA -0.623 57.721 58.200 0.240 0.000 1.045 50 S CB 0.835 64.234 63.200 0.331 0.000 0.962 50 S HN 0.792 nan 8.310 nan 0.000 0.503 51 D N 0.982 121.474 120.400 0.154 0.000 2.376 51 D HA 0.040 4.717 4.640 0.062 0.000 0.268 51 D C 1.600 177.969 176.300 0.115 0.000 1.252 51 D CA -0.572 53.502 54.000 0.123 0.000 1.041 51 D CB -0.387 40.531 40.800 0.196 0.000 1.109 51 D HN 0.268 nan 8.370 nan 0.000 0.552 52 V N -3.125 116.853 119.914 0.107 0.000 3.078 52 V HA -0.036 4.121 4.120 0.062 0.000 0.265 52 V C 1.313 177.419 176.094 0.020 0.000 1.122 52 V CA 1.339 63.693 62.300 0.090 0.000 1.141 52 V CB -1.167 30.710 31.823 0.090 0.000 0.735 52 V HN 0.513 nan 8.190 nan 0.000 0.498 53 E N 0.592 120.771 120.200 -0.035 0.000 2.498 53 E HA 0.389 4.776 4.350 0.062 0.000 0.203 53 E C 1.591 178.027 176.600 -0.274 0.000 1.013 53 E CA 0.451 56.751 56.400 -0.167 0.000 0.927 53 E CB 0.721 30.311 29.700 -0.182 0.000 1.012 53 E HN 0.745 nan 8.360 nan 0.000 0.482 54 G N 1.784 110.499 108.800 -0.141 0.000 2.175 54 G HA2 -0.247 3.750 3.960 0.062 0.000 0.244 54 G HA3 -0.247 3.750 3.960 0.062 0.000 0.244 54 G C -0.172 174.718 174.900 -0.017 0.000 0.982 54 G CA -0.122 44.947 45.100 -0.053 0.000 0.641 54 G HN 0.426 nan 8.290 nan 0.000 0.527 55 H N 1.511 120.676 119.070 0.157 0.000 2.764 55 H HA 0.404 4.982 4.556 0.035 0.000 0.341 55 H C -2.170 173.293 175.328 0.226 0.000 1.072 55 H CA -1.263 54.898 56.048 0.189 0.000 1.444 55 H CB 0.731 30.601 29.762 0.180 0.000 1.458 55 H HN 0.123 nan 8.280 nan 0.000 0.572 56 P HA -0.012 nan 4.420 nan 0.000 0.267 56 P C -0.767 176.787 177.300 0.423 0.000 1.205 56 P CA 0.250 63.577 63.100 0.378 0.000 0.765 56 P CB 0.832 32.814 31.700 0.470 0.000 0.828 57 S N 2.880 118.800 115.700 0.368 0.000 2.638 57 S HA 0.704 5.211 4.470 0.062 0.000 0.274 57 S C -3.141 171.716 174.600 0.428 0.000 1.157 57 S CA -2.330 56.113 58.200 0.405 0.000 0.826 57 S CB 0.988 64.363 63.200 0.293 0.000 1.139 57 S HN 0.039 nan 8.310 nan 0.000 0.474 58 P HA 0.288 nan 4.420 nan 0.000 0.264 58 P C 0.323 177.817 177.300 0.324 0.000 1.193 58 P CA 0.381 63.757 63.100 0.461 0.000 0.763 58 P CB 0.409 32.300 31.700 0.320 0.000 0.810 59 G N 1.391 110.344 108.800 0.255 0.000 3.110 59 G HA2 0.115 4.112 3.960 0.062 0.000 0.207 59 G HA3 0.115 4.112 3.960 0.062 0.000 0.207 59 G C 1.012 176.018 174.900 0.176 0.000 1.841 59 G CA -0.228 45.046 45.100 0.290 0.000 0.751 59 G HN 0.268 nan 8.290 nan 0.000 0.771 60 V N 1.915 121.915 119.914 0.143 0.000 2.427 60 V HA 0.168 4.326 4.120 0.062 0.000 0.248 60 V C 1.871 177.922 176.094 -0.072 0.000 1.051 60 V CA 1.354 63.659 62.300 0.008 0.000 1.048 60 V CB -0.764 31.146 31.823 0.144 0.000 0.666 60 V HN 0.598 nan 8.190 nan 0.000 0.456 61 A N 0.963 123.785 122.820 0.003 0.000 2.404 61 A HA 0.249 4.606 4.320 0.062 0.000 0.273 61 A C 1.306 179.039 177.584 0.248 0.000 1.144 61 A CA -0.037 52.096 52.037 0.160 0.000 0.806 61 A CB 0.093 19.294 19.000 0.335 0.000 1.080 61 A HN 0.652 nan 8.150 nan 0.000 0.509 62 E N 2.733 123.015 120.200 0.137 0.000 2.230 62 E HA 0.014 4.401 4.350 0.062 0.000 0.192 62 E C 0.368 177.036 176.600 0.113 0.000 0.987 62 E CA 0.929 57.367 56.400 0.063 0.000 0.841 62 E CB -0.121 29.524 29.700 -0.091 0.000 0.783 62 E HN 0.717 nan 8.360 nan 0.000 0.481 63 K N -0.500 120.034 120.400 0.223 0.000 2.575 63 K HA 0.490 4.847 4.320 0.062 0.000 0.279 63 K C -1.945 174.855 176.600 0.333 0.000 0.969 63 K CA -1.103 55.178 56.287 -0.010 0.000 0.868 63 K CB 1.171 33.589 32.500 -0.136 0.000 1.457 63 K HN 0.161 nan 8.250 nan 0.000 0.426 64 W N 0.019 121.389 121.300 0.117 0.000 3.137 64 W HA 0.663 5.355 4.660 0.054 0.000 0.324 64 W C -1.577 174.900 176.519 -0.071 0.000 1.253 64 W CA -0.571 56.754 57.345 -0.032 0.000 1.183 64 W CB 1.158 30.501 29.460 -0.195 0.000 1.424 64 W HN 0.633 nan 8.180 nan 0.000 0.566 65 E N 1.266 121.488 120.200 0.037 0.000 2.416 65 E HA 0.509 4.897 4.350 0.062 0.000 0.273 65 E C -1.190 175.248 176.600 -0.270 0.000 0.935 65 E CA -1.164 55.175 56.400 -0.102 0.000 0.784 65 E CB 2.053 31.687 29.700 -0.110 0.000 1.301 65 E HN 0.529 nan 8.360 nan 0.000 0.454 66 N N -0.560 117.849 118.700 -0.485 0.000 2.262 66 N HA 0.593 5.370 4.740 0.062 0.000 0.295 66 N C -1.466 173.661 175.510 -0.639 0.000 1.161 66 N CA -1.072 51.445 53.050 -0.888 0.000 0.767 66 N CB 1.566 38.964 38.487 -1.815 0.000 1.499 66 N HN 0.143 nan 8.380 nan 0.000 0.476 67 K N 0.905 120.952 120.400 -0.588 0.000 2.425 67 K HA 0.325 4.682 4.320 0.062 0.000 0.259 67 K C -1.030 175.319 176.600 -0.417 0.000 0.978 67 K CA -0.352 55.685 56.287 -0.415 0.000 0.883 67 K CB -0.011 32.327 32.500 -0.271 0.000 1.110 67 K HN 0.668 nan 8.250 nan 0.000 0.436 68 D N 4.562 124.679 120.400 -0.472 0.000 2.911 68 D HA -0.244 4.433 4.640 0.062 0.000 0.227 68 D C -0.490 175.638 176.300 -0.286 0.000 1.164 68 D CA 1.208 54.976 54.000 -0.387 0.000 0.782 68 D CB -1.263 39.438 40.800 -0.165 0.000 1.094 68 D HN 0.736 nan 8.370 nan 0.000 0.425 69 F N -2.182 117.629 119.950 -0.232 0.000 3.069 69 F HA -0.329 4.235 4.527 0.061 0.000 0.285 69 F C 1.599 177.458 175.800 0.100 0.000 0.827 69 F CA 1.519 59.466 58.000 -0.087 0.000 1.108 69 F CB -2.110 37.001 39.000 0.183 0.000 1.252 69 F HN 0.223 nan 8.300 nan 0.000 0.483 70 K N -1.130 119.270 120.400 -0.000 0.000 2.424 70 K HA 0.405 4.762 4.320 0.062 0.000 0.198 70 K C 0.138 176.754 176.600 0.027 0.000 1.190 70 K CA 0.545 56.877 56.287 0.074 0.000 0.935 70 K CB 1.254 33.764 32.500 0.016 0.000 1.087 70 K HN 0.013 nan 8.250 nan 0.000 0.524 71 V N 1.740 121.555 119.914 -0.164 0.000 2.378 71 V HA 0.283 4.441 4.120 0.062 0.000 0.288 71 V C -1.562 174.373 176.094 -0.264 0.000 1.016 71 V CA -0.716 61.515 62.300 -0.116 0.000 0.840 71 V CB 0.867 32.617 31.823 -0.121 0.000 0.994 71 V HN 0.167 nan 8.190 nan 0.000 0.431 72 W N 2.479 123.714 121.300 -0.109 0.000 2.417 72 W HA 0.640 5.336 4.660 0.061 0.000 0.315 72 W C 0.152 176.494 176.519 -0.294 0.000 1.045 72 W CA -0.428 56.827 57.345 -0.150 0.000 1.221 72 W CB 2.009 31.529 29.460 0.100 0.000 1.309 72 W HN 0.370 nan 8.180 nan 0.000 0.453 73 T N 4.295 118.674 114.554 -0.291 0.000 2.772 73 T HA 0.480 4.867 4.350 0.062 0.000 0.288 73 T C -1.038 173.334 174.700 -0.546 0.000 0.994 73 T CA -0.495 61.406 62.100 -0.332 0.000 0.951 73 T CB 0.259 68.977 68.868 -0.250 0.000 0.933 73 T HN -0.022 nan 8.240 nan 0.000 0.447 74 F N 2.861 122.751 119.950 -0.100 0.000 2.411 74 F HA 0.325 4.888 4.527 0.060 0.000 0.352 74 F C 0.983 176.658 175.800 -0.208 0.000 1.123 74 F CA -0.996 56.992 58.000 -0.019 0.000 1.044 74 F CB 1.017 40.052 39.000 0.058 0.000 1.135 74 F HN 0.501 nan 8.300 nan 0.000 0.461 75 H N 5.474 124.707 119.070 0.272 0.000 2.761 75 H HA 0.301 4.894 4.556 0.061 0.000 0.284 75 H C -0.167 175.240 175.328 0.131 0.000 1.105 75 H CA -0.346 55.796 56.048 0.156 0.000 1.352 75 H CB 0.754 30.562 29.762 0.077 0.000 1.423 75 H HN 0.447 nan 8.280 nan 0.000 0.464 76 L N 4.165 125.494 121.223 0.177 0.000 2.349 76 L HA 0.223 4.600 4.340 0.062 0.000 0.275 76 L C 1.231 178.109 176.870 0.014 0.000 1.115 76 L CA -0.605 54.288 54.840 0.089 0.000 0.820 76 L CB 0.638 42.764 42.059 0.112 0.000 1.135 76 L HN 0.488 nan 8.230 nan 0.000 0.445 77 R N 2.368 122.796 120.500 -0.119 0.000 2.623 77 R HA 0.016 4.394 4.340 0.062 0.000 0.271 77 R C 0.225 176.391 176.300 -0.224 0.000 1.043 77 R CA -0.212 55.749 56.100 -0.232 0.000 1.083 77 R CB 0.660 30.693 30.300 -0.445 0.000 0.974 77 R HN 0.658 nan 8.270 nan 0.000 0.436 78 E N 1.424 121.445 120.200 -0.300 0.000 2.268 78 E HA -0.158 4.229 4.350 0.062 0.000 0.195 78 E C 0.599 177.108 176.600 -0.153 0.000 0.995 78 E CA 1.157 57.313 56.400 -0.408 0.000 0.836 78 E CB 0.031 29.504 29.700 -0.379 0.000 0.763 78 E HN 0.747 nan 8.360 nan 0.000 0.491 79 N N 0.666 119.304 118.700 -0.103 0.000 2.268 79 N HA 0.050 4.827 4.740 0.062 0.000 0.204 79 N C -0.242 175.291 175.510 0.038 0.000 1.124 79 N CA -0.030 53.015 53.050 -0.007 0.000 0.838 79 N CB 0.179 38.675 38.487 0.016 0.000 0.994 79 N HN -0.107 nan 8.380 nan 0.000 0.489 80 A N 0.732 123.547 122.820 -0.009 0.000 2.454 80 A HA 0.411 4.768 4.320 0.062 0.000 0.260 80 A C 0.036 177.664 177.584 0.074 0.000 1.106 80 A CA -0.061 52.001 52.037 0.042 0.000 0.780 80 A CB 0.258 19.240 19.000 -0.029 0.000 1.044 80 A HN 0.356 nan 8.150 nan 0.000 0.498 81 K N 1.288 121.744 120.400 0.093 0.000 2.444 81 K HA 0.441 4.798 4.320 0.062 0.000 0.252 81 K C -1.244 175.384 176.600 0.046 0.000 0.993 81 K CA -0.538 55.806 56.287 0.095 0.000 0.847 81 K CB 1.575 34.166 32.500 0.152 0.000 1.340 81 K HN 0.759 nan 8.250 nan 0.000 0.446 82 W N 0.313 121.700 121.300 0.145 0.000 2.089 82 W HA 0.048 4.747 4.660 0.066 0.000 0.362 82 W C 1.634 178.216 176.519 0.105 0.000 1.362 82 W CA -0.107 57.315 57.345 0.128 0.000 1.460 82 W CB 0.619 30.146 29.460 0.112 0.000 1.204 82 W HN 0.712 nan 8.180 nan 0.000 0.657 83 S N -0.528 115.393 115.700 0.368 0.000 2.507 83 S HA -0.204 4.303 4.470 0.062 0.000 0.235 83 S C 0.850 175.556 174.600 0.178 0.000 0.988 83 S CA 1.272 59.598 58.200 0.211 0.000 0.944 83 S CB -0.500 62.794 63.200 0.156 0.000 0.762 83 S HN 0.596 nan 8.310 nan 0.000 0.526 84 D N 0.129 120.655 120.400 0.210 0.000 2.325 84 D HA 0.290 4.967 4.640 0.062 0.000 0.225 84 D C 1.368 177.756 176.300 0.146 0.000 1.096 84 D CA 0.401 54.489 54.000 0.146 0.000 0.844 84 D CB -0.533 40.335 40.800 0.114 0.000 0.925 84 D HN 0.467 nan 8.370 nan 0.000 0.513 85 G N 0.278 109.183 108.800 0.175 0.000 2.205 85 G HA2 -0.294 3.703 3.960 0.062 0.000 0.261 85 G HA3 -0.294 3.703 3.960 0.062 0.000 0.261 85 G C 0.557 175.563 174.900 0.178 0.000 0.980 85 G CA 0.602 45.795 45.100 0.154 0.000 0.632 85 G HN 0.822 nan 8.290 nan 0.000 0.533 86 T N -0.038 114.652 114.554 0.226 0.000 2.904 86 T HA 0.608 4.996 4.350 0.062 0.000 0.290 86 T C -2.306 172.594 174.700 0.333 0.000 1.018 86 T CA -1.398 60.846 62.100 0.239 0.000 1.075 86 T CB 2.158 71.141 68.868 0.191 0.000 0.986 86 T HN 0.089 nan 8.240 nan 0.000 0.523 87 P HA 0.253 nan 4.420 nan 0.000 0.271 87 P C -0.636 176.860 177.300 0.326 0.000 1.218 87 P CA -0.526 62.730 63.100 0.260 0.000 0.780 87 P CB 0.416 32.255 31.700 0.233 0.000 0.901 88 V N 3.354 123.362 119.914 0.157 0.000 2.432 88 V HA 0.349 4.506 4.120 0.062 0.000 0.271 88 V C 0.897 177.108 176.094 0.196 0.000 1.046 88 V CA 0.163 62.506 62.300 0.072 0.000 0.945 88 V CB 0.578 32.272 31.823 -0.214 0.000 0.992 88 V HN 0.741 nan 8.190 nan 0.000 0.471 89 T N 1.918 116.615 114.554 0.237 0.000 2.883 89 T HA 0.681 5.068 4.350 0.062 0.000 0.284 89 T C 1.095 175.880 174.700 0.143 0.000 1.041 89 T CA -0.058 62.132 62.100 0.150 0.000 1.007 89 T CB 1.965 70.920 68.868 0.145 0.000 1.220 89 T HN 0.570 nan 8.240 nan 0.000 0.552 90 A N -0.164 122.638 122.820 -0.030 0.000 2.015 90 A HA -0.054 4.303 4.320 0.062 0.000 0.219 90 A C 2.100 179.645 177.584 -0.065 0.000 1.163 90 A CA 1.145 53.155 52.037 -0.044 0.000 0.646 90 A CB -1.280 17.686 19.000 -0.057 0.000 0.806 90 A HN 0.943 nan 8.150 nan 0.000 0.448 91 H N 0.433 119.586 119.070 0.138 0.000 2.421 91 H HA -0.106 4.488 4.556 0.063 0.000 0.298 91 H C 1.281 176.689 175.328 0.133 0.000 1.087 91 H CA 1.462 57.587 56.048 0.129 0.000 1.330 91 H CB -0.259 29.553 29.762 0.083 0.000 1.388 91 H HN 0.495 nan 8.280 nan 0.000 0.526 92 D N 0.530 121.058 120.400 0.212 0.000 2.117 92 D HA -0.121 4.556 4.640 0.062 0.000 0.197 92 D C 2.023 178.318 176.300 -0.007 0.000 0.987 92 D CA 0.821 54.910 54.000 0.148 0.000 0.829 92 D CB -0.435 40.491 40.800 0.211 0.000 0.961 92 D HN 0.283 nan 8.370 nan 0.000 0.460 93 F N 0.754 120.585 119.950 -0.199 0.000 2.234 93 F HA -0.120 4.444 4.527 0.061 0.000 0.299 93 F C 2.506 178.053 175.800 -0.422 0.000 1.087 93 F CA 0.320 57.953 58.000 -0.612 0.000 1.340 93 F CB -0.506 37.504 39.000 -1.651 0.000 1.031 93 F HN -0.186 nan 8.300 nan 0.000 0.500 94 V N -0.650 119.316 119.914 0.087 0.000 2.261 94 V HA -0.336 3.821 4.120 0.062 0.000 0.246 94 V C 2.103 178.347 176.094 0.250 0.000 1.047 94 V CA 2.066 64.536 62.300 0.283 0.000 1.015 94 V CB -0.838 31.173 31.823 0.312 0.000 0.642 94 V HN 0.411 nan 8.190 nan 0.000 0.446 95 Y N 1.437 121.812 120.300 0.126 0.000 2.128 95 Y HA -0.263 4.324 4.550 0.062 0.000 0.284 95 Y C 2.714 178.695 175.900 0.134 0.000 1.154 95 Y CA 2.041 60.202 58.100 0.101 0.000 1.149 95 Y CB -0.445 38.046 38.460 0.051 0.000 0.976 95 Y HN 0.237 nan 8.280 nan 0.000 0.505 96 S N -0.457 115.301 115.700 0.098 0.000 2.368 96 S HA -0.199 4.308 4.470 0.062 0.000 0.225 96 S C 1.519 176.271 174.600 0.252 0.000 1.030 96 S CA 1.441 59.732 58.200 0.153 0.000 0.999 96 S CB -0.694 62.656 63.200 0.249 0.000 0.844 96 S HN 0.640 nan 8.310 nan 0.000 0.459 97 W N 2.237 123.556 121.300 0.032 0.000 2.402 97 W HA 0.081 4.777 4.660 0.060 0.000 0.286 97 W C 2.428 178.915 176.519 -0.054 0.000 1.221 97 W CA -0.141 57.233 57.345 0.048 0.000 1.257 97 W CB -1.091 28.502 29.460 0.221 0.000 1.120 97 W HN 0.404 nan 8.180 nan 0.000 0.551 98 Q N -0.099 119.787 119.800 0.143 0.000 2.084 98 Q HA -0.196 4.181 4.340 0.062 0.000 0.202 98 Q C 2.305 178.215 176.000 -0.150 0.000 0.978 98 Q CA 1.722 57.529 55.803 0.008 0.000 0.844 98 Q CB -0.435 28.306 28.738 0.004 0.000 0.898 98 Q HN 0.256 nan 8.270 nan 0.000 0.426 99 R N 0.564 120.868 120.500 -0.327 0.000 2.081 99 R HA -0.172 4.206 4.340 0.062 0.000 0.235 99 R C 2.230 178.248 176.300 -0.469 0.000 1.131 99 R CA 0.999 56.856 56.100 -0.405 0.000 0.960 99 R CB -0.240 29.754 30.300 -0.511 0.000 0.856 99 R HN 0.228 nan 8.270 nan 0.000 0.436 100 L N 0.676 121.485 121.223 -0.689 0.000 2.042 100 L HA -0.069 4.309 4.340 0.062 0.000 0.210 100 L C 2.180 178.894 176.870 -0.260 0.000 1.076 100 L CA 2.262 56.737 54.840 -0.608 0.000 0.749 100 L CB -0.663 41.100 42.059 -0.494 0.000 0.893 100 L HN 0.243 nan 8.230 nan 0.000 0.432 101 A N -1.393 121.331 122.820 -0.159 0.000 2.014 101 A HA -0.108 4.250 4.320 0.062 0.000 0.218 101 A C 1.010 178.550 177.584 -0.075 0.000 1.163 101 A CA 0.656 52.642 52.037 -0.084 0.000 0.652 101 A CB -0.778 18.209 19.000 -0.022 0.000 0.808 101 A HN 0.522 nan 8.150 nan 0.000 0.449 102 D N 0.010 120.355 120.400 -0.091 0.000 2.434 102 D HA 0.131 4.808 4.640 0.062 0.000 0.252 102 D C -1.601 174.666 176.300 -0.055 0.000 1.185 102 D CA -1.870 52.092 54.000 -0.063 0.000 0.886 102 D CB 1.072 41.829 40.800 -0.072 0.000 1.148 102 D HN 0.029 nan 8.370 nan 0.000 0.483 103 P HA -0.126 nan 4.420 nan 0.000 0.218 103 P C 0.818 178.104 177.300 -0.024 0.000 1.148 103 P CA 0.792 63.875 63.100 -0.029 0.000 0.822 103 P CB 0.258 31.947 31.700 -0.018 0.000 0.784 104 N N -1.289 117.400 118.700 -0.019 0.000 2.364 104 N HA -0.070 4.707 4.740 0.062 0.000 0.183 104 N C 1.406 176.912 175.510 -0.007 0.000 1.022 104 N CA 1.232 54.277 53.050 -0.009 0.000 0.883 104 N CB -0.906 37.580 38.487 -0.002 0.000 0.965 104 N HN 0.203 nan 8.380 nan 0.000 0.438 105 T N 0.399 114.939 114.554 -0.022 0.000 2.985 105 T HA 0.128 4.515 4.350 0.062 0.000 0.266 105 T C 1.039 175.734 174.700 -0.009 0.000 1.076 105 T CA 0.804 62.898 62.100 -0.011 0.000 1.135 105 T CB -0.182 68.656 68.868 -0.050 0.000 0.890 105 T HN 0.363 nan 8.240 nan 0.000 0.480 106 A N 1.733 124.535 122.820 -0.029 0.000 2.745 106 A HA -0.148 4.210 4.320 0.062 0.000 0.296 106 A C 0.902 178.455 177.584 -0.052 0.000 1.500 106 A CA 0.655 52.667 52.037 -0.042 0.000 0.766 106 A CB -2.256 16.722 19.000 -0.037 0.000 1.030 106 A HN 0.513 nan 8.150 nan 0.000 0.489 107 S N 0.282 115.958 115.700 -0.041 0.000 2.564 107 S HA 0.476 4.983 4.470 0.062 0.000 0.278 107 S C -0.089 174.480 174.600 -0.053 0.000 1.333 107 S CA -0.652 57.539 58.200 -0.015 0.000 1.048 107 S CB 0.668 63.871 63.200 0.005 0.000 0.900 107 S HN 0.439 nan 8.310 nan 0.000 0.505 108 P HA -0.051 nan 4.420 nan 0.000 0.223 108 P C 0.124 177.361 177.300 -0.106 0.000 1.151 108 P CA 1.089 64.106 63.100 -0.138 0.000 0.787 108 P CB -0.048 31.574 31.700 -0.130 0.000 0.788 109 Y N -0.536 119.756 120.300 -0.013 0.000 2.625 109 Y HA 0.430 5.018 4.550 0.063 0.000 0.285 109 Y C 2.269 178.116 175.900 -0.087 0.000 1.168 109 Y CA -0.222 57.863 58.100 -0.024 0.000 1.250 109 Y CB -0.532 37.918 38.460 -0.016 0.000 1.130 109 Y HN -0.055 nan 8.280 nan 0.000 0.526 110 A N -0.681 122.136 122.820 -0.005 0.000 1.940 110 A HA -0.204 4.153 4.320 0.062 0.000 0.219 110 A C 2.313 179.827 177.584 -0.116 0.000 1.176 110 A CA 2.210 54.209 52.037 -0.063 0.000 0.631 110 A CB -0.671 18.287 19.000 -0.070 0.000 0.814 110 A HN 0.333 nan 8.150 nan 0.000 0.446 111 S N -1.766 113.824 115.700 -0.184 0.000 2.547 111 S HA -0.081 4.426 4.470 0.062 0.000 0.235 111 S C 1.465 175.574 174.600 -0.818 0.000 0.980 111 S CA 0.677 58.651 58.200 -0.377 0.000 0.941 111 S CB -0.517 62.501 63.200 -0.305 0.000 0.763 111 S HN 0.632 nan 8.310 nan 0.000 0.532 112 Y N 2.219 122.110 120.300 -0.681 0.000 2.274 112 Y HA -0.071 4.515 4.550 0.060 0.000 0.290 112 Y C 1.679 177.334 175.900 -0.409 0.000 1.145 112 Y CA 0.993 58.737 58.100 -0.593 0.000 1.203 112 Y CB -0.340 37.992 38.460 -0.214 0.000 0.984 112 Y HN 0.232 nan 8.280 nan 0.000 0.533 113 L N -0.721 120.358 121.223 -0.241 0.000 2.217 113 L HA -0.206 4.171 4.340 0.062 0.000 0.211 113 L C 2.220 178.977 176.870 -0.188 0.000 1.107 113 L CA 1.066 55.791 54.840 -0.191 0.000 0.783 113 L CB -0.485 41.511 42.059 -0.106 0.000 0.919 113 L HN 0.235 nan 8.230 nan 0.000 0.442 114 Q N -0.982 118.677 119.800 -0.236 0.000 2.123 114 Q HA -0.160 4.218 4.340 0.062 0.000 0.199 114 Q C 2.124 177.926 176.000 -0.329 0.000 0.966 114 Q CA 1.222 56.905 55.803 -0.201 0.000 0.845 114 Q CB -0.126 28.563 28.738 -0.083 0.000 0.907 114 Q HN 0.422 nan 8.270 nan 0.000 0.439 115 Y N 0.058 120.163 120.300 -0.326 0.000 2.207 115 Y HA -0.084 4.502 4.550 0.061 0.000 0.287 115 Y C 2.383 178.040 175.900 -0.405 0.000 1.156 115 Y CA 1.163 59.064 58.100 -0.331 0.000 1.182 115 Y CB -1.053 37.277 38.460 -0.217 0.000 0.979 115 Y HN 0.150 nan 8.280 nan 0.000 0.521 116 G N -2.250 106.427 108.800 -0.205 0.000 2.880 116 G HA2 -0.053 3.944 3.960 0.062 0.000 0.209 116 G HA3 -0.053 3.944 3.960 0.062 0.000 0.209 116 G C -0.002 174.910 174.900 0.021 0.000 1.157 116 G CA 0.264 45.374 45.100 0.017 0.000 0.779 116 G HN 0.605 nan 8.290 nan 0.000 0.539 117 H N -1.126 117.962 119.070 0.031 0.000 2.839 117 H HA -0.131 4.463 4.556 0.062 0.000 0.298 117 H C 0.181 175.499 175.328 -0.016 0.000 1.224 117 H CA 0.542 56.596 56.048 0.010 0.000 1.144 117 H CB -1.992 27.772 29.762 0.003 0.000 1.372 117 H HN 0.287 nan 8.280 nan 0.000 0.408 118 I N 0.809 121.412 120.570 0.055 0.000 2.815 118 I HA 0.084 4.291 4.170 0.062 0.000 0.291 118 I C 1.448 177.610 176.117 0.075 0.000 1.209 118 I CA 0.910 62.254 61.300 0.073 0.000 1.431 118 I CB 0.482 38.578 38.000 0.159 0.000 1.351 118 I HN 0.418 nan 8.210 nan 0.000 0.585 119 A N 5.564 128.422 122.820 0.063 0.000 2.531 119 A HA 0.119 4.477 4.320 0.062 0.000 0.236 119 A C 1.106 178.726 177.584 0.059 0.000 1.062 119 A CA 0.045 52.116 52.037 0.056 0.000 0.760 119 A CB -0.286 18.738 19.000 0.039 0.000 0.995 119 A HN 0.904 nan 8.150 nan 0.000 0.501 120 N N -0.602 118.129 118.700 0.052 0.000 2.828 120 N HA -0.220 4.558 4.740 0.062 0.000 0.248 120 N C 0.529 176.065 175.510 0.043 0.000 1.044 120 N CA 1.222 54.300 53.050 0.045 0.000 0.851 120 N CB -1.400 37.113 38.487 0.043 0.000 1.136 120 N HN 0.791 nan 8.380 nan 0.000 0.572 121 I N 1.390 121.987 120.570 0.046 0.000 2.315 121 I HA -0.149 4.058 4.170 0.062 0.000 0.248 121 I C 1.638 177.767 176.117 0.021 0.000 1.117 121 I CA 1.708 63.026 61.300 0.030 0.000 1.404 121 I CB -0.055 37.954 38.000 0.016 0.000 1.071 121 I HN 0.040 nan 8.210 nan 0.000 0.419 122 D N 0.716 121.135 120.400 0.031 0.000 2.097 122 D HA -0.189 4.489 4.640 0.062 0.000 0.195 122 D C 1.809 178.123 176.300 0.022 0.000 0.989 122 D CA 1.528 55.545 54.000 0.029 0.000 0.827 122 D CB -0.421 40.405 40.800 0.042 0.000 0.966 122 D HN 0.367 nan 8.370 nan 0.000 0.456 123 D N 0.048 120.463 120.400 0.024 0.000 2.178 123 D HA -0.057 4.621 4.640 0.062 0.000 0.201 123 D C 2.263 178.573 176.300 0.016 0.000 0.980 123 D CA 0.290 54.302 54.000 0.020 0.000 0.842 123 D CB -0.169 40.644 40.800 0.022 0.000 0.948 123 D HN 0.272 nan 8.370 nan 0.000 0.472 124 I N 0.472 121.052 120.570 0.016 0.000 2.202 124 I HA -0.205 4.003 4.170 0.062 0.000 0.242 124 I C 2.319 178.436 176.117 0.001 0.000 1.091 124 I CA 0.696 62.003 61.300 0.011 0.000 1.368 124 I CB -0.089 37.919 38.000 0.014 0.000 1.058 124 I HN -0.056 nan 8.210 nan 0.000 0.410 125 I N 0.821 121.390 120.570 -0.002 0.000 2.286 125 I HA -0.274 3.934 4.170 0.062 0.000 0.248 125 I C 2.542 178.656 176.117 -0.004 0.000 1.115 125 I CA 1.298 62.592 61.300 -0.010 0.000 1.392 125 I CB -0.395 37.597 38.000 -0.015 0.000 1.065 125 I HN 0.188 nan 8.210 nan 0.000 0.418 126 A N 0.173 122.995 122.820 0.003 0.000 2.206 126 A HA 0.213 4.570 4.320 0.062 0.000 0.211 126 A C 1.915 179.502 177.584 0.005 0.000 1.158 126 A CA 0.909 52.949 52.037 0.006 0.000 0.761 126 A CB -0.614 18.392 19.000 0.010 0.000 0.801 126 A HN 0.583 nan 8.150 nan 0.000 0.473 127 G N -0.676 108.127 108.800 0.004 0.000 2.143 127 G HA2 -0.288 3.710 3.960 0.062 0.000 0.249 127 G HA3 -0.288 3.710 3.960 0.062 0.000 0.249 127 G C 0.851 175.755 174.900 0.008 0.000 0.981 127 G CA 0.768 45.871 45.100 0.005 0.000 0.665 127 G HN 0.550 nan 8.290 nan 0.000 0.528 128 K N -0.484 119.922 120.400 0.010 0.000 2.243 128 K HA 0.120 4.477 4.320 0.062 0.000 0.201 128 K C 1.035 177.643 176.600 0.013 0.000 1.051 128 K CA 0.775 57.069 56.287 0.011 0.000 0.970 128 K CB 0.208 32.715 32.500 0.013 0.000 0.755 128 K HN 0.337 nan 8.250 nan 0.000 0.465 129 K N 0.942 121.350 120.400 0.015 0.000 2.426 129 K HA 0.304 4.662 4.320 0.062 0.000 0.251 129 K C -2.763 173.848 176.600 0.017 0.000 0.941 129 K CA -2.244 54.053 56.287 0.017 0.000 0.808 129 K CB 2.168 34.681 32.500 0.021 0.000 1.265 129 K HN -0.172 nan 8.250 nan 0.000 0.432 130 P HA 0.016 nan 4.420 nan 0.000 0.272 130 P C -0.053 177.261 177.300 0.024 0.000 1.230 130 P CA -0.060 63.052 63.100 0.020 0.000 0.788 130 P CB 0.931 32.644 31.700 0.022 0.000 0.949 131 A N 1.934 124.765 122.820 0.020 0.000 2.070 131 A HA -0.127 4.231 4.320 0.062 0.000 0.220 131 A C 1.845 179.456 177.584 0.044 0.000 1.159 131 A CA 2.072 54.123 52.037 0.022 0.000 0.656 131 A CB -1.861 17.139 19.000 -0.001 0.000 0.800 131 A HN 0.681 nan 8.150 nan 0.000 0.453 132 T N -2.726 111.857 114.554 0.048 0.000 3.098 132 T HA -0.059 4.328 4.350 0.062 0.000 0.266 132 T C 0.717 175.453 174.700 0.060 0.000 1.145 132 T CA 1.281 63.418 62.100 0.063 0.000 1.092 132 T CB -0.277 68.627 68.868 0.059 0.000 0.908 132 T HN 0.316 nan 8.240 nan 0.000 0.526 133 D N 0.363 120.794 120.400 0.051 0.000 2.340 133 D HA 0.226 4.904 4.640 0.062 0.000 0.220 133 D C 0.450 176.785 176.300 0.058 0.000 1.039 133 D CA -0.262 53.767 54.000 0.048 0.000 0.866 133 D CB -0.283 40.539 40.800 0.037 0.000 0.913 133 D HN 0.320 nan 8.370 nan 0.000 0.523 134 L N 0.754 122.022 121.223 0.074 0.000 2.514 134 L HA 0.183 4.560 4.340 0.062 0.000 0.280 134 L C 1.322 178.250 176.870 0.096 0.000 1.223 134 L CA 0.269 55.167 54.840 0.097 0.000 0.864 134 L CB 0.689 42.832 42.059 0.140 0.000 1.118 134 L HN 0.042 nan 8.230 nan 0.000 0.494 135 G N 5.426 114.280 108.800 0.090 0.000 3.263 135 G HA2 0.388 4.386 3.960 0.062 0.000 0.246 135 G HA3 0.388 4.386 3.960 0.062 0.000 0.246 135 G C -0.402 174.521 174.900 0.039 0.000 0.982 135 G CA 0.399 45.534 45.100 0.059 0.000 1.897 135 G HN 0.725 nan 8.290 nan 0.000 0.624 136 V N -2.027 117.909 119.914 0.035 0.000 2.789 136 V HA 0.955 5.112 4.120 0.062 0.000 0.311 136 V C -0.635 175.429 176.094 -0.050 0.000 1.073 136 V CA -1.435 60.814 62.300 -0.085 0.000 0.921 136 V CB 2.006 33.854 31.823 0.042 0.000 1.009 136 V HN 0.509 nan 8.190 nan 0.000 0.426 137 K N 2.682 122.990 120.400 -0.154 0.000 2.551 137 K HA 0.892 5.249 4.320 0.062 0.000 0.269 137 K C -1.014 175.588 176.600 0.004 0.000 0.949 137 K CA -0.541 55.740 56.287 -0.010 0.000 0.849 137 K CB 2.436 34.934 32.500 -0.005 0.000 1.411 137 K HN 1.297 nan 8.250 nan 0.000 0.432 138 A N 2.983 125.854 122.820 0.086 0.000 2.252 138 A HA 0.378 4.736 4.320 0.062 0.000 0.309 138 A C 0.613 178.207 177.584 0.017 0.000 1.285 138 A CA -0.918 51.132 52.037 0.022 0.000 0.900 138 A CB -0.159 18.715 19.000 -0.209 0.000 1.157 138 A HN 0.784 nan 8.150 nan 0.000 0.536 139 L N 1.063 122.288 121.223 0.004 0.000 2.313 139 L HA 0.125 4.502 4.340 0.062 0.000 0.214 139 L C 0.446 177.337 176.870 0.036 0.000 1.119 139 L CA 0.826 55.678 54.840 0.020 0.000 0.809 139 L CB -0.402 41.662 42.059 0.009 0.000 0.933 139 L HN 0.939 nan 8.230 nan 0.000 0.449 140 D N -4.634 115.772 120.400 0.010 0.000 2.792 140 D HA 0.035 4.712 4.640 0.062 0.000 0.335 140 D C -0.048 176.191 176.300 -0.102 0.000 1.353 140 D CA -0.601 53.409 54.000 0.017 0.000 0.839 140 D CB 0.192 41.021 40.800 0.049 0.000 1.396 140 D HN -0.343 nan 8.370 nan 0.000 0.479 141 D N -1.394 118.932 120.400 -0.124 0.000 2.218 141 D HA -0.093 4.584 4.640 0.062 0.000 0.204 141 D C 0.591 176.608 176.300 -0.472 0.000 0.976 141 D CA 1.247 55.052 54.000 -0.325 0.000 0.853 141 D CB -0.079 40.488 40.800 -0.388 0.000 0.939 141 D HN 0.395 nan 8.370 nan 0.000 0.481 142 H N -1.033 118.061 119.070 0.040 0.000 2.486 142 H HA 0.305 4.899 4.556 0.062 0.000 0.284 142 H C -0.189 175.175 175.328 0.060 0.000 1.103 142 H CA 0.152 56.230 56.048 0.050 0.000 1.089 142 H CB 0.396 30.194 29.762 0.061 0.000 1.603 142 H HN -0.119 nan 8.280 nan 0.000 0.557 143 T N 1.287 115.894 114.554 0.088 0.000 3.031 143 T HA 0.198 4.586 4.350 0.062 0.000 0.305 143 T C -1.172 173.579 174.700 0.085 0.000 0.985 143 T CA -0.529 61.615 62.100 0.072 0.000 1.008 143 T CB 1.247 70.153 68.868 0.063 0.000 1.005 143 T HN 0.048 nan 8.240 nan 0.000 0.444 144 F N 2.910 122.816 119.950 -0.073 0.000 2.444 144 F HA 0.592 5.156 4.527 0.061 0.000 0.342 144 F C 0.033 175.856 175.800 0.039 0.000 1.121 144 F CA -1.109 56.845 58.000 -0.078 0.000 0.997 144 F CB 1.098 39.965 39.000 -0.222 0.000 1.130 144 F HN 0.512 nan 8.300 nan 0.000 0.454 145 E N 5.587 125.512 120.200 -0.458 0.000 2.176 145 E HA 0.561 4.948 4.350 0.062 0.000 0.267 145 E C -1.806 174.510 176.600 -0.473 0.000 0.893 145 E CA -0.716 55.486 56.400 -0.330 0.000 0.761 145 E CB 1.792 31.386 29.700 -0.177 0.000 1.133 145 E HN 0.506 nan 8.360 nan 0.000 0.409 146 V N 3.510 123.298 119.914 -0.210 0.000 2.459 146 V HA 0.388 4.546 4.120 0.062 0.000 0.295 146 V C -0.207 175.889 176.094 0.003 0.000 1.029 146 V CA -0.624 61.612 62.300 -0.107 0.000 0.874 146 V CB 1.940 33.857 31.823 0.156 0.000 0.985 146 V HN 0.709 nan 8.190 nan 0.000 0.438 147 T N 6.350 120.893 114.554 -0.018 0.000 2.786 147 T HA 0.639 5.026 4.350 0.062 0.000 0.283 147 T C -0.305 174.392 174.700 -0.005 0.000 0.992 147 T CA -0.288 61.809 62.100 -0.004 0.000 0.954 147 T CB 0.806 69.667 68.868 -0.012 0.000 0.934 147 T HN 0.349 nan 8.240 nan 0.000 0.440 148 L N 1.892 123.109 121.223 -0.010 0.000 2.387 148 L HA 0.461 4.839 4.340 0.062 0.000 0.266 148 L C 1.649 178.532 176.870 0.021 0.000 1.059 148 L CA -0.833 53.999 54.840 -0.013 0.000 0.801 148 L CB 1.280 43.306 42.059 -0.055 0.000 1.223 148 L HN 0.723 nan 8.230 nan 0.000 0.456 149 S N -1.183 114.542 115.700 0.042 0.000 2.528 149 S HA 0.054 4.561 4.470 0.062 0.000 0.219 149 S C 0.207 174.805 174.600 -0.003 0.000 0.985 149 S CA -0.123 58.093 58.200 0.027 0.000 0.914 149 S CB -0.271 62.957 63.200 0.048 0.000 0.776 149 S HN 0.774 nan 8.310 nan 0.000 0.526 150 E N -0.381 119.809 120.200 -0.018 0.000 2.423 150 E HA 0.447 4.834 4.350 0.062 0.000 0.280 150 E C -3.560 173.043 176.600 0.006 0.000 1.030 150 E CA -2.691 53.688 56.400 -0.035 0.000 0.812 150 E CB 0.390 30.024 29.700 -0.109 0.000 1.313 150 E HN -0.081 nan 8.360 nan 0.000 0.456 151 P HA 0.077 nan 4.420 nan 0.000 0.267 151 P C -0.695 176.650 177.300 0.076 0.000 1.205 151 P CA -0.190 63.003 63.100 0.155 0.000 0.765 151 P CB 0.567 32.387 31.700 0.200 0.000 0.828 152 V N 6.906 126.904 119.914 0.139 0.000 2.380 152 V HA 0.172 4.329 4.120 0.062 0.000 0.272 152 V C -1.704 174.361 176.094 -0.048 0.000 1.011 152 V CA -1.282 60.942 62.300 -0.126 0.000 0.826 152 V CB 1.616 33.338 31.823 -0.168 0.000 1.040 152 V HN 0.405 nan 8.190 nan 0.000 0.441 153 P HA -0.113 nan 4.420 nan 0.000 0.220 153 P C 0.948 178.344 177.300 0.159 0.000 1.148 153 P CA 1.189 64.095 63.100 -0.324 0.000 0.803 153 P CB -0.008 31.288 31.700 -0.674 0.000 0.782 154 Y N -4.477 115.882 120.300 0.097 0.000 2.470 154 Y HA 0.330 4.916 4.550 0.061 0.000 0.284 154 Y C 1.703 177.453 175.900 -0.249 0.000 1.188 154 Y CA -1.045 57.024 58.100 -0.052 0.000 1.269 154 Y CB -1.471 36.966 38.460 -0.038 0.000 1.094 154 Y HN -0.198 nan 8.280 nan 0.000 0.518 155 F N 2.483 122.139 119.950 -0.490 0.000 2.087 155 F HA -0.309 4.257 4.527 0.065 0.000 0.299 155 F C 2.399 177.828 175.800 -0.617 0.000 1.100 155 F CA 1.879 59.481 58.000 -0.664 0.000 1.226 155 F CB -0.886 37.519 39.000 -0.993 0.000 0.983 155 F HN 0.317 nan 8.300 nan 0.000 0.479 156 Y N 0.060 119.954 120.300 -0.676 0.000 2.315 156 Y HA -0.122 4.462 4.550 0.057 0.000 0.288 156 Y C 2.034 177.734 175.900 -0.333 0.000 1.154 156 Y CA 1.445 59.229 58.100 -0.526 0.000 1.229 156 Y CB -1.504 36.834 38.460 -0.204 0.000 0.980 156 Y HN 0.049 nan 8.280 nan 0.000 0.540 157 K N 0.219 120.034 120.400 -0.975 0.000 2.147 157 K HA -0.110 4.248 4.320 0.062 0.000 0.205 157 K C 1.676 178.094 176.600 -0.303 0.000 1.049 157 K CA 1.479 57.466 56.287 -0.500 0.000 0.936 157 K CB -0.283 31.998 32.500 -0.365 0.000 0.722 157 K HN 0.277 nan 8.250 nan 0.000 0.446 158 L N 0.755 121.647 121.223 -0.552 0.000 2.275 158 L HA -0.101 4.276 4.340 0.062 0.000 0.215 158 L C 1.733 178.529 176.870 -0.124 0.000 1.119 158 L CA 1.296 55.870 54.840 -0.444 0.000 0.790 158 L CB -0.321 41.232 42.059 -0.843 0.000 0.919 158 L HN 0.146 nan 8.230 nan 0.000 0.443 159 L N -0.750 120.319 121.223 -0.256 0.000 2.622 159 L HA -0.065 4.312 4.340 0.062 0.000 0.233 159 L C 2.029 178.909 176.870 0.018 0.000 1.156 159 L CA 0.287 55.043 54.840 -0.139 0.000 0.866 159 L CB -0.640 41.243 42.059 -0.292 0.000 0.980 159 L HN 0.274 nan 8.230 nan 0.000 0.448 160 V N -4.663 115.294 119.914 0.072 0.000 3.461 160 V HA -0.004 4.153 4.120 0.062 0.000 0.267 160 V C 1.307 177.465 176.094 0.108 0.000 1.186 160 V CA 0.080 62.459 62.300 0.132 0.000 1.154 160 V CB -0.940 30.988 31.823 0.174 0.000 0.802 160 V HN 0.337 nan 8.190 nan 0.000 0.474 161 H N 1.553 120.602 119.070 -0.035 0.000 2.629 161 H HA 0.229 4.821 4.556 0.061 0.000 0.357 161 H C -1.814 173.367 175.328 -0.246 0.000 1.121 161 H CA -1.281 54.639 56.048 -0.214 0.000 1.406 161 H CB 2.109 31.588 29.762 -0.471 0.000 1.456 161 H HN 0.102 nan 8.280 nan 0.000 0.579 162 P HA -0.168 nan 4.420 nan 0.000 0.218 162 P C 1.557 178.665 177.300 -0.320 0.000 1.149 162 P CA 1.786 64.612 63.100 -0.456 0.000 0.817 162 P CB 0.134 31.530 31.700 -0.506 0.000 0.785 163 S N -0.770 114.706 115.700 -0.373 0.000 2.419 163 S HA -0.106 4.402 4.470 0.062 0.000 0.233 163 S C 1.555 176.119 174.600 -0.060 0.000 1.016 163 S CA 1.446 59.556 58.200 -0.149 0.000 0.974 163 S CB -1.582 61.484 63.200 -0.222 0.000 0.786 163 S HN 0.146 nan 8.310 nan 0.000 0.492 164 V N -1.023 118.840 119.914 -0.085 0.000 3.342 164 V HA 0.425 4.582 4.120 0.062 0.000 0.322 164 V C 0.409 176.722 176.094 0.365 0.000 1.370 164 V CA -0.630 61.658 62.300 -0.020 0.000 1.170 164 V CB -0.749 30.925 31.823 -0.248 0.000 1.101 164 V HN 0.276 nan 8.190 nan 0.000 0.442 165 S N 3.217 119.019 115.700 0.171 0.000 2.603 165 S HA 0.461 4.968 4.470 0.062 0.000 0.268 165 S C -2.211 172.411 174.600 0.037 0.000 1.317 165 S CA -0.507 57.790 58.200 0.162 0.000 1.012 165 S CB 1.051 64.307 63.200 0.094 0.000 0.926 165 S HN 0.505 nan 8.310 nan 0.000 0.539 166 P HA 0.341 nan 4.420 nan 0.000 0.281 166 P C -0.984 176.382 177.300 0.111 0.000 1.249 166 P CA -0.434 62.537 63.100 -0.215 0.000 0.810 166 P CB 0.833 32.161 31.700 -0.620 0.000 1.008 167 V N -1.473 118.490 119.914 0.080 0.000 2.914 167 V HA 0.666 4.824 4.120 0.062 0.000 0.314 167 V C -2.709 173.271 176.094 -0.190 0.000 1.084 167 V CA -3.020 59.220 62.300 -0.099 0.000 0.963 167 V CB 1.819 33.381 31.823 -0.435 0.000 1.025 167 V HN 0.359 nan 8.190 nan 0.000 0.432 168 P HA 0.277 nan 4.420 nan 0.000 0.284 168 P C 0.264 177.206 177.300 -0.598 0.000 1.343 168 P CA -0.283 62.333 63.100 -0.806 0.000 0.826 168 P CB 1.472 32.614 31.700 -0.930 0.000 0.956 169 K N 3.507 123.560 120.400 -0.579 0.000 2.044 169 K HA -0.213 4.145 4.320 0.062 0.000 0.210 169 K C 1.901 178.212 176.600 -0.482 0.000 1.049 169 K CA 2.502 58.333 56.287 -0.759 0.000 0.927 169 K CB -0.314 31.480 32.500 -1.177 0.000 0.713 169 K HN 0.418 nan 8.250 nan 0.000 0.443 170 S N 0.055 115.522 115.700 -0.388 0.000 2.382 170 S HA -0.126 4.381 4.470 0.062 0.000 0.228 170 S C 2.166 176.667 174.600 -0.165 0.000 1.027 170 S CA 1.017 59.066 58.200 -0.253 0.000 0.991 170 S CB -0.405 62.675 63.200 -0.200 0.000 0.823 170 S HN 0.436 nan 8.310 nan 0.000 0.469 171 A N 1.404 124.154 122.820 -0.116 0.000 1.897 171 A HA 0.159 4.517 4.320 0.062 0.000 0.215 171 A C 2.427 180.083 177.584 0.120 0.000 1.181 171 A CA 1.352 53.495 52.037 0.177 0.000 0.620 171 A CB -1.070 18.075 19.000 0.241 0.000 0.821 171 A HN 0.437 nan 8.150 nan 0.000 0.443 172 V N 0.297 120.040 119.914 -0.285 0.000 2.287 172 V HA -0.292 3.865 4.120 0.062 0.000 0.248 172 V C 2.466 178.509 176.094 -0.085 0.000 1.053 172 V CA 2.404 64.489 62.300 -0.359 0.000 1.027 172 V CB -0.815 30.691 31.823 -0.529 0.000 0.646 172 V HN 0.629 nan 8.190 nan 0.000 0.447 173 E N -0.193 119.930 120.200 -0.128 0.000 2.047 173 E HA -0.261 4.127 4.350 0.062 0.000 0.191 173 E C 2.308 178.831 176.600 -0.129 0.000 0.987 173 E CA 1.402 57.742 56.400 -0.101 0.000 0.799 173 E CB -0.151 29.468 29.700 -0.135 0.000 0.752 173 E HN 0.525 nan 8.360 nan 0.000 0.449 174 K N 0.091 120.352 120.400 -0.231 0.000 2.097 174 K HA -0.102 4.256 4.320 0.062 0.000 0.205 174 K C 1.174 177.444 176.600 -0.551 0.000 1.050 174 K CA 1.162 57.163 56.287 -0.476 0.000 0.938 174 K CB 0.095 32.156 32.500 -0.732 0.000 0.718 174 K HN 0.035 nan 8.250 nan 0.000 0.442 175 F N -0.074 119.918 119.950 0.070 0.000 2.682 175 F HA 0.316 4.880 4.527 0.062 0.000 0.308 175 F C 1.353 177.240 175.800 0.145 0.000 1.093 175 F CA 0.131 58.199 58.000 0.112 0.000 1.244 175 F CB 0.471 39.565 39.000 0.156 0.000 1.052 175 F HN 0.246 nan 8.300 nan 0.000 0.573 176 G N 2.022 110.987 108.800 0.275 0.000 2.596 176 G HA2 -0.476 3.522 3.960 0.062 0.000 0.295 176 G HA3 -0.476 3.522 3.960 0.062 0.000 0.295 176 G C 0.780 175.899 174.900 0.365 0.000 1.240 176 G CA 0.842 46.089 45.100 0.245 0.000 0.985 176 G HN 0.410 nan 8.290 nan 0.000 0.555 177 D N 0.374 120.926 120.400 0.252 0.000 2.351 177 D HA -0.000 4.677 4.640 0.062 0.000 0.216 177 D C 1.709 178.099 176.300 0.150 0.000 0.968 177 D CA 1.664 55.791 54.000 0.211 0.000 0.899 177 D CB -0.114 40.759 40.800 0.122 0.000 0.907 177 D HN 0.607 nan 8.370 nan 0.000 0.514 178 K N 0.171 120.681 120.400 0.183 0.000 2.410 178 K HA 0.089 4.446 4.320 0.062 0.000 0.200 178 K C 1.198 177.875 176.600 0.128 0.000 1.023 178 K CA -0.285 56.064 56.287 0.102 0.000 1.149 178 K CB -0.090 32.472 32.500 0.103 0.000 0.859 178 K HN 0.399 nan 8.250 nan 0.000 0.514 179 W N 1.093 122.471 121.300 0.131 0.000 2.392 179 W HA -0.138 4.559 4.660 0.061 0.000 0.279 179 W C 0.946 177.502 176.519 0.063 0.000 1.225 179 W CA 1.510 58.922 57.345 0.112 0.000 1.233 179 W CB -0.898 28.667 29.460 0.175 0.000 1.122 179 W HN -0.038 nan 8.180 nan 0.000 0.561 180 T N -0.846 113.387 114.554 -0.535 0.000 3.148 180 T HA 0.001 4.388 4.350 0.062 0.000 0.253 180 T C 0.900 175.556 174.700 -0.074 0.000 1.134 180 T CA 0.113 61.909 62.100 -0.507 0.000 1.051 180 T CB -0.182 68.320 68.868 -0.610 0.000 0.959 180 T HN -0.058 nan 8.240 nan 0.000 0.525 181 Q N 1.807 121.580 119.800 -0.045 0.000 2.392 181 Q HA 0.184 4.562 4.340 0.062 0.000 0.262 181 Q C -1.625 174.369 176.000 -0.011 0.000 1.003 181 Q CA -1.980 53.822 55.803 -0.001 0.000 0.888 181 Q CB 1.039 29.731 28.738 -0.077 0.000 1.260 181 Q HN 0.136 nan 8.270 nan 0.000 0.435 182 P HA -0.197 nan 4.420 nan 0.000 0.216 182 P C 0.642 177.929 177.300 -0.022 0.000 1.150 182 P CA 2.134 65.247 63.100 0.021 0.000 0.843 182 P CB 0.195 31.921 31.700 0.043 0.000 0.787 183 A N -1.154 121.629 122.820 -0.062 0.000 2.066 183 A HA -0.117 4.241 4.320 0.062 0.000 0.218 183 A C 1.851 179.328 177.584 -0.179 0.000 1.157 183 A CA 1.441 53.423 52.037 -0.092 0.000 0.670 183 A CB -0.740 18.205 19.000 -0.092 0.000 0.804 183 A HN 0.163 nan 8.150 nan 0.000 0.453 184 N N -1.147 117.392 118.700 -0.268 0.000 2.397 184 N HA 0.182 4.959 4.740 0.062 0.000 0.190 184 N C 0.446 175.889 175.510 -0.111 0.000 1.099 184 N CA -0.179 52.590 53.050 -0.468 0.000 0.876 184 N CB 0.200 38.121 38.487 -0.943 0.000 1.143 184 N HN 0.497 nan 8.380 nan 0.000 0.468 185 I N 1.885 122.460 120.570 0.008 0.000 2.754 185 I HA -0.006 4.201 4.170 0.062 0.000 0.285 185 I C -0.670 175.562 176.117 0.192 0.000 1.166 185 I CA 0.055 61.463 61.300 0.181 0.000 1.417 185 I CB 0.698 38.748 38.000 0.084 0.000 1.382 185 I HN -0.300 nan 8.210 nan 0.000 0.588 186 V N 5.969 126.070 119.914 0.313 0.000 2.531 186 V HA 0.454 4.612 4.120 0.062 0.000 0.301 186 V C -0.121 176.238 176.094 0.442 0.000 1.034 186 V CA -0.446 62.005 62.300 0.252 0.000 0.865 186 V CB 1.849 33.707 31.823 0.059 0.000 0.995 186 V HN 0.881 nan 8.190 nan 0.000 0.424 187 T N 0.160 114.940 114.554 0.377 0.000 2.916 187 T HA 0.476 4.863 4.350 0.062 0.000 0.292 187 T C 0.143 175.011 174.700 0.280 0.000 1.055 187 T CA -0.681 61.554 62.100 0.225 0.000 1.009 187 T CB 2.107 70.799 68.868 -0.293 0.000 1.118 187 T HN 0.627 nan 8.240 nan 0.000 0.497 188 N N -0.336 118.374 118.700 0.017 0.000 2.170 188 N HA 0.215 4.992 4.740 0.062 0.000 0.222 188 N C 0.615 176.101 175.510 -0.041 0.000 1.218 188 N CA -0.349 52.626 53.050 -0.125 0.000 0.889 188 N CB 0.398 38.485 38.487 -0.666 0.000 1.083 188 N HN 0.817 nan 8.380 nan 0.000 0.520 189 G N 0.073 108.775 108.800 -0.164 0.000 2.510 189 G HA2 0.497 4.494 3.960 0.062 0.000 0.280 189 G HA3 0.497 4.494 3.960 0.062 0.000 0.280 189 G C 0.824 175.308 174.900 -0.694 0.000 1.386 189 G CA 0.012 44.917 45.100 -0.325 0.000 1.047 189 G HN 0.215 nan 8.290 nan 0.000 0.527 190 A N -1.761 120.446 122.820 -1.022 0.000 2.121 190 A HA 0.292 4.649 4.320 0.062 0.000 0.218 190 A C 0.354 177.392 177.584 -0.909 0.000 1.154 190 A CA 0.877 52.235 52.037 -1.131 0.000 0.679 190 A CB -0.336 18.122 19.000 -0.903 0.000 0.795 190 A HN 0.455 nan 8.150 nan 0.000 0.458 191 Y N -1.282 118.872 120.300 -0.245 0.000 2.633 191 Y HA 0.586 5.171 4.550 0.058 0.000 0.339 191 Y C 0.183 176.001 175.900 -0.137 0.000 1.045 191 Y CA -0.979 57.037 58.100 -0.140 0.000 1.098 191 Y CB 1.578 39.974 38.460 -0.105 0.000 1.296 191 Y HN -0.081 nan 8.280 nan 0.000 0.494 192 K N 1.005 121.445 120.400 0.066 0.000 2.395 192 K HA 0.518 4.876 4.320 0.062 0.000 0.247 192 K C -1.804 174.808 176.600 0.019 0.000 0.973 192 K CA -1.217 55.076 56.287 0.010 0.000 0.828 192 K CB 2.624 35.138 32.500 0.024 0.000 1.272 192 K HN 0.400 nan 8.250 nan 0.000 0.439 193 L N 2.448 123.662 121.223 -0.015 0.000 2.313 193 L HA 0.172 4.549 4.340 0.062 0.000 0.282 193 L C 0.973 177.857 176.870 0.023 0.000 1.092 193 L CA 0.656 55.488 54.840 -0.013 0.000 0.831 193 L CB 0.659 42.695 42.059 -0.037 0.000 1.159 193 L HN 0.701 nan 8.230 nan 0.000 0.442 194 K N 3.388 123.809 120.400 0.034 0.000 2.172 194 K HA 0.215 4.572 4.320 0.062 0.000 0.203 194 K C -0.169 176.463 176.600 0.053 0.000 1.040 194 K CA 0.294 56.606 56.287 0.041 0.000 0.974 194 K CB 0.425 32.949 32.500 0.041 0.000 0.857 194 K HN 0.725 nan 8.250 nan 0.000 0.464 195 N N -0.564 118.178 118.700 0.069 0.000 2.235 195 N HA 0.111 4.888 4.740 0.062 0.000 0.293 195 N C -2.068 173.556 175.510 0.190 0.000 1.083 195 N CA -0.473 52.638 53.050 0.101 0.000 0.801 195 N CB 1.641 40.173 38.487 0.075 0.000 1.559 195 N HN 0.110 nan 8.380 nan 0.000 0.472 196 W N 2.971 124.254 121.300 -0.029 0.000 2.664 196 W HA 0.440 5.139 4.660 0.065 0.000 0.314 196 W C -1.948 174.553 176.519 -0.029 0.000 1.010 196 W CA -0.691 56.635 57.345 -0.033 0.000 1.306 196 W CB 0.381 29.810 29.460 -0.051 0.000 1.254 196 W HN 0.095 nan 8.180 nan 0.000 0.404 197 V N 7.060 127.126 119.914 0.253 0.000 2.313 197 V HA 0.213 4.370 4.120 0.062 0.000 0.278 197 V C 0.323 176.466 176.094 0.082 0.000 1.017 197 V CA -0.983 61.355 62.300 0.064 0.000 0.823 197 V CB 0.955 32.810 31.823 0.054 0.000 1.010 197 V HN 0.206 nan 8.190 nan 0.000 0.443 198 V N 5.666 125.532 119.914 -0.080 0.000 2.557 198 V HA 0.023 4.181 4.120 0.062 0.000 0.301 198 V C 1.248 177.365 176.094 0.038 0.000 1.026 198 V CA 0.815 63.107 62.300 -0.012 0.000 1.137 198 V CB -0.507 31.223 31.823 -0.155 0.000 0.917 198 V HN 1.147 nan 8.190 nan 0.000 0.484 199 N N 2.388 121.140 118.700 0.086 0.000 2.782 199 N HA -0.197 4.580 4.740 0.062 0.000 0.251 199 N C 0.842 176.379 175.510 0.045 0.000 1.101 199 N CA 1.153 54.237 53.050 0.056 0.000 0.764 199 N CB -0.405 38.101 38.487 0.031 0.000 1.122 199 N HN 0.890 nan 8.380 nan 0.000 0.561 200 E N -0.563 119.676 120.200 0.065 0.000 3.203 200 E HA 0.202 4.590 4.350 0.062 0.000 0.200 200 E C 0.211 176.847 176.600 0.059 0.000 1.089 200 E CA 0.176 56.605 56.400 0.049 0.000 1.430 200 E CB 0.828 30.551 29.700 0.039 0.000 1.328 200 E HN 0.373 nan 8.360 nan 0.000 0.580 201 R N 0.137 120.695 120.500 0.097 0.000 2.709 201 R HA 0.450 4.827 4.340 0.062 0.000 0.270 201 R C -1.795 174.585 176.300 0.134 0.000 1.038 201 R CA -0.618 55.536 56.100 0.090 0.000 0.872 201 R CB 0.510 30.841 30.300 0.052 0.000 1.259 201 R HN -0.060 nan 8.270 nan 0.000 0.473 202 I N 2.162 122.780 120.570 0.081 0.000 2.389 202 I HA 0.383 4.591 4.170 0.062 0.000 0.288 202 I C -0.748 175.396 176.117 0.046 0.000 0.999 202 I CA -1.202 60.114 61.300 0.028 0.000 1.129 202 I CB 2.256 40.170 38.000 -0.143 0.000 1.288 202 I HN 0.322 nan 8.210 nan 0.000 0.444 203 V N 7.444 127.381 119.914 0.038 0.000 2.409 203 V HA 0.466 4.623 4.120 0.062 0.000 0.291 203 V C -0.044 176.061 176.094 0.019 0.000 1.020 203 V CA -0.559 61.755 62.300 0.023 0.000 0.848 203 V CB 1.667 33.505 31.823 0.025 0.000 0.990 203 V HN 0.472 nan 8.190 nan 0.000 0.430 204 L N 5.099 126.326 121.223 0.007 0.000 2.325 204 L HA 0.728 5.105 4.340 0.062 0.000 0.278 204 L C 0.064 176.996 176.870 0.104 0.000 1.023 204 L CA -0.522 54.337 54.840 0.032 0.000 0.811 204 L CB 1.884 43.926 42.059 -0.029 0.000 1.249 204 L HN 0.796 nan 8.230 nan 0.000 0.431 205 E N 2.133 122.443 120.200 0.184 0.000 2.312 205 E HA 0.428 4.815 4.350 0.062 0.000 0.267 205 E C -0.846 175.900 176.600 0.243 0.000 0.894 205 E CA -1.125 55.397 56.400 0.204 0.000 0.773 205 E CB 2.122 31.881 29.700 0.098 0.000 1.241 205 E HN 0.425 nan 8.360 nan 0.000 0.432 206 R N 1.524 122.106 120.500 0.136 0.000 2.638 206 R HA -0.060 4.317 4.340 0.062 0.000 0.268 206 R C -0.606 175.614 176.300 -0.133 0.000 1.006 206 R CA 0.072 56.069 56.100 -0.173 0.000 1.088 206 R CB 0.269 30.505 30.300 -0.107 0.000 0.950 206 R HN 0.586 nan 8.270 nan 0.000 0.419 207 N N 5.552 124.119 118.700 -0.222 0.000 2.500 207 N HA 0.185 4.963 4.740 0.062 0.000 0.236 207 N C -2.056 173.431 175.510 -0.039 0.000 1.022 207 N CA -2.365 50.631 53.050 -0.090 0.000 0.935 207 N CB 1.481 39.908 38.487 -0.101 0.000 1.147 207 N HN 0.364 nan 8.380 nan 0.000 0.512 208 P HA -0.069 nan 4.420 nan 0.000 0.226 208 P C 0.602 177.924 177.300 0.038 0.000 1.153 208 P CA 0.935 64.040 63.100 0.009 0.000 0.777 208 P CB 0.456 32.164 31.700 0.014 0.000 0.794 209 Q N -1.862 117.978 119.800 0.066 0.000 2.432 209 Q HA -0.019 4.358 4.340 0.062 0.000 0.205 209 Q C 0.432 176.507 176.000 0.124 0.000 0.945 209 Q CA -0.038 55.822 55.803 0.095 0.000 0.924 209 Q CB -0.689 28.123 28.738 0.122 0.000 1.016 209 Q HN 0.335 nan 8.270 nan 0.000 0.503 210 Y N 2.441 122.713 120.300 -0.046 0.000 2.717 210 Y HA -0.183 4.402 4.550 0.057 0.000 0.330 210 Y C 1.351 177.208 175.900 -0.070 0.000 1.217 210 Y CA -0.540 57.504 58.100 -0.094 0.000 1.506 210 Y CB 0.288 38.610 38.460 -0.231 0.000 1.268 210 Y HN 0.243 nan 8.280 nan 0.000 0.561 211 W N 4.129 125.136 121.300 -0.488 0.000 2.325 211 W HA -0.212 4.483 4.660 0.058 0.000 0.299 211 W C 0.314 176.520 176.519 -0.523 0.000 1.215 211 W CA 1.429 58.514 57.345 -0.433 0.000 1.244 211 W CB -0.425 28.828 29.460 -0.345 0.000 1.140 211 W HN 0.533 nan 8.180 nan 0.000 0.523 212 D N 0.776 120.021 120.400 -1.926 0.000 2.395 212 D HA -0.024 4.654 4.640 0.062 0.000 0.226 212 D C 1.477 177.446 176.300 -0.551 0.000 1.146 212 D CA 0.078 53.304 54.000 -1.290 0.000 0.830 212 D CB -0.658 39.019 40.800 -1.872 0.000 0.958 212 D HN 0.024 nan 8.370 nan 0.000 0.501 213 N N 0.428 118.929 118.700 -0.331 0.000 2.132 213 N HA -0.220 4.557 4.740 0.062 0.000 0.191 213 N C 1.654 177.116 175.510 -0.080 0.000 1.015 213 N CA 1.674 54.673 53.050 -0.084 0.000 0.864 213 N CB -0.041 38.421 38.487 -0.041 0.000 1.006 213 N HN 0.168 nan 8.380 nan 0.000 0.430 214 A N 0.061 122.827 122.820 -0.090 0.000 2.070 214 A HA -0.113 4.245 4.320 0.062 0.000 0.220 214 A C 1.897 179.452 177.584 -0.049 0.000 1.159 214 A CA 1.263 53.268 52.037 -0.053 0.000 0.656 214 A CB -0.269 18.707 19.000 -0.040 0.000 0.800 214 A HN 0.388 nan 8.150 nan 0.000 0.453 215 K N -0.448 119.910 120.400 -0.070 0.000 2.393 215 K HA 0.054 4.411 4.320 0.062 0.000 0.193 215 K C -0.146 176.448 176.600 -0.010 0.000 1.026 215 K CA 0.175 56.438 56.287 -0.041 0.000 1.064 215 K CB 0.101 32.568 32.500 -0.055 0.000 0.833 215 K HN 0.300 nan 8.250 nan 0.000 0.521 216 T N 1.101 115.644 114.554 -0.017 0.000 2.901 216 T HA 0.061 4.449 4.350 0.062 0.000 0.301 216 T C 1.285 176.006 174.700 0.035 0.000 1.012 216 T CA -0.139 61.965 62.100 0.007 0.000 1.135 216 T CB 1.685 70.508 68.868 -0.075 0.000 0.936 216 T HN -0.184 nan 8.240 nan 0.000 0.539 217 V N 2.923 122.894 119.914 0.094 0.000 2.911 217 V HA 0.170 4.327 4.120 0.062 0.000 0.237 217 V C 0.989 177.162 176.094 0.132 0.000 1.156 217 V CA 0.137 62.501 62.300 0.107 0.000 1.180 217 V CB 0.149 32.057 31.823 0.143 0.000 0.932 217 V HN 0.720 nan 8.190 nan 0.000 0.483 218 I N 2.784 123.464 120.570 0.184 0.000 2.598 218 I HA 0.060 4.267 4.170 0.062 0.000 0.284 218 I C 1.015 177.268 176.117 0.227 0.000 1.140 218 I CA 0.585 61.997 61.300 0.186 0.000 1.420 218 I CB 0.410 38.516 38.000 0.177 0.000 1.387 218 I HN 0.326 nan 8.210 nan 0.000 0.553 219 N N 4.422 123.214 118.700 0.154 0.000 2.395 219 N HA -0.026 4.751 4.740 0.062 0.000 0.175 219 N C 0.456 176.076 175.510 0.184 0.000 1.029 219 N CA 0.525 53.662 53.050 0.145 0.000 0.897 219 N CB 0.566 39.099 38.487 0.076 0.000 0.991 219 N HN 0.652 nan 8.380 nan 0.000 0.441 220 Q N 0.528 120.406 119.800 0.129 0.000 2.295 220 Q HA 0.407 4.784 4.340 0.062 0.000 0.268 220 Q C -2.107 173.865 176.000 -0.047 0.000 1.010 220 Q CA -0.436 55.404 55.803 0.062 0.000 0.856 220 Q CB 2.372 31.129 28.738 0.032 0.000 1.349 220 Q HN -0.106 nan 8.270 nan 0.000 0.412 221 V N 2.896 122.719 119.914 -0.152 0.000 2.656 221 V HA 0.715 4.873 4.120 0.062 0.000 0.307 221 V C -1.251 174.702 176.094 -0.235 0.000 1.051 221 V CA -0.031 62.107 62.300 -0.270 0.000 0.893 221 V CB 2.365 33.909 31.823 -0.466 0.000 0.999 221 V HN 0.893 nan 8.190 nan 0.000 0.426 222 T N 6.560 120.961 114.554 -0.256 0.000 2.823 222 T HA 0.608 4.995 4.350 0.062 0.000 0.279 222 T C -1.367 173.149 174.700 -0.307 0.000 0.998 222 T CA 0.081 62.078 62.100 -0.171 0.000 0.994 222 T CB 0.958 69.766 68.868 -0.099 0.000 0.960 222 T HN 0.574 nan 8.240 nan 0.000 0.448 223 Y N 2.525 122.759 120.300 -0.110 0.000 2.328 223 Y HA 0.544 5.130 4.550 0.059 0.000 0.337 223 Y C 0.136 175.982 175.900 -0.091 0.000 0.966 223 Y CA -0.929 57.100 58.100 -0.117 0.000 1.136 223 Y CB 0.921 39.286 38.460 -0.158 0.000 1.170 223 Y HN 0.378 nan 8.280 nan 0.000 0.470 224 L N 5.910 127.157 121.223 0.040 0.000 2.352 224 L HA 0.521 4.898 4.340 0.062 0.000 0.269 224 L C -1.987 174.871 176.870 -0.020 0.000 1.034 224 L CA -1.983 52.863 54.840 0.009 0.000 0.806 224 L CB 1.872 43.924 42.059 -0.012 0.000 1.244 224 L HN 0.417 nan 8.230 nan 0.000 0.447 225 P HA 0.268 nan 4.420 nan 0.000 0.253 225 P C -0.392 176.859 177.300 -0.082 0.000 1.863 225 P CA -0.071 62.990 63.100 -0.064 0.000 1.145 225 P CB -0.013 31.683 31.700 -0.006 0.000 1.666 226 I N 1.096 121.613 120.570 -0.088 0.000 2.337 226 I HA 0.051 4.259 4.170 0.062 0.000 0.291 226 I C 1.633 177.686 176.117 -0.106 0.000 1.046 226 I CA 0.050 61.308 61.300 -0.069 0.000 1.324 226 I CB 0.974 38.951 38.000 -0.038 0.000 1.409 226 I HN 0.011 nan 8.210 nan 0.000 0.494 227 S N 2.240 117.889 115.700 -0.086 0.000 2.501 227 S HA -0.018 4.489 4.470 0.062 0.000 0.220 227 S C 1.009 175.578 174.600 -0.051 0.000 0.997 227 S CA -0.314 57.830 58.200 -0.095 0.000 0.919 227 S CB 0.097 63.260 63.200 -0.062 0.000 0.778 227 S HN 0.601 nan 8.310 nan 0.000 0.523 228 S N 1.420 117.102 115.700 -0.030 0.000 2.405 228 S HA 0.242 4.750 4.470 0.062 0.000 0.291 228 S C 0.671 175.260 174.600 -0.018 0.000 1.137 228 S CA -0.549 57.641 58.200 -0.017 0.000 1.061 228 S CB 0.610 63.807 63.200 -0.004 0.000 1.001 228 S HN 0.352 nan 8.310 nan 0.000 0.507 229 E N 3.553 123.739 120.200 -0.025 0.000 2.110 229 E HA -0.096 4.291 4.350 0.062 0.000 0.193 229 E C 1.932 178.523 176.600 -0.015 0.000 0.988 229 E CA 1.171 57.559 56.400 -0.021 0.000 0.804 229 E CB -0.213 29.461 29.700 -0.043 0.000 0.745 229 E HN 0.590 nan 8.360 nan 0.000 0.458 230 V N 0.809 120.717 119.914 -0.011 0.000 2.287 230 V HA -0.300 3.857 4.120 0.062 0.000 0.248 230 V C 2.150 178.249 176.094 0.007 0.000 1.053 230 V CA 2.285 64.584 62.300 -0.001 0.000 1.027 230 V CB -0.869 30.955 31.823 0.000 0.000 0.646 230 V HN 0.355 nan 8.190 nan 0.000 0.447 231 T N -0.592 113.965 114.554 0.006 0.000 2.788 231 T HA -0.218 4.169 4.350 0.062 0.000 0.268 231 T C 1.773 176.484 174.700 0.018 0.000 1.044 231 T CA 1.686 63.793 62.100 0.011 0.000 1.139 231 T CB -0.396 68.475 68.868 0.006 0.000 0.867 231 T HN 0.539 nan 8.240 nan 0.000 0.454 232 D N 1.025 121.432 120.400 0.012 0.000 2.092 232 D HA -0.093 4.584 4.640 0.062 0.000 0.193 232 D C 2.187 178.512 176.300 0.041 0.000 0.994 232 D CA 0.853 54.865 54.000 0.021 0.000 0.828 232 D CB -0.509 40.297 40.800 0.010 0.000 0.963 232 D HN 0.178 nan 8.370 nan 0.000 0.450 233 V N 1.178 121.102 119.914 0.017 0.000 2.287 233 V HA -0.265 3.893 4.120 0.062 0.000 0.248 233 V C 2.268 178.417 176.094 0.091 0.000 1.053 233 V CA 1.840 64.155 62.300 0.025 0.000 1.027 233 V CB -0.676 31.144 31.823 -0.004 0.000 0.646 233 V HN 0.240 nan 8.190 nan 0.000 0.447 234 N N 0.428 119.164 118.700 0.059 0.000 2.069 234 N HA -0.177 4.600 4.740 0.062 0.000 0.191 234 N C 1.937 177.488 175.510 0.068 0.000 1.031 234 N CA 1.554 54.639 53.050 0.057 0.000 0.852 234 N CB -0.382 38.126 38.487 0.034 0.000 1.018 234 N HN 0.492 nan 8.380 nan 0.000 0.423 235 R N -0.870 119.672 120.500 0.069 0.000 2.236 235 R HA -0.031 4.346 4.340 0.062 0.000 0.208 235 R C 1.796 178.146 176.300 0.083 0.000 1.036 235 R CA 0.325 56.460 56.100 0.058 0.000 1.001 235 R CB -0.194 30.130 30.300 0.040 0.000 0.896 235 R HN 0.351 nan 8.270 nan 0.000 0.464 236 Y N 1.434 121.723 120.300 -0.019 0.000 2.184 236 Y HA -0.092 4.494 4.550 0.060 0.000 0.290 236 Y C 1.940 177.829 175.900 -0.017 0.000 1.129 236 Y CA 1.349 59.430 58.100 -0.031 0.000 1.144 236 Y CB 0.114 38.539 38.460 -0.058 0.000 0.995 236 Y HN -0.210 nan 8.280 nan 0.000 0.513 237 R N -0.060 120.546 120.500 0.176 0.000 2.235 237 R HA -0.076 4.302 4.340 0.062 0.000 0.213 237 R C 2.350 178.655 176.300 0.008 0.000 1.059 237 R CA 1.108 57.254 56.100 0.076 0.000 0.997 237 R CB -0.367 30.006 30.300 0.122 0.000 0.884 237 R HN 0.483 nan 8.270 nan 0.000 0.462 238 S N -1.061 114.647 115.700 0.012 0.000 2.522 238 S HA 0.070 4.578 4.470 0.062 0.000 0.227 238 S C 1.483 176.080 174.600 -0.006 0.000 0.986 238 S CA 0.727 58.931 58.200 0.006 0.000 0.929 238 S CB 0.586 63.794 63.200 0.013 0.000 0.769 238 S HN 0.475 nan 8.310 nan 0.000 0.529 239 G N 1.056 109.836 108.800 -0.034 0.000 2.238 239 G HA2 -0.281 3.716 3.960 0.062 0.000 0.217 239 G HA3 -0.281 3.716 3.960 0.062 0.000 0.217 239 G C 0.684 175.584 174.900 -0.001 0.000 0.996 239 G CA 0.431 45.526 45.100 -0.008 0.000 0.632 239 G HN 0.513 nan 8.290 nan 0.000 0.503 240 E N 0.038 120.235 120.200 -0.006 0.000 2.072 240 E HA 0.086 4.473 4.350 0.062 0.000 0.191 240 E C 0.858 177.458 176.600 0.001 0.000 0.985 240 E CA 0.555 56.956 56.400 0.002 0.000 0.801 240 E CB -0.035 29.668 29.700 0.005 0.000 0.750 240 E HN 0.602 nan 8.360 nan 0.000 0.452 241 I N 1.540 122.108 120.570 -0.003 0.000 2.359 241 I HA 0.056 4.263 4.170 0.062 0.000 0.294 241 I C 0.335 176.440 176.117 -0.020 0.000 0.987 241 I CA -0.540 60.770 61.300 0.017 0.000 1.225 241 I CB 1.599 39.649 38.000 0.083 0.000 1.366 241 I HN -0.010 nan 8.210 nan 0.000 0.466 242 D N 5.512 125.908 120.400 -0.007 0.000 2.301 242 D HA 0.163 4.841 4.640 0.062 0.000 0.206 242 D C 0.177 176.483 176.300 0.011 0.000 0.979 242 D CA 1.224 55.191 54.000 -0.055 0.000 0.874 242 D CB 0.615 41.408 40.800 -0.012 0.000 0.968 242 D HN 0.405 nan 8.370 nan 0.000 0.510 243 M N 0.784 120.393 119.600 0.014 0.000 2.224 243 M HA 0.148 4.666 4.480 0.062 0.000 0.281 243 M C -0.273 175.985 176.300 -0.069 0.000 1.025 243 M CA -0.458 54.795 55.300 -0.078 0.000 0.954 243 M CB 2.681 35.145 32.600 -0.226 0.000 1.639 243 M HN -0.223 nan 8.290 nan 0.000 0.461 244 T N -0.625 113.848 114.554 -0.135 0.000 2.754 244 T HA 0.307 4.694 4.350 0.062 0.000 0.286 244 T C -0.197 174.459 174.700 -0.073 0.000 0.997 244 T CA -0.300 61.740 62.100 -0.101 0.000 0.982 244 T CB 0.931 69.682 68.868 -0.195 0.000 1.027 244 T HN 0.475 nan 8.240 nan 0.000 0.529 245 Y N 1.911 122.130 120.300 -0.135 0.000 2.330 245 Y HA 0.245 4.833 4.550 0.064 0.000 0.341 245 Y C 0.924 176.746 175.900 -0.129 0.000 1.278 245 Y CA -0.921 57.104 58.100 -0.125 0.000 1.453 245 Y CB 0.457 38.851 38.460 -0.111 0.000 1.342 245 Y HN 0.811 nan 8.280 nan 0.000 0.590 246 N N 2.694 120.874 118.700 -0.867 0.000 3.271 246 N HA 0.169 4.947 4.740 0.062 0.000 0.303 246 N C -1.784 173.472 175.510 -0.424 0.000 1.415 246 N CA -0.336 52.383 53.050 -0.552 0.000 1.159 246 N CB -0.417 37.772 38.487 -0.496 0.000 1.432 246 N HN 0.441 nan 8.380 nan 0.000 0.521 247 N N 0.537 119.100 118.700 -0.228 0.000 2.500 247 N HA 0.344 5.121 4.740 0.062 0.000 0.291 247 N C -1.198 174.263 175.510 -0.081 0.000 1.092 247 N CA -0.327 52.704 53.050 -0.030 0.000 0.890 247 N CB 1.310 39.879 38.487 0.137 0.000 1.466 247 N HN 0.162 nan 8.380 nan 0.000 0.507 248 M N 3.045 122.549 119.600 -0.160 0.000 2.404 248 M HA 0.497 5.014 4.480 0.062 0.000 0.338 248 M C -2.324 173.868 176.300 -0.181 0.000 1.150 248 M CA -2.110 53.066 55.300 -0.206 0.000 1.016 248 M CB 1.637 33.981 32.600 -0.426 0.000 1.672 248 M HN 0.297 nan 8.290 nan 0.000 0.448 249 P HA 0.245 nan 4.420 nan 0.000 0.279 249 P C 0.512 177.790 177.300 -0.038 0.000 1.239 249 P CA -0.168 62.894 63.100 -0.064 0.000 0.789 249 P CB 1.090 32.776 31.700 -0.023 0.000 0.933 250 I N 1.512 122.052 120.570 -0.051 0.000 2.439 250 I HA -0.226 3.981 4.170 0.062 0.000 0.251 250 I C 1.992 178.116 176.117 0.012 0.000 1.139 250 I CA 1.418 62.702 61.300 -0.027 0.000 1.438 250 I CB -0.457 37.511 38.000 -0.054 0.000 1.085 250 I HN 0.332 nan 8.210 nan 0.000 0.427 251 E N 1.016 121.218 120.200 0.003 0.000 2.085 251 E HA -0.177 4.211 4.350 0.062 0.000 0.194 251 E C 1.996 178.609 176.600 0.021 0.000 0.994 251 E CA 1.374 57.779 56.400 0.008 0.000 0.801 251 E CB -0.044 29.657 29.700 0.002 0.000 0.743 251 E HN 0.480 nan 8.360 nan 0.000 0.453 252 L N -1.616 119.632 121.223 0.041 0.000 2.642 252 L HA 0.184 4.561 4.340 0.062 0.000 0.233 252 L C 1.730 178.643 176.870 0.072 0.000 1.077 252 L CA -0.256 54.609 54.840 0.042 0.000 0.879 252 L CB -0.127 41.953 42.059 0.034 0.000 1.151 252 L HN 0.044 nan 8.230 nan 0.000 0.495 253 F N 2.242 122.155 119.950 -0.062 0.000 2.063 253 F HA -0.308 4.255 4.527 0.059 0.000 0.298 253 F C 2.681 178.443 175.800 -0.063 0.000 1.109 253 F CA 1.873 59.831 58.000 -0.071 0.000 1.212 253 F CB -0.162 38.791 39.000 -0.079 0.000 0.973 253 F HN 0.073 nan 8.300 nan 0.000 0.480 254 Q N 0.739 120.483 119.800 -0.093 0.000 2.045 254 Q HA -0.241 4.137 4.340 0.062 0.000 0.206 254 Q C 2.190 178.059 176.000 -0.219 0.000 0.991 254 Q CA 2.151 57.832 55.803 -0.203 0.000 0.851 254 Q CB -0.809 27.887 28.738 -0.069 0.000 0.911 254 Q HN 0.465 nan 8.270 nan 0.000 0.418 255 K N 0.484 120.809 120.400 -0.125 0.000 2.034 255 K HA -0.141 4.217 4.320 0.062 0.000 0.214 255 K C 2.308 178.826 176.600 -0.137 0.000 1.051 255 K CA 1.372 57.598 56.287 -0.101 0.000 0.931 255 K CB -0.412 32.056 32.500 -0.053 0.000 0.715 255 K HN 0.128 nan 8.250 nan 0.000 0.446 256 L N 0.896 122.020 121.223 -0.166 0.000 2.079 256 L HA -0.203 4.174 4.340 0.062 0.000 0.210 256 L C 2.406 179.137 176.870 -0.231 0.000 1.081 256 L CA 1.000 55.738 54.840 -0.171 0.000 0.752 256 L CB -0.472 41.499 42.059 -0.147 0.000 0.896 256 L HN 0.107 nan 8.230 nan 0.000 0.433 257 K N 0.260 120.430 120.400 -0.384 0.000 2.147 257 K HA -0.122 4.235 4.320 0.062 0.000 0.205 257 K C 2.087 178.568 176.600 -0.198 0.000 1.049 257 K CA 1.201 57.284 56.287 -0.341 0.000 0.936 257 K CB -0.051 32.172 32.500 -0.462 0.000 0.722 257 K HN 0.182 nan 8.250 nan 0.000 0.446 258 K N 0.323 120.621 120.400 -0.170 0.000 2.137 258 K HA -0.023 4.334 4.320 0.062 0.000 0.202 258 K C 1.995 178.546 176.600 -0.082 0.000 1.052 258 K CA 0.803 57.024 56.287 -0.110 0.000 0.961 258 K CB 0.074 32.518 32.500 -0.094 0.000 0.741 258 K HN 0.237 nan 8.250 nan 0.000 0.452 259 E N 0.468 120.619 120.200 -0.082 0.000 2.086 259 E HA 0.022 4.410 4.350 0.062 0.000 0.190 259 E C 0.447 177.021 176.600 -0.044 0.000 0.975 259 E CA 0.576 56.944 56.400 -0.052 0.000 0.813 259 E CB 0.377 30.052 29.700 -0.042 0.000 0.768 259 E HN 0.284 nan 8.360 nan 0.000 0.457 260 I N -3.085 117.452 120.570 -0.056 0.000 2.926 260 I HA 0.323 4.530 4.170 0.062 0.000 0.295 260 I C -2.326 173.755 176.117 -0.060 0.000 1.463 260 I CA -1.703 59.573 61.300 -0.041 0.000 0.892 260 I CB 1.413 39.407 38.000 -0.009 0.000 1.874 260 I HN -0.191 nan 8.210 nan 0.000 0.620 261 P HA -0.173 nan 4.420 nan 0.000 0.216 261 P C 0.907 178.174 177.300 -0.055 0.000 1.153 261 P CA 1.585 64.643 63.100 -0.071 0.000 0.858 261 P CB 0.049 31.713 31.700 -0.061 0.000 0.789 262 N N -0.027 118.647 118.700 -0.043 0.000 2.453 262 N HA -0.113 4.665 4.740 0.062 0.000 0.183 262 N C 1.512 176.994 175.510 -0.046 0.000 1.041 262 N CA 0.910 53.938 53.050 -0.038 0.000 0.900 262 N CB -0.325 38.144 38.487 -0.030 0.000 0.961 262 N HN 0.451 nan 8.380 nan 0.000 0.443 263 E N -0.041 120.128 120.200 -0.051 0.000 2.447 263 E HA 0.086 4.474 4.350 0.062 0.000 0.195 263 E C -0.177 176.373 176.600 -0.083 0.000 1.028 263 E CA -0.002 56.364 56.400 -0.058 0.000 0.876 263 E CB 0.716 30.413 29.700 -0.006 0.000 0.885 263 E HN -0.016 nan 8.360 nan 0.000 0.500 264 V N 3.782 123.652 119.914 -0.074 0.000 2.372 264 V HA 0.129 4.286 4.120 0.062 0.000 0.261 264 V C 0.103 176.183 176.094 -0.024 0.000 1.055 264 V CA -0.333 61.931 62.300 -0.061 0.000 0.930 264 V CB 0.281 32.065 31.823 -0.065 0.000 1.031 264 V HN 0.110 nan 8.190 nan 0.000 0.479 265 R N 3.969 124.461 120.500 -0.014 0.000 2.254 265 R HA 0.586 4.964 4.340 0.062 0.000 0.318 265 R C -0.867 175.447 176.300 0.024 0.000 1.031 265 R CA -0.476 55.637 56.100 0.023 0.000 0.905 265 R CB 1.643 32.006 30.300 0.105 0.000 1.050 265 R HN 0.430 nan 8.270 nan 0.000 0.456 266 V N 4.199 124.123 119.914 0.016 0.000 2.447 266 V HA 0.325 4.482 4.120 0.062 0.000 0.292 266 V C -0.429 175.659 176.094 -0.010 0.000 1.021 266 V CA -0.682 61.628 62.300 0.017 0.000 0.850 266 V CB 1.856 33.710 31.823 0.051 0.000 1.005 266 V HN 0.672 nan 8.190 nan 0.000 0.426 267 D N 4.579 124.962 120.400 -0.028 0.000 2.552 267 D HA 0.489 5.166 4.640 0.062 0.000 0.239 267 D C -2.833 173.464 176.300 -0.006 0.000 1.139 267 D CA -1.431 52.544 54.000 -0.042 0.000 0.914 267 D CB 2.908 43.653 40.800 -0.092 0.000 1.461 267 D HN 0.193 nan 8.370 nan 0.000 0.462 268 P HA 0.068 nan 4.420 nan 0.000 0.268 268 P C -0.957 176.473 177.300 0.216 0.000 1.208 268 P CA 0.214 63.347 63.100 0.055 0.000 0.777 268 P CB 0.295 31.991 31.700 -0.006 0.000 0.875 269 Y N 1.431 121.836 120.300 0.176 0.000 2.399 269 Y HA 0.312 4.901 4.550 0.065 0.000 0.327 269 Y C -0.943 175.127 175.900 0.282 0.000 1.111 269 Y CA -1.133 57.074 58.100 0.179 0.000 1.047 269 Y CB 1.207 39.752 38.460 0.141 0.000 1.259 269 Y HN 0.151 nan 8.280 nan 0.000 0.434 270 L N 6.099 127.448 121.223 0.209 0.000 2.480 270 L HA 0.336 4.713 4.340 0.062 0.000 0.243 270 L C -0.858 175.974 176.870 -0.062 0.000 1.315 270 L CA 0.165 55.010 54.840 0.009 0.000 1.231 270 L CB -0.587 41.469 42.059 -0.005 0.000 1.444 270 L HN 0.544 nan 8.230 nan 0.000 0.409 271 c N -0.498 118.049 118.600 -0.089 0.000 2.797 271 c HA 0.665 5.273 4.570 0.062 0.000 0.306 271 c C 0.341 174.645 174.090 0.357 0.000 1.207 271 c CA -0.670 55.610 56.329 -0.080 0.000 1.507 271 c CB 2.177 44.164 42.510 -0.873 0.000 2.028 271 c HN 0.450 nan 8.230 nan 0.000 0.475 272 T N 1.404 116.256 114.554 0.497 0.000 2.812 272 T HA 0.402 4.790 4.350 0.062 0.000 0.282 272 T C -1.217 173.841 174.700 0.597 0.000 0.990 272 T CA -0.169 62.242 62.100 0.518 0.000 0.960 272 T CB 0.748 69.844 68.868 0.381 0.000 0.948 272 T HN 0.543 nan 8.240 nan 0.000 0.438 273 Y N 4.938 125.282 120.300 0.074 0.000 2.327 273 Y HA 0.544 5.130 4.550 0.061 0.000 0.336 273 Y C -0.765 175.045 175.900 -0.151 0.000 1.035 273 Y CA -0.758 57.172 58.100 -0.283 0.000 1.165 273 Y CB 0.374 38.004 38.460 -1.383 0.000 1.181 273 Y HN 0.698 nan 8.280 nan 0.000 0.494 274 Y N 2.518 122.681 120.300 -0.228 0.000 2.670 274 Y HA 0.568 5.154 4.550 0.061 0.000 0.334 274 Y C -2.397 173.282 175.900 -0.369 0.000 1.185 274 Y CA -2.399 55.605 58.100 -0.159 0.000 1.053 274 Y CB 0.546 38.995 38.460 -0.018 0.000 1.298 274 Y HN 0.402 nan 8.280 nan 0.000 0.459 275 Y N 1.276 121.685 120.300 0.182 0.000 2.353 275 Y HA 0.315 4.903 4.550 0.064 0.000 0.340 275 Y C 0.299 176.273 175.900 0.122 0.000 0.972 275 Y CA -0.746 57.414 58.100 0.099 0.000 1.157 275 Y CB 1.395 40.009 38.460 0.256 0.000 1.157 275 Y HN 0.686 nan 8.280 nan 0.000 0.495 276 E N 4.668 124.908 120.200 0.067 0.000 2.217 276 E HA 0.264 4.651 4.350 0.062 0.000 0.279 276 E C -0.904 175.808 176.600 0.185 0.000 1.068 276 E CA -0.220 56.262 56.400 0.136 0.000 0.882 276 E CB 0.467 30.163 29.700 -0.006 0.000 1.039 276 E HN 0.611 nan 8.360 nan 0.000 0.418 277 I N 4.253 124.866 120.570 0.072 0.000 2.396 277 I HA 0.068 4.275 4.170 0.062 0.000 0.292 277 I C 0.456 176.479 176.117 -0.156 0.000 0.999 277 I CA -0.703 60.526 61.300 -0.118 0.000 1.310 277 I CB 1.034 38.947 38.000 -0.145 0.000 1.404 277 I HN 0.491 nan 8.210 nan 0.000 0.496 278 N N 4.938 123.355 118.700 -0.471 0.000 2.402 278 N HA 0.044 4.822 4.740 0.062 0.000 0.259 278 N C 0.400 175.776 175.510 -0.224 0.000 1.167 278 N CA 0.238 52.962 53.050 -0.543 0.000 0.949 278 N CB 0.201 37.980 38.487 -1.179 0.000 1.212 278 N HN 0.440 nan 8.380 nan 0.000 0.493 279 N N 2.101 120.766 118.700 -0.058 0.000 2.459 279 N HA -0.055 4.722 4.740 0.062 0.000 0.181 279 N C 0.725 176.232 175.510 -0.005 0.000 1.046 279 N CA 0.855 53.911 53.050 0.010 0.000 0.904 279 N CB 0.190 38.729 38.487 0.087 0.000 0.964 279 N HN 0.648 nan 8.380 nan 0.000 0.444 280 Q N -0.434 119.337 119.800 -0.049 0.000 2.403 280 Q HA 0.061 4.438 4.340 0.062 0.000 0.203 280 Q C -0.036 175.912 176.000 -0.086 0.000 0.932 280 Q CA 0.291 56.052 55.803 -0.069 0.000 0.945 280 Q CB 0.347 29.019 28.738 -0.110 0.000 1.045 280 Q HN 0.069 nan 8.270 nan 0.000 0.511 281 K N 1.013 121.365 120.400 -0.081 0.000 2.293 281 K HA 0.413 4.770 4.320 0.062 0.000 0.267 281 K C -0.891 175.718 176.600 0.014 0.000 1.010 281 K CA -0.309 55.951 56.287 -0.045 0.000 0.875 281 K CB 1.019 33.471 32.500 -0.080 0.000 1.106 281 K HN 0.010 nan 8.250 nan 0.000 0.450 282 A N 5.320 128.115 122.820 -0.041 0.000 2.498 282 A HA 0.238 4.595 4.320 0.062 0.000 0.239 282 A C -1.589 175.893 177.584 -0.171 0.000 1.068 282 A CA -0.850 51.127 52.037 -0.100 0.000 0.766 282 A CB -0.154 18.799 19.000 -0.077 0.000 1.003 282 A HN 0.838 nan 8.150 nan 0.000 0.497 283 P HA 0.119 nan 4.420 nan 0.000 0.257 283 P C 0.189 177.177 177.300 -0.520 0.000 1.325 283 P CA 0.306 63.171 63.100 -0.391 0.000 0.850 283 P CB -0.003 31.520 31.700 -0.294 0.000 1.324 284 F N 1.776 121.637 119.950 -0.148 0.000 2.802 284 F HA -0.013 4.551 4.527 0.063 0.000 0.300 284 F C 1.824 177.546 175.800 -0.131 0.000 1.168 284 F CA 0.489 58.374 58.000 -0.191 0.000 1.433 284 F CB -0.995 37.849 39.000 -0.261 0.000 1.115 284 F HN 0.055 nan 8.300 nan 0.000 0.582 285 N N -0.765 117.930 118.700 -0.009 0.000 2.461 285 N HA -0.090 4.687 4.740 0.062 0.000 0.188 285 N C -0.248 175.248 175.510 -0.023 0.000 1.134 285 N CA 0.301 53.344 53.050 -0.011 0.000 0.878 285 N CB -0.438 38.033 38.487 -0.026 0.000 0.972 285 N HN 0.112 nan 8.380 nan 0.000 0.456 286 D N 0.598 120.972 120.400 -0.044 0.000 2.317 286 D HA 0.047 4.724 4.640 0.062 0.000 0.234 286 D C 0.925 177.210 176.300 -0.025 0.000 1.112 286 D CA -0.506 53.472 54.000 -0.036 0.000 0.840 286 D CB 2.058 42.831 40.800 -0.045 0.000 1.078 286 D HN -0.168 nan 8.370 nan 0.000 0.486 287 V N 5.802 125.710 119.914 -0.010 0.000 2.453 287 V HA -0.258 3.900 4.120 0.062 0.000 0.252 287 V C 2.156 178.237 176.094 -0.021 0.000 1.068 287 V CA 1.885 64.180 62.300 -0.008 0.000 1.070 287 V CB -0.195 31.633 31.823 0.008 0.000 0.664 287 V HN 0.537 nan 8.190 nan 0.000 0.461 288 R N -0.866 119.624 120.500 -0.016 0.000 2.096 288 R HA -0.107 4.270 4.340 0.062 0.000 0.235 288 R C 2.149 178.425 176.300 -0.040 0.000 1.127 288 R CA 1.602 57.693 56.100 -0.015 0.000 0.968 288 R CB -0.557 29.746 30.300 0.005 0.000 0.861 288 R HN 0.493 nan 8.270 nan 0.000 0.440 289 V N 1.206 121.085 119.914 -0.058 0.000 2.307 289 V HA -0.237 3.920 4.120 0.062 0.000 0.245 289 V C 2.316 178.329 176.094 -0.135 0.000 1.045 289 V CA 1.742 63.967 62.300 -0.126 0.000 1.024 289 V CB -0.488 31.218 31.823 -0.196 0.000 0.651 289 V HN 0.308 nan 8.190 nan 0.000 0.449 290 R N -0.120 120.330 120.500 -0.083 0.000 2.081 290 R HA -0.140 4.237 4.340 0.062 0.000 0.235 290 R C 2.370 178.607 176.300 -0.105 0.000 1.131 290 R CA 1.929 57.983 56.100 -0.077 0.000 0.960 290 R CB -0.926 29.349 30.300 -0.042 0.000 0.856 290 R HN 0.478 nan 8.270 nan 0.000 0.436 291 T N 1.149 115.643 114.554 -0.100 0.000 2.788 291 T HA -0.123 4.264 4.350 0.062 0.000 0.268 291 T C 1.991 176.612 174.700 -0.131 0.000 1.044 291 T CA 1.392 63.411 62.100 -0.134 0.000 1.139 291 T CB -0.215 68.596 68.868 -0.096 0.000 0.867 291 T HN 0.395 nan 8.240 nan 0.000 0.454 292 A N 1.232 123.991 122.820 -0.101 0.000 1.902 292 A HA 0.017 4.374 4.320 0.062 0.000 0.217 292 A C 2.297 179.817 177.584 -0.107 0.000 1.181 292 A CA 1.160 53.145 52.037 -0.086 0.000 0.623 292 A CB -0.815 18.126 19.000 -0.099 0.000 0.818 292 A HN 0.474 nan 8.150 nan 0.000 0.443 293 L N -0.719 120.385 121.223 -0.197 0.000 2.083 293 L HA -0.190 4.188 4.340 0.062 0.000 0.209 293 L C 2.652 179.609 176.870 0.145 0.000 1.083 293 L CA 1.897 56.577 54.840 -0.267 0.000 0.752 293 L CB -0.399 41.385 42.059 -0.459 0.000 0.899 293 L HN 0.496 nan 8.230 nan 0.000 0.433 294 K N 0.704 121.111 120.400 0.012 0.000 2.025 294 K HA -0.160 4.197 4.320 0.062 0.000 0.207 294 K C 2.115 178.661 176.600 -0.090 0.000 1.049 294 K CA 1.267 57.537 56.287 -0.029 0.000 0.933 294 K CB -0.019 32.334 32.500 -0.245 0.000 0.714 294 K HN 0.235 nan 8.250 nan 0.000 0.438 295 L N 0.235 121.370 121.223 -0.148 0.000 2.109 295 L HA -0.039 4.338 4.340 0.062 0.000 0.207 295 L C 2.505 179.458 176.870 0.138 0.000 1.086 295 L CA 0.953 55.750 54.840 -0.071 0.000 0.760 295 L CB -0.383 41.653 42.059 -0.039 0.000 0.910 295 L HN 0.249 nan 8.230 nan 0.000 0.437 296 A N -0.165 122.776 122.820 0.202 0.000 2.119 296 A HA 0.008 4.366 4.320 0.062 0.000 0.216 296 A C 1.172 178.958 177.584 0.336 0.000 1.152 296 A CA 0.038 52.241 52.037 0.278 0.000 0.708 296 A CB -0.361 18.816 19.000 0.295 0.000 0.805 296 A HN 0.286 nan 8.150 nan 0.000 0.460 297 L N 0.849 122.302 121.223 0.383 0.000 2.462 297 L HA 0.135 4.513 4.340 0.062 0.000 0.272 297 L C -0.514 176.436 176.870 0.133 0.000 1.166 297 L CA -0.268 54.659 54.840 0.144 0.000 0.880 297 L CB 0.498 42.653 42.059 0.160 0.000 1.142 297 L HN 0.119 nan 8.230 nan 0.000 0.473 298 D N 4.611 125.048 120.400 0.062 0.000 2.456 298 D HA 0.149 4.826 4.640 0.062 0.000 0.219 298 D C 1.055 177.395 176.300 0.067 0.000 1.126 298 D CA -0.168 53.879 54.000 0.079 0.000 0.890 298 D CB 0.809 41.638 40.800 0.049 0.000 1.025 298 D HN 0.541 nan 8.370 nan 0.000 0.511 299 R N 2.130 122.703 120.500 0.122 0.000 2.120 299 R HA -0.123 4.255 4.340 0.062 0.000 0.234 299 R C 1.399 177.739 176.300 0.068 0.000 1.123 299 R CA 1.246 57.421 56.100 0.124 0.000 0.975 299 R CB 0.053 30.488 30.300 0.225 0.000 0.866 299 R HN 0.395 nan 8.270 nan 0.000 0.446 300 D N 0.667 121.092 120.400 0.043 0.000 2.123 300 D HA -0.143 4.534 4.640 0.062 0.000 0.196 300 D C 1.656 177.957 176.300 0.000 0.000 0.992 300 D CA 1.187 55.195 54.000 0.013 0.000 0.833 300 D CB 0.053 40.853 40.800 -0.001 0.000 0.954 300 D HN 0.148 nan 8.370 nan 0.000 0.455 301 I N 0.262 120.833 120.570 0.001 0.000 2.179 301 I HA -0.224 3.983 4.170 0.062 0.000 0.242 301 I C 2.146 178.243 176.117 -0.033 0.000 1.088 301 I CA 0.443 61.734 61.300 -0.016 0.000 1.357 301 I CB -0.165 37.825 38.000 -0.017 0.000 1.051 301 I HN 0.162 nan 8.210 nan 0.000 0.409 302 I N 0.275 120.827 120.570 -0.030 0.000 2.090 302 I HA -0.227 3.980 4.170 0.062 0.000 0.236 302 I C 2.671 178.731 176.117 -0.094 0.000 1.064 302 I CA 1.573 62.840 61.300 -0.054 0.000 1.324 302 I CB -1.065 36.923 38.000 -0.020 0.000 1.044 302 I HN 0.057 nan 8.210 nan 0.000 0.399 303 V N 1.639 121.508 119.914 -0.076 0.000 2.287 303 V HA -0.282 3.876 4.120 0.062 0.000 0.248 303 V C 1.752 177.776 176.094 -0.116 0.000 1.053 303 V CA 2.438 64.655 62.300 -0.138 0.000 1.027 303 V CB -0.935 30.857 31.823 -0.053 0.000 0.646 303 V HN 0.516 nan 8.190 nan 0.000 0.447 304 N N -1.263 117.399 118.700 -0.062 0.000 2.294 304 N HA 0.066 4.843 4.740 0.062 0.000 0.186 304 N C 1.563 177.048 175.510 -0.043 0.000 1.107 304 N CA 0.042 53.063 53.050 -0.048 0.000 0.884 304 N CB 0.271 38.742 38.487 -0.025 0.000 1.030 304 N HN 0.409 nan 8.380 nan 0.000 0.482 305 K N 0.442 120.815 120.400 -0.044 0.000 2.262 305 K HA 0.131 4.488 4.320 0.062 0.000 0.200 305 K C 1.912 178.485 176.600 -0.046 0.000 1.058 305 K CA 0.733 56.998 56.287 -0.037 0.000 0.974 305 K CB 0.142 32.625 32.500 -0.029 0.000 0.910 305 K HN 0.075 nan 8.250 nan 0.000 0.484 306 V N 0.112 119.989 119.914 -0.062 0.000 3.125 306 V HA 0.095 4.252 4.120 0.062 0.000 0.249 306 V C 1.911 177.951 176.094 -0.090 0.000 1.113 306 V CA 1.158 63.417 62.300 -0.068 0.000 1.106 306 V CB 0.188 31.969 31.823 -0.070 0.000 0.768 306 V HN 0.147 nan 8.190 nan 0.000 0.468 307 K N 0.394 120.718 120.400 -0.127 0.000 2.273 307 K HA 0.151 4.509 4.320 0.062 0.000 0.206 307 K C 0.990 177.502 176.600 -0.147 0.000 1.072 307 K CA 0.526 56.705 56.287 -0.179 0.000 0.953 307 K CB 0.009 32.323 32.500 -0.310 0.000 1.043 307 K HN 0.491 nan 8.250 nan 0.000 0.477 308 N N 1.787 120.406 118.700 -0.135 0.000 2.678 308 N HA -0.210 4.567 4.740 0.062 0.000 0.268 308 N C -0.761 174.745 175.510 -0.006 0.000 1.010 308 N CA 0.572 53.581 53.050 -0.068 0.000 0.784 308 N CB -0.403 38.072 38.487 -0.019 0.000 0.905 308 N HN 0.486 nan 8.380 nan 0.000 0.552 309 Q N -0.442 119.290 119.800 -0.113 0.000 2.135 309 Q HA 0.237 4.614 4.340 0.062 0.000 0.222 309 Q C 1.200 177.173 176.000 -0.045 0.000 0.808 309 Q CA 0.389 56.143 55.803 -0.083 0.000 1.049 309 Q CB 0.804 29.213 28.738 -0.550 0.000 1.168 309 Q HN 0.613 nan 8.270 nan 0.000 0.483 310 G N 1.085 109.856 108.800 -0.049 0.000 2.144 310 G HA2 -0.165 3.832 3.960 0.062 0.000 0.218 310 G HA3 -0.165 3.832 3.960 0.062 0.000 0.218 310 G C -0.317 174.555 174.900 -0.047 0.000 0.988 310 G CA -0.336 44.750 45.100 -0.023 0.000 0.659 310 G HN 0.290 nan 8.290 nan 0.000 0.522 311 D N 0.165 120.475 120.400 -0.150 0.000 2.339 311 D HA 0.498 5.175 4.640 0.062 0.000 0.245 311 D C 0.286 176.583 176.300 -0.004 0.000 1.115 311 D CA 0.160 54.076 54.000 -0.139 0.000 0.917 311 D CB 1.522 41.946 40.800 -0.627 0.000 1.192 311 D HN 0.081 nan 8.370 nan 0.000 0.428 312 L N 2.328 123.648 121.223 0.162 0.000 2.329 312 L HA 0.332 4.709 4.340 0.062 0.000 0.279 312 L C -2.305 174.704 176.870 0.232 0.000 1.014 312 L CA -1.963 53.016 54.840 0.231 0.000 0.814 312 L CB 1.141 43.406 42.059 0.342 0.000 1.257 312 L HN 0.056 nan 8.230 nan 0.000 0.424 313 P HA 0.146 nan 4.420 nan 0.000 0.262 313 P C -0.968 176.440 177.300 0.181 0.000 1.182 313 P CA -0.048 63.223 63.100 0.285 0.000 0.761 313 P CB 0.556 32.505 31.700 0.415 0.000 0.795 314 A N 3.467 126.202 122.820 -0.141 0.000 2.312 314 A HA 0.568 4.925 4.320 0.062 0.000 0.328 314 A C -0.398 177.011 177.584 -0.292 0.000 1.158 314 A CA -0.379 51.251 52.037 -0.679 0.000 0.821 314 A CB 0.318 18.701 19.000 -1.028 0.000 1.170 314 A HN 0.700 nan 8.150 nan 0.000 0.490 315 Y N -0.022 120.073 120.300 -0.341 0.000 2.672 315 Y HA 0.468 5.056 4.550 0.063 0.000 0.252 315 Y C 0.246 176.114 175.900 -0.053 0.000 1.132 315 Y CA -0.169 57.725 58.100 -0.343 0.000 1.228 315 Y CB -0.471 37.270 38.460 -1.198 0.000 1.310 315 Y HN 0.657 nan 8.280 nan 0.000 0.549 316 S N -1.716 113.819 115.700 -0.274 0.000 2.720 316 S HA 0.371 4.878 4.470 0.062 0.000 0.287 316 S C -0.370 174.219 174.600 -0.019 0.000 1.168 316 S CA -0.478 57.663 58.200 -0.099 0.000 0.832 316 S CB 1.506 64.578 63.200 -0.213 0.000 1.166 316 S HN 0.116 nan 8.310 nan 0.000 0.493 317 Y N 1.707 121.894 120.300 -0.188 0.000 2.239 317 Y HA 0.324 4.913 4.550 0.065 0.000 0.293 317 Y C 1.078 176.771 175.900 -0.344 0.000 1.126 317 Y CA 1.009 58.972 58.100 -0.229 0.000 1.128 317 Y CB -0.791 37.521 38.460 -0.247 0.000 1.066 317 Y HN 0.705 nan 8.280 nan 0.000 0.516 318 T N 5.312 119.555 114.554 -0.518 0.000 2.888 318 T HA 0.147 4.534 4.350 0.062 0.000 0.301 318 T C -2.577 171.578 174.700 -0.908 0.000 1.001 318 T CA -0.816 60.643 62.100 -1.068 0.000 1.147 318 T CB 0.767 69.259 68.868 -0.627 0.000 0.931 318 T HN 0.087 nan 8.240 nan 0.000 0.541 319 P HA 0.136 nan 4.420 nan 0.000 0.268 319 P C -1.801 174.883 177.300 -1.027 0.000 1.205 319 P CA -1.428 60.964 63.100 -1.179 0.000 0.771 319 P CB 0.242 31.133 31.700 -1.348 0.000 0.858 320 P HA -0.096 nan 4.420 nan 0.000 0.230 320 P C 0.370 177.514 177.300 -0.259 0.000 1.158 320 P CA 1.270 64.106 63.100 -0.440 0.000 0.769 320 P CB -0.362 31.187 31.700 -0.251 0.000 0.807 321 Y N -2.692 117.424 120.300 -0.308 0.000 2.524 321 Y HA 0.409 4.995 4.550 0.059 0.000 0.266 321 Y C 0.398 176.203 175.900 -0.158 0.000 1.180 321 Y CA -1.027 56.963 58.100 -0.183 0.000 1.244 321 Y CB -1.613 36.760 38.460 -0.145 0.000 1.125 321 Y HN -0.340 nan 8.280 nan 0.000 0.524 322 T N 2.261 116.550 114.554 -0.442 0.000 2.940 322 T HA -0.087 4.300 4.350 0.062 0.000 0.309 322 T C -0.157 174.451 174.700 -0.155 0.000 1.056 322 T CA -0.083 61.825 62.100 -0.320 0.000 1.137 322 T CB 0.325 68.933 68.868 -0.434 0.000 0.976 322 T HN 0.298 nan 8.240 nan 0.000 0.547 323 D N 1.204 121.552 120.400 -0.087 0.000 2.389 323 D HA 0.221 4.898 4.640 0.062 0.000 0.263 323 D C 1.264 177.541 176.300 -0.038 0.000 1.255 323 D CA 1.279 55.264 54.000 -0.026 0.000 0.914 323 D CB -0.339 40.469 40.800 0.013 0.000 1.116 323 D HN 0.847 nan 8.370 nan 0.000 0.502 324 G N 2.481 111.279 108.800 -0.004 0.000 2.201 324 G HA2 -0.087 3.911 3.960 0.062 0.000 0.212 324 G HA3 -0.087 3.911 3.960 0.062 0.000 0.212 324 G C 0.298 175.227 174.900 0.049 0.000 0.994 324 G CA 0.120 45.246 45.100 0.042 0.000 0.644 324 G HN 0.915 nan 8.290 nan 0.000 0.508 325 A N 0.431 123.229 122.820 -0.037 0.000 2.289 325 A HA 0.738 5.096 4.320 0.062 0.000 0.298 325 A C 0.387 177.959 177.584 -0.021 0.000 1.208 325 A CA 0.006 52.009 52.037 -0.057 0.000 0.845 325 A CB 0.514 19.403 19.000 -0.185 0.000 1.125 325 A HN 0.277 nan 8.150 nan 0.000 0.517 326 K N 3.703 124.108 120.400 0.008 0.000 3.029 326 K HA 0.317 4.675 4.320 0.062 0.000 0.169 326 K C -1.093 175.518 176.600 0.019 0.000 1.090 326 K CA -0.047 56.248 56.287 0.013 0.000 0.883 326 K CB 0.706 33.217 32.500 0.018 0.000 1.080 326 K HN 0.692 nan 8.250 nan 0.000 0.613 327 L N 1.010 122.246 121.223 0.021 0.000 2.421 327 L HA 0.407 4.784 4.340 0.062 0.000 0.263 327 L C 0.315 177.210 176.870 0.042 0.000 1.122 327 L CA -1.140 53.730 54.840 0.049 0.000 0.804 327 L CB 1.208 43.313 42.059 0.077 0.000 1.150 327 L HN -0.032 nan 8.230 nan 0.000 0.457 328 V N 1.346 121.277 119.914 0.027 0.000 2.364 328 V HA 0.104 4.261 4.120 0.062 0.000 0.272 328 V C 0.334 176.352 176.094 -0.128 0.000 1.036 328 V CA -0.541 61.736 62.300 -0.037 0.000 0.880 328 V CB 1.150 32.960 31.823 -0.021 0.000 0.991 328 V HN 0.734 nan 8.190 nan 0.000 0.460 329 E N 8.329 128.342 120.200 -0.310 0.000 2.299 329 E HA 0.194 4.582 4.350 0.062 0.000 0.272 329 E C -2.197 174.116 176.600 -0.477 0.000 1.043 329 E CA -1.436 54.527 56.400 -0.730 0.000 0.895 329 E CB 1.057 30.266 29.700 -0.819 0.000 1.011 329 E HN 0.458 nan 8.360 nan 0.000 0.432 330 P HA 0.033 nan 4.420 nan 0.000 0.274 330 P C 0.162 177.156 177.300 -0.510 0.000 1.231 330 P CA -0.190 62.652 63.100 -0.429 0.000 0.790 330 P CB 0.947 32.384 31.700 -0.438 0.000 0.951 331 E N 1.474 121.486 120.200 -0.314 0.000 2.160 331 E HA -0.145 4.242 4.350 0.062 0.000 0.195 331 E C 1.844 178.011 176.600 -0.722 0.000 0.991 331 E CA 1.355 57.586 56.400 -0.281 0.000 0.810 331 E CB -0.508 29.191 29.700 -0.001 0.000 0.742 331 E HN 0.705 nan 8.360 nan 0.000 0.466 332 W N -0.349 120.411 121.300 -0.901 0.000 2.392 332 W HA -0.136 4.562 4.660 0.062 0.000 0.279 332 W C 1.689 177.865 176.519 -0.572 0.000 1.225 332 W CA 0.235 56.742 57.345 -1.398 0.000 1.233 332 W CB -1.172 27.716 29.460 -0.953 0.000 1.122 332 W HN -0.051 nan 8.180 nan 0.000 0.561 333 F N 2.817 122.120 119.950 -1.078 0.000 2.325 333 F HA -0.011 4.553 4.527 0.062 0.000 0.299 333 F C 2.087 177.705 175.800 -0.304 0.000 1.090 333 F CA 1.580 59.130 58.000 -0.750 0.000 1.392 333 F CB -0.183 38.197 39.000 -1.033 0.000 1.053 333 F HN -0.274 nan 8.300 nan 0.000 0.521 334 K N -0.805 119.452 120.400 -0.239 0.000 2.365 334 K HA -0.057 4.300 4.320 0.062 0.000 0.197 334 K C 0.236 176.887 176.600 0.084 0.000 1.042 334 K CA 0.083 56.308 56.287 -0.103 0.000 0.987 334 K CB -0.225 32.261 32.500 -0.024 0.000 0.779 334 K HN 0.050 nan 8.250 nan 0.000 0.484 335 W N 1.919 123.218 121.300 -0.002 0.000 2.073 335 W HA 0.030 4.728 4.660 0.063 0.000 0.358 335 W C 1.148 177.672 176.519 0.007 0.000 1.321 335 W CA -1.184 56.182 57.345 0.035 0.000 1.317 335 W CB -0.550 28.972 29.460 0.104 0.000 1.226 335 W HN -0.043 nan 8.180 nan 0.000 0.622 336 S N 0.142 116.003 115.700 0.269 0.000 2.632 336 S HA 0.078 4.585 4.470 0.062 0.000 0.267 336 S C 0.772 175.487 174.600 0.191 0.000 1.276 336 S CA -0.360 57.928 58.200 0.147 0.000 0.998 336 S CB 1.518 64.768 63.200 0.084 0.000 0.953 336 S HN 0.401 nan 8.310 nan 0.000 0.547 337 Q N 0.385 120.265 119.800 0.134 0.000 2.119 337 Q HA -0.117 4.260 4.340 0.062 0.000 0.201 337 Q C 2.166 178.252 176.000 0.144 0.000 0.972 337 Q CA 1.721 57.614 55.803 0.149 0.000 0.847 337 Q CB -0.485 28.314 28.738 0.103 0.000 0.903 337 Q HN 0.848 nan 8.270 nan 0.000 0.433 338 Q N 0.337 120.197 119.800 0.100 0.000 2.096 338 Q HA -0.232 4.145 4.340 0.062 0.000 0.204 338 Q C 1.906 177.951 176.000 0.075 0.000 0.982 338 Q CA 1.951 57.798 55.803 0.073 0.000 0.850 338 Q CB -0.120 28.643 28.738 0.042 0.000 0.901 338 Q HN 0.423 nan 8.270 nan 0.000 0.422 339 K N -0.026 120.421 120.400 0.077 0.000 2.097 339 K HA -0.118 4.240 4.320 0.062 0.000 0.205 339 K C 2.171 178.869 176.600 0.164 0.000 1.050 339 K CA 0.921 57.216 56.287 0.014 0.000 0.938 339 K CB 0.012 32.430 32.500 -0.138 0.000 0.718 339 K HN 0.101 nan 8.250 nan 0.000 0.442 340 R N 0.387 121.116 120.500 0.381 0.000 2.081 340 R HA -0.078 4.299 4.340 0.062 0.000 0.235 340 R C 2.051 178.506 176.300 0.257 0.000 1.131 340 R CA 1.560 57.937 56.100 0.462 0.000 0.960 340 R CB -0.330 30.216 30.300 0.409 0.000 0.856 340 R HN 0.291 nan 8.270 nan 0.000 0.436 341 N N 0.871 119.680 118.700 0.182 0.000 2.120 341 N HA -0.163 4.614 4.740 0.062 0.000 0.188 341 N C 1.522 177.092 175.510 0.100 0.000 1.024 341 N CA 1.292 54.421 53.050 0.132 0.000 0.852 341 N CB -0.179 38.372 38.487 0.107 0.000 1.003 341 N HN 0.372 nan 8.380 nan 0.000 0.424 342 E N 0.381 120.628 120.200 0.078 0.000 2.106 342 E HA -0.190 4.198 4.350 0.062 0.000 0.192 342 E C 1.659 178.293 176.600 0.057 0.000 0.984 342 E CA 0.792 57.220 56.400 0.047 0.000 0.806 342 E CB 0.004 29.710 29.700 0.010 0.000 0.750 342 E HN 0.338 nan 8.360 nan 0.000 0.458 343 E N 1.206 121.461 120.200 0.091 0.000 2.077 343 E HA -0.162 4.225 4.350 0.062 0.000 0.193 343 E C 1.847 178.508 176.600 0.102 0.000 0.989 343 E CA 1.377 57.849 56.400 0.119 0.000 0.800 343 E CB -0.178 29.678 29.700 0.259 0.000 0.746 343 E HN 0.217 nan 8.360 nan 0.000 0.452 344 A N 0.934 123.816 122.820 0.104 0.000 1.858 344 A HA -0.224 4.134 4.320 0.062 0.000 0.216 344 A C 2.124 179.731 177.584 0.040 0.000 1.190 344 A CA 1.932 54.005 52.037 0.059 0.000 0.617 344 A CB -0.528 18.513 19.000 0.067 0.000 0.827 344 A HN 0.222 nan 8.150 nan 0.000 0.443 345 K N -0.372 120.057 120.400 0.049 0.000 2.063 345 K HA -0.203 4.155 4.320 0.062 0.000 0.208 345 K C 2.255 178.879 176.600 0.041 0.000 1.048 345 K CA 1.739 58.051 56.287 0.041 0.000 0.928 345 K CB -0.175 32.350 32.500 0.043 0.000 0.713 345 K HN 0.577 nan 8.250 nan 0.000 0.442 346 K N 1.401 121.826 120.400 0.041 0.000 2.057 346 K HA -0.139 4.219 4.320 0.062 0.000 0.207 346 K C 2.031 178.654 176.600 0.039 0.000 1.049 346 K CA 1.088 57.397 56.287 0.037 0.000 0.931 346 K CB -0.057 32.463 32.500 0.033 0.000 0.714 346 K HN 0.052 nan 8.250 nan 0.000 0.440 347 L N 0.995 122.243 121.223 0.040 0.000 2.093 347 L HA -0.154 4.224 4.340 0.062 0.000 0.208 347 L C 2.510 179.408 176.870 0.047 0.000 1.085 347 L CA 0.815 55.676 54.840 0.035 0.000 0.755 347 L CB -0.329 41.744 42.059 0.023 0.000 0.904 347 L HN 0.236 nan 8.230 nan 0.000 0.435 348 L N -0.488 120.764 121.223 0.049 0.000 2.093 348 L HA -0.174 4.203 4.340 0.062 0.000 0.208 348 L C 2.835 179.797 176.870 0.154 0.000 1.085 348 L CA 1.206 56.107 54.840 0.101 0.000 0.755 348 L CB -0.572 41.507 42.059 0.033 0.000 0.904 348 L HN 0.275 nan 8.230 nan 0.000 0.435 349 A N -0.072 122.802 122.820 0.089 0.000 1.902 349 A HA -0.225 4.132 4.320 0.062 0.000 0.217 349 A C 2.051 179.659 177.584 0.040 0.000 1.181 349 A CA 1.550 53.628 52.037 0.067 0.000 0.623 349 A CB -0.395 18.631 19.000 0.044 0.000 0.818 349 A HN 0.441 nan 8.150 nan 0.000 0.443 350 E N -0.243 119.977 120.200 0.034 0.000 2.110 350 E HA -0.087 4.300 4.350 0.062 0.000 0.193 350 E C 2.032 178.632 176.600 0.000 0.000 0.988 350 E CA 0.927 57.335 56.400 0.013 0.000 0.804 350 E CB -0.255 29.455 29.700 0.015 0.000 0.745 350 E HN 0.614 nan 8.360 nan 0.000 0.458 351 A N -0.024 122.817 122.820 0.035 0.000 2.209 351 A HA 0.168 4.525 4.320 0.062 0.000 0.212 351 A C 1.712 179.205 177.584 -0.152 0.000 1.158 351 A CA 1.043 53.088 52.037 0.014 0.000 0.742 351 A CB -0.192 18.898 19.000 0.151 0.000 0.790 351 A HN 0.369 nan 8.150 nan 0.000 0.472 352 G N -2.680 106.014 108.800 -0.177 0.000 2.192 352 G HA2 -0.146 3.851 3.960 0.062 0.000 0.193 352 G HA3 -0.146 3.851 3.960 0.062 0.000 0.193 352 G C -0.126 174.489 174.900 -0.474 0.000 0.999 352 G CA -0.230 44.655 45.100 -0.358 0.000 0.659 352 G HN 0.269 nan 8.290 nan 0.000 0.503 353 F N 2.145 122.069 119.950 -0.044 0.000 2.394 353 F HA 0.683 5.248 4.527 0.062 0.000 0.340 353 F C 1.045 176.831 175.800 -0.023 0.000 1.105 353 F CA 0.368 58.346 58.000 -0.036 0.000 1.124 353 F CB 1.875 40.849 39.000 -0.043 0.000 1.145 353 F HN 0.217 nan 8.300 nan 0.000 0.505 354 T N -1.179 113.465 114.554 0.150 0.000 2.831 354 T HA 0.674 5.062 4.350 0.062 0.000 0.287 354 T C 0.752 175.501 174.700 0.082 0.000 1.070 354 T CA -0.326 61.823 62.100 0.082 0.000 1.010 354 T CB 1.465 70.352 68.868 0.033 0.000 1.264 354 T HN 0.540 nan 8.240 nan 0.000 0.532 355 A N 0.117 122.968 122.820 0.052 0.000 1.930 355 A HA 0.007 4.364 4.320 0.062 0.000 0.217 355 A C 1.918 179.526 177.584 0.041 0.000 1.175 355 A CA 2.091 54.154 52.037 0.043 0.000 0.627 355 A CB -1.202 17.817 19.000 0.030 0.000 0.815 355 A HN 0.930 nan 8.150 nan 0.000 0.443 356 D N -0.814 119.606 120.400 0.035 0.000 2.194 356 D HA -0.017 4.661 4.640 0.062 0.000 0.204 356 D C 0.703 177.026 176.300 0.038 0.000 0.964 356 D CA 0.929 54.946 54.000 0.028 0.000 0.846 356 D CB 0.011 40.820 40.800 0.016 0.000 0.962 356 D HN 0.293 nan 8.370 nan 0.000 0.490 357 K N 1.157 121.589 120.400 0.054 0.000 2.682 357 K HA 0.258 4.616 4.320 0.062 0.000 0.189 357 K C -2.535 174.174 176.600 0.181 0.000 1.062 357 K CA -1.586 54.749 56.287 0.080 0.000 0.997 357 K CB 2.161 34.678 32.500 0.027 0.000 1.405 357 K HN 0.216 nan 8.250 nan 0.000 0.588 358 P HA 0.049 nan 4.420 nan 0.000 0.275 358 P C -0.573 176.823 177.300 0.160 0.000 1.266 358 P CA -0.787 62.405 63.100 0.153 0.000 0.793 358 P CB 0.781 32.517 31.700 0.060 0.000 1.074 359 L N 0.787 121.953 121.223 -0.095 0.000 2.281 359 L HA 0.400 4.777 4.340 0.062 0.000 0.285 359 L C -0.551 176.277 176.870 -0.070 0.000 1.074 359 L CA 0.744 55.370 54.840 -0.356 0.000 0.817 359 L CB -0.152 41.412 42.059 -0.824 0.000 1.168 359 L HN 0.271 nan 8.230 nan 0.000 0.434 360 T N 6.868 121.446 114.554 0.041 0.000 2.879 360 T HA 0.735 5.122 4.350 0.062 0.000 0.290 360 T C -0.906 173.904 174.700 0.184 0.000 0.993 360 T CA -0.126 61.993 62.100 0.031 0.000 0.975 360 T CB 0.794 69.676 68.868 0.024 0.000 0.981 360 T HN 0.494 nan 8.240 nan 0.000 0.439 361 F N -0.331 119.658 119.950 0.065 0.000 2.779 361 F HA 0.709 5.273 4.527 0.062 0.000 0.316 361 F C -1.427 174.441 175.800 0.113 0.000 1.164 361 F CA -1.349 56.732 58.000 0.135 0.000 0.924 361 F CB 0.841 40.028 39.000 0.313 0.000 1.348 361 F HN 0.209 nan 8.300 nan 0.000 0.467 362 D N 1.761 122.376 120.400 0.357 0.000 2.225 362 D HA 0.427 5.104 4.640 0.062 0.000 0.249 362 D C -1.079 175.419 176.300 0.330 0.000 1.052 362 D CA -0.063 54.076 54.000 0.232 0.000 0.909 362 D CB 2.490 43.422 40.800 0.220 0.000 1.186 362 D HN 0.721 nan 8.370 nan 0.000 0.431 363 L N 2.908 124.277 121.223 0.243 0.000 2.377 363 L HA 0.305 4.682 4.340 0.062 0.000 0.270 363 L C -1.446 175.618 176.870 0.322 0.000 0.991 363 L CA -0.885 54.140 54.840 0.307 0.000 0.851 363 L CB 1.089 43.297 42.059 0.247 0.000 1.218 363 L HN 0.153 nan 8.230 nan 0.000 0.420 364 L N 6.242 127.658 121.223 0.321 0.000 2.292 364 L HA 0.534 4.911 4.340 0.062 0.000 0.284 364 L C -0.982 176.111 176.870 0.371 0.000 1.065 364 L CA 0.096 55.101 54.840 0.275 0.000 0.806 364 L CB 0.987 43.171 42.059 0.208 0.000 1.175 364 L HN 0.529 nan 8.230 nan 0.000 0.431 365 Y N 2.791 123.153 120.300 0.104 0.000 2.562 365 Y HA 0.566 5.153 4.550 0.062 0.000 0.345 365 Y C -0.834 174.804 175.900 -0.436 0.000 1.045 365 Y CA -1.593 56.425 58.100 -0.137 0.000 1.028 365 Y CB 0.754 39.209 38.460 -0.009 0.000 1.297 365 Y HN 0.711 nan 8.280 nan 0.000 0.463 366 N N 0.717 118.894 118.700 -0.872 0.000 2.514 366 N HA 0.111 4.888 4.740 0.062 0.000 0.277 366 N C -0.651 174.808 175.510 -0.085 0.000 1.126 366 N CA -0.309 52.358 53.050 -0.638 0.000 0.978 366 N CB 1.245 39.284 38.487 -0.747 0.000 1.106 366 N HN 0.803 nan 8.380 nan 0.000 0.461 367 T N 1.195 115.695 114.554 -0.089 0.000 2.718 367 T HA 0.048 4.435 4.350 0.062 0.000 0.265 367 T C 0.306 175.085 174.700 0.133 0.000 1.014 367 T CA 0.612 62.743 62.100 0.053 0.000 1.172 367 T CB -0.438 68.434 68.868 0.007 0.000 1.007 367 T HN 0.725 nan 8.240 nan 0.000 0.500 368 S N 1.867 117.684 115.700 0.195 0.000 2.606 368 S HA 0.164 4.671 4.470 0.062 0.000 0.290 368 S C 0.243 174.864 174.600 0.035 0.000 1.103 368 S CA -0.857 57.385 58.200 0.070 0.000 0.870 368 S CB 1.167 64.360 63.200 -0.011 0.000 1.077 368 S HN 0.564 nan 8.310 nan 0.000 0.448 369 D N 2.125 122.508 120.400 -0.029 0.000 2.097 369 D HA -0.081 4.597 4.640 0.062 0.000 0.197 369 D C 1.936 178.188 176.300 -0.080 0.000 0.984 369 D CA 1.384 55.364 54.000 -0.034 0.000 0.826 369 D CB -0.081 40.697 40.800 -0.038 0.000 0.973 369 D HN 0.437 nan 8.370 nan 0.000 0.460 370 L N 1.387 122.521 121.223 -0.148 0.000 1.989 370 L HA -0.195 4.182 4.340 0.062 0.000 0.211 370 L C 2.217 179.015 176.870 -0.119 0.000 1.071 370 L CA 1.897 56.630 54.840 -0.179 0.000 0.749 370 L CB -0.770 41.132 42.059 -0.263 0.000 0.890 370 L HN 0.070 nan 8.230 nan 0.000 0.431 371 H N -0.242 118.845 119.070 0.028 0.000 2.389 371 H HA -0.127 4.466 4.556 0.062 0.000 0.299 371 H C 2.190 177.311 175.328 -0.345 0.000 1.081 371 H CA 1.532 57.574 56.048 -0.010 0.000 1.345 371 H CB -0.229 29.597 29.762 0.105 0.000 1.393 371 H HN 0.457 nan 8.280 nan 0.000 0.520 372 K N 1.518 121.741 120.400 -0.294 0.000 2.002 372 K HA -0.130 4.227 4.320 0.062 0.000 0.209 372 K C 2.043 178.487 176.600 -0.261 0.000 1.048 372 K CA 1.210 57.194 56.287 -0.504 0.000 0.930 372 K CB 0.137 32.561 32.500 -0.127 0.000 0.714 372 K HN 0.114 nan 8.250 nan 0.000 0.438 373 K N 0.610 120.928 120.400 -0.136 0.000 2.032 373 K HA -0.137 4.220 4.320 0.062 0.000 0.209 373 K C 2.208 178.751 176.600 -0.094 0.000 1.048 373 K CA 1.628 57.857 56.287 -0.096 0.000 0.927 373 K CB -0.204 32.252 32.500 -0.074 0.000 0.712 373 K HN 0.192 nan 8.250 nan 0.000 0.441 374 L N 0.288 121.467 121.223 -0.073 0.000 2.083 374 L HA -0.173 4.204 4.340 0.062 0.000 0.209 374 L C 2.548 179.400 176.870 -0.030 0.000 1.083 374 L CA 1.083 55.902 54.840 -0.035 0.000 0.752 374 L CB -0.531 41.540 42.059 0.020 0.000 0.899 374 L HN 0.213 nan 8.230 nan 0.000 0.433 375 A N 0.043 122.813 122.820 -0.083 0.000 1.968 375 A HA -0.082 4.275 4.320 0.062 0.000 0.217 375 A C 2.199 179.700 177.584 -0.138 0.000 1.169 375 A CA 1.004 52.976 52.037 -0.108 0.000 0.638 375 A CB -0.473 18.408 19.000 -0.198 0.000 0.812 375 A HN 0.326 nan 8.150 nan 0.000 0.446 376 I N -0.183 120.308 120.570 -0.132 0.000 2.226 376 I HA -0.270 3.937 4.170 0.062 0.000 0.245 376 I C 2.960 179.020 176.117 -0.096 0.000 1.100 376 I CA 1.025 62.270 61.300 -0.092 0.000 1.374 376 I CB -0.289 37.669 38.000 -0.072 0.000 1.057 376 I HN 0.350 nan 8.210 nan 0.000 0.413 377 A N 0.382 123.140 122.820 -0.103 0.000 1.877 377 A HA -0.154 4.203 4.320 0.062 0.000 0.216 377 A C 2.436 179.919 177.584 -0.167 0.000 1.186 377 A CA 1.784 53.756 52.037 -0.108 0.000 0.620 377 A CB -0.983 17.960 19.000 -0.095 0.000 0.822 377 A HN 0.230 nan 8.150 nan 0.000 0.443 378 V N -0.131 119.635 119.914 -0.246 0.000 2.343 378 V HA -0.244 3.913 4.120 0.062 0.000 0.247 378 V C 3.065 178.892 176.094 -0.445 0.000 1.051 378 V CA 1.910 63.914 62.300 -0.493 0.000 1.036 378 V CB -1.234 30.163 31.823 -0.710 0.000 0.654 378 V HN 0.626 nan 8.190 nan 0.000 0.451 379 A N -0.705 121.974 122.820 -0.235 0.000 1.908 379 A HA -0.264 4.093 4.320 0.062 0.000 0.218 379 A C 2.568 180.136 177.584 -0.027 0.000 1.181 379 A CA 2.392 54.386 52.037 -0.070 0.000 0.627 379 A CB -0.837 18.131 19.000 -0.053 0.000 0.818 379 A HN 0.489 nan 8.150 nan 0.000 0.445 380 S N -0.493 115.172 115.700 -0.058 0.000 2.356 380 S HA -0.121 4.386 4.470 0.062 0.000 0.223 380 S C 1.915 176.508 174.600 -0.012 0.000 1.032 380 S CA 1.435 59.618 58.200 -0.028 0.000 1.005 380 S CB -0.526 62.650 63.200 -0.039 0.000 0.867 380 S HN 0.479 nan 8.310 nan 0.000 0.449 381 I N 0.051 120.583 120.570 -0.062 0.000 2.179 381 I HA -0.184 4.024 4.170 0.062 0.000 0.242 381 I C 2.188 178.351 176.117 0.076 0.000 1.088 381 I CA 1.152 62.427 61.300 -0.041 0.000 1.357 381 I CB -0.379 37.537 38.000 -0.140 0.000 1.051 381 I HN 0.428 nan 8.210 nan 0.000 0.409 382 W N 1.411 122.701 121.300 -0.017 0.000 2.402 382 W HA -0.150 4.548 4.660 0.062 0.000 0.286 382 W C 2.651 179.160 176.519 -0.018 0.000 1.221 382 W CA 0.946 58.286 57.345 -0.010 0.000 1.257 382 W CB -0.723 28.730 29.460 -0.012 0.000 1.120 382 W HN 0.103 nan 8.180 nan 0.000 0.551 383 K N 1.355 121.866 120.400 0.185 0.000 2.001 383 K HA -0.197 4.161 4.320 0.062 0.000 0.208 383 K C 2.001 178.647 176.600 0.077 0.000 1.048 383 K CA 2.067 58.409 56.287 0.092 0.000 0.932 383 K CB -0.659 31.869 32.500 0.047 0.000 0.715 383 K HN -0.007 nan 8.250 nan 0.000 0.437 384 K N -0.448 119.995 120.400 0.071 0.000 2.097 384 K HA -0.072 4.286 4.320 0.062 0.000 0.205 384 K C 1.287 177.930 176.600 0.072 0.000 1.050 384 K CA 1.544 57.865 56.287 0.057 0.000 0.938 384 K CB -0.042 32.482 32.500 0.041 0.000 0.718 384 K HN 0.121 nan 8.250 nan 0.000 0.442 385 N N 0.113 118.876 118.700 0.105 0.000 2.395 385 N HA -0.040 4.737 4.740 0.062 0.000 0.175 385 N C 1.048 176.624 175.510 0.111 0.000 1.029 385 N CA 0.655 53.773 53.050 0.114 0.000 0.897 385 N CB 0.313 38.889 38.487 0.149 0.000 0.991 385 N HN 0.158 nan 8.380 nan 0.000 0.441 386 L N -1.278 120.016 121.223 0.118 0.000 3.086 386 L HA 0.422 4.799 4.340 0.062 0.000 0.274 386 L C 0.719 177.611 176.870 0.037 0.000 1.184 386 L CA 0.425 55.307 54.840 0.069 0.000 1.002 386 L CB 0.121 42.213 42.059 0.055 0.000 1.383 386 L HN 0.195 nan 8.230 nan 0.000 0.582 387 G N 0.641 109.470 108.800 0.049 0.000 2.160 387 G HA2 -0.216 3.782 3.960 0.062 0.000 0.251 387 G HA3 -0.216 3.782 3.960 0.062 0.000 0.251 387 G C 0.208 175.111 174.900 0.003 0.000 1.008 387 G CA 0.505 45.622 45.100 0.028 0.000 0.724 387 G HN 0.830 nan 8.290 nan 0.000 0.514 388 V N -2.625 117.289 119.914 0.000 0.000 2.612 388 V HA 0.802 4.959 4.120 0.062 0.000 0.301 388 V C -0.053 176.002 176.094 -0.065 0.000 1.046 388 V CA -1.657 60.612 62.300 -0.051 0.000 0.946 388 V CB 1.869 33.650 31.823 -0.070 0.000 1.003 388 V HN 0.182 nan 8.190 nan 0.000 0.459 389 N N 2.881 121.507 118.700 -0.122 0.000 2.419 389 N HA 0.598 5.375 4.740 0.062 0.000 0.277 389 N C -0.525 174.802 175.510 -0.304 0.000 1.006 389 N CA -0.220 52.749 53.050 -0.136 0.000 0.923 389 N CB 1.953 40.394 38.487 -0.077 0.000 1.140 389 N HN 0.984 nan 8.380 nan 0.000 0.488 390 V N 0.087 119.836 119.914 -0.275 0.000 2.680 390 V HA 0.587 4.745 4.120 0.062 0.000 0.309 390 V C -0.458 175.540 176.094 -0.159 0.000 1.052 390 V CA -0.974 61.081 62.300 -0.408 0.000 0.908 390 V CB 2.166 33.719 31.823 -0.450 0.000 1.001 390 V HN 0.422 nan 8.190 nan 0.000 0.431 391 N N 3.521 122.158 118.700 -0.104 0.000 2.469 391 N HA 0.495 5.272 4.740 0.062 0.000 0.253 391 N C -0.854 174.691 175.510 0.059 0.000 0.970 391 N CA -0.271 52.776 53.050 -0.004 0.000 0.940 391 N CB 1.713 40.211 38.487 0.019 0.000 1.128 391 N HN 0.626 nan 8.380 nan 0.000 0.503 392 L N 2.136 123.414 121.223 0.091 0.000 2.416 392 L HA 0.161 4.538 4.340 0.062 0.000 0.272 392 L C 0.589 177.566 176.870 0.179 0.000 1.161 392 L CA 0.636 55.590 54.840 0.189 0.000 0.845 392 L CB 0.244 42.441 42.059 0.230 0.000 1.119 392 L HN 0.403 nan 8.230 nan 0.000 0.464 393 E N 2.875 123.185 120.200 0.182 0.000 2.263 393 E HA 0.308 4.695 4.350 0.062 0.000 0.268 393 E C -1.165 175.281 176.600 -0.257 0.000 0.884 393 E CA -0.817 55.597 56.400 0.023 0.000 0.766 393 E CB 1.560 31.288 29.700 0.046 0.000 1.196 393 E HN 0.569 nan 8.360 nan 0.000 0.416 394 N N 2.742 121.204 118.700 -0.398 0.000 2.456 394 N HA 0.291 5.068 4.740 0.062 0.000 0.296 394 N C -0.626 174.690 175.510 -0.323 0.000 1.102 394 N CA -0.590 52.011 53.050 -0.749 0.000 0.924 394 N CB 1.960 40.067 38.487 -0.633 0.000 1.186 394 N HN 0.433 nan 8.380 nan 0.000 0.492 395 Q N 0.002 119.641 119.800 -0.269 0.000 2.389 395 Q HA 0.258 4.636 4.340 0.062 0.000 0.277 395 Q C -1.037 174.938 176.000 -0.042 0.000 1.082 395 Q CA -0.858 54.899 55.803 -0.078 0.000 0.810 395 Q CB 2.250 31.011 28.738 0.039 0.000 1.374 395 Q HN 0.516 nan 8.270 nan 0.000 0.422 396 E N 1.031 121.245 120.200 0.023 0.000 2.404 396 E HA -0.099 4.289 4.350 0.062 0.000 0.261 396 E C 0.437 177.150 176.600 0.189 0.000 1.074 396 E CA 0.104 56.553 56.400 0.082 0.000 0.917 396 E CB 0.443 30.190 29.700 0.079 0.000 0.965 396 E HN 0.715 nan 8.360 nan 0.000 0.433 397 W N 3.612 124.915 121.300 0.005 0.000 2.290 397 W HA -0.373 4.325 4.660 0.063 0.000 0.328 397 W C 1.784 178.390 176.519 0.145 0.000 1.272 397 W CA 2.177 59.570 57.345 0.080 0.000 1.262 397 W CB -0.019 29.459 29.460 0.030 0.000 1.151 397 W HN 0.561 nan 8.180 nan 0.000 0.473 398 K N -0.514 119.969 120.400 0.139 0.000 2.063 398 K HA -0.181 4.176 4.320 0.062 0.000 0.208 398 K C 1.956 178.530 176.600 -0.044 0.000 1.048 398 K CA 2.239 58.509 56.287 -0.028 0.000 0.928 398 K CB -0.416 32.125 32.500 0.069 0.000 0.713 398 K HN 0.052 nan 8.250 nan 0.000 0.442 399 T N 0.888 115.457 114.554 0.025 0.000 2.777 399 T HA -0.141 4.247 4.350 0.062 0.000 0.266 399 T C 1.369 176.067 174.700 -0.002 0.000 1.040 399 T CA 1.282 63.390 62.100 0.014 0.000 1.141 399 T CB -0.402 68.489 68.868 0.039 0.000 0.868 399 T HN 0.294 nan 8.240 nan 0.000 0.444 400 F N 2.124 121.985 119.950 -0.148 0.000 2.091 400 F HA -0.122 4.441 4.527 0.061 0.000 0.299 400 F C 1.875 177.493 175.800 -0.302 0.000 1.103 400 F CA 1.274 59.148 58.000 -0.210 0.000 1.228 400 F CB -0.621 38.276 39.000 -0.173 0.000 0.984 400 F HN 0.064 nan 8.300 nan 0.000 0.477 401 L N -0.321 120.625 121.223 -0.461 0.000 2.093 401 L HA -0.191 4.186 4.340 0.062 0.000 0.208 401 L C 2.192 178.897 176.870 -0.275 0.000 1.085 401 L CA 1.360 55.868 54.840 -0.552 0.000 0.755 401 L CB -0.922 40.829 42.059 -0.513 0.000 0.904 401 L HN 0.069 nan 8.230 nan 0.000 0.435 402 D N -0.293 120.011 120.400 -0.160 0.000 2.117 402 D HA -0.152 4.525 4.640 0.062 0.000 0.197 402 D C 2.204 178.462 176.300 -0.071 0.000 0.987 402 D CA 1.599 55.565 54.000 -0.056 0.000 0.829 402 D CB -0.173 40.601 40.800 -0.043 0.000 0.961 402 D HN 0.195 nan 8.370 nan 0.000 0.460 403 T N 0.575 115.043 114.554 -0.144 0.000 2.720 403 T HA -0.136 4.251 4.350 0.062 0.000 0.268 403 T C 2.010 176.596 174.700 -0.190 0.000 1.037 403 T CA 1.075 63.096 62.100 -0.131 0.000 1.144 403 T CB -0.042 68.739 68.868 -0.147 0.000 0.864 403 T HN 0.152 nan 8.240 nan 0.000 0.444 404 R N -0.048 120.161 120.500 -0.486 0.000 2.075 404 R HA -0.041 4.336 4.340 0.062 0.000 0.232 404 R C 2.487 178.687 176.300 -0.167 0.000 1.126 404 R CA 1.101 56.834 56.100 -0.612 0.000 0.963 404 R CB -0.302 29.426 30.300 -0.953 0.000 0.858 404 R HN 0.497 nan 8.270 nan 0.000 0.435 405 H N 0.672 119.680 119.070 -0.104 0.000 2.423 405 H HA -0.073 4.520 4.556 0.062 0.000 0.297 405 H C 1.909 177.307 175.328 0.117 0.000 1.075 405 H CA 1.275 57.325 56.048 0.004 0.000 1.342 405 H CB 0.183 29.907 29.762 -0.063 0.000 1.395 405 H HN 0.354 nan 8.280 nan 0.000 0.530 406 Q N -0.163 119.741 119.800 0.173 0.000 2.224 406 Q HA -0.000 4.377 4.340 0.062 0.000 0.203 406 Q C 0.984 177.048 176.000 0.108 0.000 0.970 406 Q CA 0.587 56.464 55.803 0.123 0.000 0.865 406 Q CB 0.255 29.035 28.738 0.070 0.000 0.922 406 Q HN 0.556 nan 8.270 nan 0.000 0.445 407 G N 1.369 110.293 108.800 0.207 0.000 2.350 407 G HA2 -0.276 3.721 3.960 0.062 0.000 0.298 407 G HA3 -0.276 3.721 3.960 0.062 0.000 0.298 407 G C 0.414 175.156 174.900 -0.262 0.000 1.037 407 G CA 0.705 45.776 45.100 -0.050 0.000 1.074 407 G HN 0.458 nan 8.290 nan 0.000 0.511 408 T N -2.955 111.556 114.554 -0.070 0.000 3.130 408 T HA 0.453 4.840 4.350 0.062 0.000 0.288 408 T C 1.004 175.661 174.700 -0.072 0.000 0.936 408 T CA 0.446 62.479 62.100 -0.112 0.000 0.897 408 T CB -0.014 68.832 68.868 -0.037 0.000 1.178 408 T HN 1.333 nan 8.240 nan 0.000 0.543 409 F N 2.337 122.250 119.950 -0.061 0.000 2.514 409 F HA 0.579 5.144 4.527 0.063 0.000 0.309 409 F C 0.755 176.520 175.800 -0.058 0.000 1.279 409 F CA -0.496 57.481 58.000 -0.039 0.000 1.304 409 F CB 0.049 39.017 39.000 -0.054 0.000 1.223 409 F HN -0.241 nan 8.300 nan 0.000 0.563 410 D N -0.289 120.101 120.400 -0.017 0.000 3.032 410 D HA 0.200 4.877 4.640 0.062 0.000 0.280 410 D C -0.301 175.693 176.300 -0.511 0.000 1.381 410 D CA 0.864 54.664 54.000 -0.333 0.000 1.068 410 D CB 0.116 40.908 40.800 -0.012 0.000 1.148 410 D HN 0.254 nan 8.370 nan 0.000 0.401 411 V N 0.591 120.484 119.914 -0.034 0.000 2.656 411 V HA 0.742 4.899 4.120 0.062 0.000 0.307 411 V C -0.728 175.594 176.094 0.379 0.000 1.051 411 V CA -0.883 61.476 62.300 0.098 0.000 0.893 411 V CB 1.784 33.639 31.823 0.054 0.000 0.999 411 V HN 0.330 nan 8.190 nan 0.000 0.426 412 A N 4.141 127.166 122.820 0.340 0.000 2.386 412 A HA 0.789 5.146 4.320 0.062 0.000 0.311 412 A C -0.253 177.444 177.584 0.188 0.000 1.068 412 A CA -0.785 51.363 52.037 0.185 0.000 0.743 412 A CB 1.587 20.409 19.000 -0.296 0.000 1.258 412 A HN 0.752 nan 8.150 nan 0.000 0.429 413 R N 1.107 121.752 120.500 0.242 0.000 2.623 413 R HA 0.463 4.841 4.340 0.062 0.000 0.271 413 R C -0.366 175.737 176.300 -0.327 0.000 1.043 413 R CA 1.091 57.125 56.100 -0.111 0.000 1.083 413 R CB 0.421 30.717 30.300 -0.006 0.000 0.974 413 R HN 1.265 nan 8.270 nan 0.000 0.436 414 A N 1.733 124.076 122.820 -0.794 0.000 2.612 414 A HA 0.675 5.033 4.320 0.062 0.000 0.293 414 A C -1.093 175.986 177.584 -0.841 0.000 1.075 414 A CA -0.141 51.415 52.037 -0.802 0.000 0.680 414 A CB 1.987 20.227 19.000 -1.266 0.000 1.279 414 A HN 0.799 nan 8.150 nan 0.000 0.411 415 G N -0.051 108.575 108.800 -0.291 0.000 2.734 415 G HA2 0.519 4.516 3.960 0.062 0.000 0.293 415 G HA3 0.519 4.516 3.960 0.062 0.000 0.293 415 G C -1.365 173.716 174.900 0.301 0.000 1.422 415 G CA -0.203 44.962 45.100 0.108 0.000 1.177 415 G HN 0.955 nan 8.290 nan 0.000 0.565 416 W N 3.077 124.521 121.300 0.239 0.000 2.587 416 W HA 0.581 5.280 4.660 0.065 0.000 0.324 416 W C -1.175 175.173 176.519 -0.285 0.000 1.040 416 W CA -0.830 56.478 57.345 -0.062 0.000 1.222 416 W CB 1.953 31.314 29.460 -0.165 0.000 1.381 416 W HN 0.507 nan 8.180 nan 0.000 0.483 417 c N 4.315 122.361 118.600 -0.923 0.000 2.411 417 c HA 0.653 5.260 4.570 0.062 0.000 0.330 417 c C 0.832 174.385 174.090 -0.895 0.000 1.224 417 c CA -0.531 55.359 56.329 -0.732 0.000 1.770 417 c CB 0.624 42.767 42.510 -0.611 0.000 2.297 417 c HN 0.707 nan 8.230 nan 0.000 0.507 418 A N 2.304 124.867 122.820 -0.428 0.000 2.531 418 A HA 0.156 4.513 4.320 0.062 0.000 0.236 418 A C 0.871 178.323 177.584 -0.219 0.000 1.062 418 A CA 0.425 52.302 52.037 -0.266 0.000 0.760 418 A CB 0.196 19.186 19.000 -0.018 0.000 0.995 418 A HN 0.933 nan 8.150 nan 0.000 0.501 419 D N -0.593 119.731 120.400 -0.126 0.000 2.338 419 D HA 0.149 4.826 4.640 0.062 0.000 0.208 419 D C -0.228 176.225 176.300 0.254 0.000 0.997 419 D CA 1.490 55.551 54.000 0.101 0.000 0.880 419 D CB 0.154 41.070 40.800 0.193 0.000 0.980 419 D HN 0.692 nan 8.370 nan 0.000 0.509 420 Y N -1.441 118.900 120.300 0.069 0.000 2.571 420 Y HA 0.482 5.067 4.550 0.059 0.000 0.341 420 Y C -0.654 175.245 175.900 -0.002 0.000 1.076 420 Y CA -1.598 56.521 58.100 0.031 0.000 1.029 420 Y CB 0.452 38.917 38.460 0.009 0.000 1.308 420 Y HN -0.403 nan 8.280 nan 0.000 0.461 421 N N 3.066 121.802 118.700 0.059 0.000 2.605 421 N HA 0.207 4.984 4.740 0.062 0.000 0.258 421 N C -1.146 174.313 175.510 -0.084 0.000 1.156 421 N CA 0.444 53.473 53.050 -0.036 0.000 1.008 421 N CB -0.191 38.313 38.487 0.029 0.000 1.354 421 N HN 0.768 nan 8.380 nan 0.000 0.509 422 E N 2.802 122.854 120.200 -0.246 0.000 2.422 422 E HA 0.193 4.581 4.350 0.062 0.000 0.289 422 E C -2.415 173.907 176.600 -0.463 0.000 0.985 422 E CA -1.323 54.887 56.400 -0.316 0.000 0.812 422 E CB 1.687 31.196 29.700 -0.319 0.000 1.226 422 E HN 0.102 nan 8.360 nan 0.000 0.419 423 P HA -0.144 nan 4.420 nan 0.000 0.218 423 P C 1.191 178.119 177.300 -0.620 0.000 1.146 423 P CA 2.082 64.800 63.100 -0.638 0.000 0.813 423 P CB 0.137 31.286 31.700 -0.919 0.000 0.778 424 T N -4.509 109.643 114.554 -0.670 0.000 2.962 424 T HA -0.108 4.279 4.350 0.062 0.000 0.270 424 T C 1.976 176.460 174.700 -0.360 0.000 1.088 424 T CA 1.284 63.154 62.100 -0.384 0.000 1.127 424 T CB -1.178 67.619 68.868 -0.118 0.000 0.883 424 T HN 0.001 nan 8.240 nan 0.000 0.493 425 S N -0.175 115.170 115.700 -0.592 0.000 2.419 425 S HA -0.011 4.496 4.470 0.062 0.000 0.235 425 S C 1.328 175.784 174.600 -0.240 0.000 1.019 425 S CA 0.717 58.543 58.200 -0.623 0.000 0.982 425 S CB -0.588 61.954 63.200 -1.097 0.000 0.789 425 S HN 0.567 nan 8.310 nan 0.000 0.490 426 F N 0.822 120.541 119.950 -0.385 0.000 2.188 426 F HA 0.330 4.893 4.527 0.059 0.000 0.289 426 F C 1.942 177.510 175.800 -0.386 0.000 1.082 426 F CA 0.566 58.253 58.000 -0.522 0.000 1.282 426 F CB -0.428 38.163 39.000 -0.681 0.000 1.060 426 F HN 0.103 nan 8.300 nan 0.000 0.493 427 L N 0.042 121.229 121.223 -0.061 0.000 2.131 427 L HA -0.221 4.156 4.340 0.062 0.000 0.210 427 L C 1.840 178.766 176.870 0.093 0.000 1.092 427 L CA 0.847 55.759 54.840 0.120 0.000 0.759 427 L CB -0.646 41.447 42.059 0.057 0.000 0.903 427 L HN 0.138 nan 8.230 nan 0.000 0.435 428 N N -0.485 118.101 118.700 -0.191 0.000 2.381 428 N HA -0.138 4.639 4.740 0.062 0.000 0.182 428 N C 1.905 177.269 175.510 -0.244 0.000 1.025 428 N CA 1.690 54.548 53.050 -0.320 0.000 0.888 428 N CB -0.347 37.532 38.487 -1.014 0.000 0.965 428 N HN 0.456 nan 8.380 nan 0.000 0.438 429 T N -2.387 111.987 114.554 -0.299 0.000 3.035 429 T HA 0.041 4.428 4.350 0.062 0.000 0.268 429 T C 1.434 176.021 174.700 -0.188 0.000 1.109 429 T CA 0.608 62.529 62.100 -0.299 0.000 1.119 429 T CB 0.017 68.440 68.868 -0.742 0.000 0.900 429 T HN -0.026 nan 8.240 nan 0.000 0.503 430 M N 0.785 120.326 119.600 -0.097 0.000 2.428 430 M HA 0.422 4.940 4.480 0.062 0.000 0.239 430 M C 0.254 176.590 176.300 0.060 0.000 1.121 430 M CA -0.163 55.045 55.300 -0.155 0.000 1.019 430 M CB -0.555 31.725 32.600 -0.534 0.000 1.485 430 M HN 0.295 nan 8.290 nan 0.000 0.484 431 L N 0.111 121.461 121.223 0.213 0.000 2.485 431 L HA 0.030 4.407 4.340 0.062 0.000 0.275 431 L C 1.771 178.709 176.870 0.112 0.000 1.207 431 L CA -0.303 54.688 54.840 0.252 0.000 0.855 431 L CB 0.369 42.557 42.059 0.215 0.000 1.114 431 L HN 0.182 nan 8.230 nan 0.000 0.485 432 S N 1.031 116.779 115.700 0.079 0.000 2.372 432 S HA -0.195 4.312 4.470 0.062 0.000 0.227 432 S C 1.118 175.728 174.600 0.017 0.000 1.044 432 S CA 1.908 60.113 58.200 0.008 0.000 1.050 432 S CB -0.265 62.933 63.200 -0.003 0.000 0.901 432 S HN 0.913 nan 8.310 nan 0.000 0.447 433 D N 0.532 120.957 120.400 0.042 0.000 2.358 433 D HA 0.154 4.831 4.640 0.062 0.000 0.224 433 D C 0.254 176.578 176.300 0.041 0.000 1.123 433 D CA -0.061 53.960 54.000 0.035 0.000 0.833 433 D CB -0.306 40.517 40.800 0.040 0.000 0.946 433 D HN 0.157 nan 8.370 nan 0.000 0.505 434 S N 0.314 116.048 115.700 0.055 0.000 2.549 434 S HA 0.130 4.637 4.470 0.062 0.000 0.279 434 S C 1.566 176.172 174.600 0.010 0.000 1.321 434 S CA 0.045 58.289 58.200 0.073 0.000 1.054 434 S CB 0.887 64.155 63.200 0.113 0.000 0.899 434 S HN 0.283 nan 8.310 nan 0.000 0.497 435 S N 3.852 119.546 115.700 -0.010 0.000 2.469 435 S HA -0.097 4.410 4.470 0.062 0.000 0.238 435 S C 0.896 175.491 174.600 -0.009 0.000 0.998 435 S CA 1.223 59.404 58.200 -0.030 0.000 0.957 435 S CB -0.650 62.507 63.200 -0.071 0.000 0.764 435 S HN 0.858 nan 8.310 nan 0.000 0.514 436 N N 1.542 120.216 118.700 -0.045 0.000 2.270 436 N HA 0.161 4.938 4.740 0.062 0.000 0.198 436 N C -0.096 175.306 175.510 -0.180 0.000 1.117 436 N CA -0.105 52.888 53.050 -0.096 0.000 0.845 436 N CB 0.022 38.398 38.487 -0.185 0.000 0.980 436 N HN 0.235 nan 8.380 nan 0.000 0.486 437 N N 1.217 119.820 118.700 -0.162 0.000 2.663 437 N HA 0.018 4.795 4.740 0.062 0.000 0.250 437 N C 0.408 175.678 175.510 -0.401 0.000 1.129 437 N CA 0.130 53.039 53.050 -0.236 0.000 0.995 437 N CB 0.292 38.684 38.487 -0.158 0.000 1.324 437 N HN 0.180 nan 8.380 nan 0.000 0.512 438 T N -1.311 113.008 114.554 -0.393 0.000 3.129 438 T HA 0.162 4.549 4.350 0.062 0.000 0.251 438 T C 1.538 176.128 174.700 -0.184 0.000 1.117 438 T CA 0.268 62.095 62.100 -0.454 0.000 1.034 438 T CB 0.215 68.815 68.868 -0.448 0.000 0.968 438 T HN 0.270 nan 8.240 nan 0.000 0.526 439 A N 1.255 123.983 122.820 -0.153 0.000 2.119 439 A HA 0.032 4.389 4.320 0.062 0.000 0.216 439 A C 0.943 178.573 177.584 0.076 0.000 1.152 439 A CA 0.364 52.398 52.037 -0.005 0.000 0.708 439 A CB -0.829 18.104 19.000 -0.112 0.000 0.805 439 A HN 0.731 nan 8.150 nan 0.000 0.460 440 H N -3.029 116.037 119.070 -0.007 0.000 2.770 440 H HA -0.229 4.365 4.556 0.063 0.000 0.309 440 H C -0.548 174.783 175.328 0.006 0.000 1.206 440 H CA 1.138 57.178 56.048 -0.014 0.000 1.147 440 H CB -1.990 27.746 29.762 -0.043 0.000 1.422 440 H HN 0.701 nan 8.280 nan 0.000 0.420 441 Y N 1.383 121.627 120.300 -0.093 0.000 2.313 441 Y HA 0.403 4.990 4.550 0.062 0.000 0.332 441 Y C -0.130 175.707 175.900 -0.106 0.000 1.071 441 Y CA -0.464 57.561 58.100 -0.125 0.000 1.169 441 Y CB 0.894 39.216 38.460 -0.230 0.000 1.192 441 Y HN 0.053 nan 8.280 nan 0.000 0.487 442 K N 5.051 125.123 120.400 -0.546 0.000 2.664 442 K HA 0.283 4.640 4.320 0.062 0.000 0.234 442 K C -1.316 174.965 176.600 -0.532 0.000 0.980 442 K CA -0.485 55.549 56.287 -0.422 0.000 0.996 442 K CB 1.429 33.820 32.500 -0.181 0.000 1.190 442 K HN 0.547 nan 8.250 nan 0.000 0.479 443 S N 3.240 118.593 115.700 -0.579 0.000 2.707 443 S HA 0.370 4.877 4.470 0.062 0.000 0.312 443 S C -2.156 172.412 174.600 -0.054 0.000 1.116 443 S CA -1.806 56.199 58.200 -0.325 0.000 1.078 443 S CB 1.116 64.118 63.200 -0.331 0.000 0.997 443 S HN 0.204 nan 8.310 nan 0.000 0.477 444 P HA -0.045 nan 4.420 nan 0.000 0.216 444 P C 1.399 178.727 177.300 0.046 0.000 1.150 444 P CA 1.392 64.499 63.100 0.012 0.000 0.837 444 P CB 0.134 31.833 31.700 -0.003 0.000 0.786 445 A N -1.252 121.605 122.820 0.060 0.000 1.898 445 A HA -0.191 4.167 4.320 0.062 0.000 0.216 445 A C 2.107 179.760 177.584 0.115 0.000 1.181 445 A CA 1.305 53.389 52.037 0.078 0.000 0.620 445 A CB -1.795 17.256 19.000 0.086 0.000 0.819 445 A HN 0.170 nan 8.150 nan 0.000 0.442 446 F N 1.208 121.184 119.950 0.043 0.000 2.113 446 F HA -0.165 4.398 4.527 0.061 0.000 0.297 446 F C 1.749 177.591 175.800 0.070 0.000 1.103 446 F CA 2.045 60.100 58.000 0.091 0.000 1.248 446 F CB -0.160 38.953 39.000 0.189 0.000 0.999 446 F HN 0.219 nan 8.300 nan 0.000 0.475 447 D N 0.485 120.988 120.400 0.172 0.000 2.123 447 D HA -0.208 4.470 4.640 0.062 0.000 0.196 447 D C 2.105 178.390 176.300 -0.026 0.000 0.992 447 D CA 1.465 55.510 54.000 0.075 0.000 0.833 447 D CB -0.378 40.486 40.800 0.106 0.000 0.954 447 D HN 0.197 nan 8.370 nan 0.000 0.455 448 K N 0.842 121.234 120.400 -0.013 0.000 2.057 448 K HA -0.049 4.308 4.320 0.062 0.000 0.207 448 K C 2.130 178.694 176.600 -0.060 0.000 1.049 448 K CA 0.800 57.074 56.287 -0.022 0.000 0.931 448 K CB -0.600 31.897 32.500 -0.004 0.000 0.714 448 K HN 0.114 nan 8.250 nan 0.000 0.440 449 L N 0.379 121.539 121.223 -0.104 0.000 2.013 449 L HA -0.210 4.167 4.340 0.062 0.000 0.212 449 L C 2.243 179.029 176.870 -0.140 0.000 1.073 449 L CA 0.971 55.734 54.840 -0.128 0.000 0.753 449 L CB -0.502 41.461 42.059 -0.161 0.000 0.890 449 L HN 0.206 nan 8.230 nan 0.000 0.432 450 I N -0.061 120.378 120.570 -0.217 0.000 2.252 450 I HA -0.208 3.999 4.170 0.062 0.000 0.245 450 I C 2.854 178.972 176.117 0.001 0.000 1.102 450 I CA 1.473 62.709 61.300 -0.106 0.000 1.385 450 I CB -1.636 36.259 38.000 -0.174 0.000 1.064 450 I HN 0.179 nan 8.210 nan 0.000 0.414 451 A N 0.817 123.636 122.820 -0.003 0.000 1.917 451 A HA -0.244 4.113 4.320 0.062 0.000 0.219 451 A C 1.937 179.519 177.584 -0.003 0.000 1.182 451 A CA 2.135 54.186 52.037 0.023 0.000 0.633 451 A CB -0.703 18.308 19.000 0.019 0.000 0.819 451 A HN 0.356 nan 8.150 nan 0.000 0.448 452 D N -0.548 119.839 120.400 -0.022 0.000 2.263 452 D HA -0.101 4.577 4.640 0.062 0.000 0.208 452 D C 2.223 178.497 176.300 -0.042 0.000 0.971 452 D CA 1.716 55.695 54.000 -0.034 0.000 0.867 452 D CB -0.527 40.247 40.800 -0.044 0.000 0.929 452 D HN 0.675 nan 8.370 nan 0.000 0.492 453 T N -1.609 112.926 114.554 -0.032 0.000 2.929 453 T HA -0.084 4.303 4.350 0.062 0.000 0.271 453 T C 1.782 176.485 174.700 0.006 0.000 1.085 453 T CA 0.637 62.708 62.100 -0.048 0.000 1.125 453 T CB -0.222 68.646 68.868 0.000 0.000 0.874 453 T HN 0.162 nan 8.240 nan 0.000 0.494 454 L N -0.640 120.589 121.223 0.010 0.000 2.700 454 L HA 0.395 4.772 4.340 0.062 0.000 0.234 454 L C 2.015 178.865 176.870 -0.033 0.000 1.156 454 L CA 0.043 54.877 54.840 -0.011 0.000 0.946 454 L CB 0.116 42.132 42.059 -0.071 0.000 1.216 454 L HN 0.142 nan 8.230 nan 0.000 0.493 455 K N -0.079 120.303 120.400 -0.030 0.000 2.367 455 K HA 0.112 4.469 4.320 0.062 0.000 0.194 455 K C 0.295 176.884 176.600 -0.018 0.000 1.027 455 K CA 0.042 56.314 56.287 -0.026 0.000 1.075 455 K CB 0.824 33.308 32.500 -0.027 0.000 0.845 455 K HN 0.155 nan 8.250 nan 0.000 0.529 456 V N -2.835 117.066 119.914 -0.022 0.000 2.850 456 V HA 0.720 4.878 4.120 0.062 0.000 0.315 456 V C -0.094 175.997 176.094 -0.005 0.000 1.064 456 V CA -0.952 61.337 62.300 -0.019 0.000 0.979 456 V CB 1.667 33.468 31.823 -0.037 0.000 1.039 456 V HN -0.079 nan 8.190 nan 0.000 0.452 457 A N 2.005 124.828 122.820 0.006 0.000 2.911 457 A HA 0.588 4.945 4.320 0.062 0.000 0.304 457 A C -0.071 177.524 177.584 0.020 0.000 1.144 457 A CA 0.065 52.116 52.037 0.023 0.000 0.988 457 A CB -0.794 18.233 19.000 0.045 0.000 1.141 457 A HN 1.020 nan 8.150 nan 0.000 0.552 458 D N -0.703 119.699 120.400 0.002 0.000 2.936 458 D HA 0.191 4.868 4.640 0.062 0.000 0.238 458 D C -0.324 175.968 176.300 -0.014 0.000 1.248 458 D CA -0.361 53.639 54.000 0.001 0.000 0.903 458 D CB 1.322 42.120 40.800 -0.004 0.000 1.544 458 D HN 0.001 nan 8.370 nan 0.000 0.543 459 D N 1.894 122.297 120.400 0.004 0.000 2.178 459 D HA -0.111 4.566 4.640 0.062 0.000 0.201 459 D C 1.373 177.657 176.300 -0.028 0.000 0.980 459 D CA 1.323 55.324 54.000 0.002 0.000 0.842 459 D CB 0.210 41.030 40.800 0.034 0.000 0.948 459 D HN 0.498 nan 8.370 nan 0.000 0.472 460 T N 1.055 115.596 114.554 -0.021 0.000 2.777 460 T HA -0.129 4.258 4.350 0.062 0.000 0.266 460 T C 2.018 176.682 174.700 -0.060 0.000 1.040 460 T CA 0.964 63.047 62.100 -0.029 0.000 1.141 460 T CB -0.137 68.723 68.868 -0.013 0.000 0.868 460 T HN 0.244 nan 8.240 nan 0.000 0.444 461 Q N 0.345 120.105 119.800 -0.066 0.000 2.172 461 Q HA 0.050 4.428 4.340 0.062 0.000 0.200 461 Q C 2.512 178.411 176.000 -0.168 0.000 0.964 461 Q CA 0.775 56.525 55.803 -0.089 0.000 0.855 461 Q CB -0.097 28.601 28.738 -0.067 0.000 0.918 461 Q HN 0.367 nan 8.270 nan 0.000 0.444 462 R N 0.240 120.614 120.500 -0.211 0.000 2.073 462 R HA -0.111 4.266 4.340 0.062 0.000 0.234 462 R C 2.273 178.163 176.300 -0.683 0.000 1.134 462 R CA 1.578 57.411 56.100 -0.445 0.000 0.952 462 R CB -0.045 30.070 30.300 -0.309 0.000 0.850 462 R HN 0.090 nan 8.270 nan 0.000 0.433 463 S N 0.571 116.073 115.700 -0.330 0.000 2.382 463 S HA -0.131 4.376 4.470 0.062 0.000 0.228 463 S C 1.542 176.073 174.600 -0.116 0.000 1.027 463 S CA 1.324 59.432 58.200 -0.152 0.000 0.991 463 S CB -0.105 63.085 63.200 -0.017 0.000 0.823 463 S HN 0.430 nan 8.310 nan 0.000 0.469 464 E N 0.792 120.920 120.200 -0.121 0.000 2.106 464 E HA -0.072 4.315 4.350 0.062 0.000 0.192 464 E C 2.038 178.589 176.600 -0.081 0.000 0.984 464 E CA 0.762 57.119 56.400 -0.071 0.000 0.806 464 E CB -0.267 29.398 29.700 -0.058 0.000 0.750 464 E HN 0.434 nan 8.360 nan 0.000 0.458 465 L N 0.194 121.318 121.223 -0.165 0.000 2.046 465 L HA -0.199 4.178 4.340 0.062 0.000 0.208 465 L C 2.398 179.228 176.870 -0.066 0.000 1.077 465 L CA 1.008 55.758 54.840 -0.150 0.000 0.747 465 L CB -0.423 41.502 42.059 -0.224 0.000 0.896 465 L HN 0.144 nan 8.230 nan 0.000 0.432 466 Y N -0.191 120.079 120.300 -0.049 0.000 2.224 466 Y HA -0.175 4.412 4.550 0.062 0.000 0.289 466 Y C 2.618 178.501 175.900 -0.029 0.000 1.146 466 Y CA 0.515 58.583 58.100 -0.054 0.000 1.182 466 Y CB -1.262 37.159 38.460 -0.065 0.000 0.983 466 Y HN 0.123 nan 8.280 nan 0.000 0.524 467 A N 0.292 123.185 122.820 0.121 0.000 1.902 467 A HA -0.223 4.134 4.320 0.062 0.000 0.217 467 A C 2.239 179.867 177.584 0.073 0.000 1.181 467 A CA 1.920 54.004 52.037 0.078 0.000 0.623 467 A CB -0.577 18.449 19.000 0.044 0.000 0.818 467 A HN 0.407 nan 8.150 nan 0.000 0.443 468 K N -0.305 120.126 120.400 0.051 0.000 2.148 468 K HA 0.007 4.364 4.320 0.062 0.000 0.204 468 K C 2.232 178.884 176.600 0.086 0.000 1.050 468 K CA 1.010 57.329 56.287 0.053 0.000 0.942 468 K CB -0.285 32.229 32.500 0.023 0.000 0.724 468 K HN 0.450 nan 8.250 nan 0.000 0.446 469 A N 1.520 124.387 122.820 0.078 0.000 1.898 469 A HA -0.174 4.184 4.320 0.062 0.000 0.216 469 A C 1.929 179.692 177.584 0.299 0.000 1.181 469 A CA 1.337 53.439 52.037 0.109 0.000 0.620 469 A CB -0.235 18.719 19.000 -0.077 0.000 0.819 469 A HN 0.148 nan 8.150 nan 0.000 0.442 470 E N -0.033 120.291 120.200 0.207 0.000 2.077 470 E HA -0.213 4.174 4.350 0.062 0.000 0.193 470 E C 2.184 178.876 176.600 0.154 0.000 0.989 470 E CA 1.341 57.847 56.400 0.176 0.000 0.800 470 E CB -0.356 29.409 29.700 0.110 0.000 0.746 470 E HN 0.769 nan 8.360 nan 0.000 0.452 471 Q N 0.248 120.130 119.800 0.137 0.000 2.124 471 Q HA -0.227 4.150 4.340 0.062 0.000 0.202 471 Q C 2.211 178.296 176.000 0.142 0.000 0.977 471 Q CA 1.584 57.462 55.803 0.125 0.000 0.850 471 Q CB -0.097 28.699 28.738 0.097 0.000 0.901 471 Q HN 0.104 nan 8.270 nan 0.000 0.429 472 Q N 0.861 120.769 119.800 0.180 0.000 2.079 472 Q HA -0.121 4.256 4.340 0.062 0.000 0.200 472 Q C 1.821 177.935 176.000 0.189 0.000 0.974 472 Q CA 1.325 57.256 55.803 0.214 0.000 0.840 472 Q CB -0.214 28.708 28.738 0.307 0.000 0.898 472 Q HN 0.381 nan 8.270 nan 0.000 0.430 473 L N 0.327 121.640 121.223 0.150 0.000 2.012 473 L HA -0.213 4.164 4.340 0.062 0.000 0.210 473 L C 2.191 179.005 176.870 -0.094 0.000 1.073 473 L CA 1.759 56.521 54.840 -0.129 0.000 0.748 473 L CB -0.611 41.317 42.059 -0.217 0.000 0.891 473 L HN 0.359 nan 8.230 nan 0.000 0.431 474 D N 0.147 120.565 120.400 0.030 0.000 2.117 474 D HA -0.234 4.443 4.640 0.062 0.000 0.197 474 D C 2.198 178.545 176.300 0.078 0.000 0.987 474 D CA 1.298 55.355 54.000 0.094 0.000 0.829 474 D CB 0.069 40.998 40.800 0.215 0.000 0.961 474 D HN 0.051 nan 8.370 nan 0.000 0.460 475 K N -0.237 120.218 120.400 0.092 0.000 2.103 475 K HA -0.141 4.217 4.320 0.062 0.000 0.207 475 K C 0.838 177.472 176.600 0.057 0.000 1.048 475 K CA 1.557 57.895 56.287 0.084 0.000 0.930 475 K CB 0.070 32.631 32.500 0.102 0.000 0.716 475 K HN 0.133 nan 8.250 nan 0.000 0.444 476 D N 0.173 120.609 120.400 0.059 0.000 2.340 476 D HA 0.020 4.698 4.640 0.062 0.000 0.220 476 D C -0.263 176.033 176.300 -0.007 0.000 1.039 476 D CA 0.334 54.373 54.000 0.066 0.000 0.866 476 D CB 0.348 41.270 40.800 0.202 0.000 0.913 476 D HN -0.000 nan 8.370 nan 0.000 0.523 477 S N 0.145 115.810 115.700 -0.059 0.000 3.447 477 S HA -0.254 4.253 4.470 0.062 0.000 0.371 477 S C 1.438 175.958 174.600 -0.133 0.000 0.951 477 S CA 0.303 58.443 58.200 -0.100 0.000 1.269 477 S CB -1.191 61.947 63.200 -0.102 0.000 0.919 477 S HN 0.516 nan 8.310 nan 0.000 0.516 478 A N 0.473 123.134 122.820 -0.266 0.000 1.902 478 A HA 0.255 4.612 4.320 0.062 0.000 0.217 478 A C 0.990 178.417 177.584 -0.262 0.000 1.181 478 A CA 1.491 53.292 52.037 -0.393 0.000 0.623 478 A CB -0.383 18.020 19.000 -0.996 0.000 0.818 478 A HN 1.066 nan 8.150 nan 0.000 0.443 479 I N -5.412 115.017 120.570 -0.234 0.000 3.206 479 I HA 0.657 4.865 4.170 0.062 0.000 0.313 479 I C -0.983 175.148 176.117 0.023 0.000 1.103 479 I CA -1.265 59.986 61.300 -0.082 0.000 0.985 479 I CB 2.334 40.229 38.000 -0.174 0.000 1.240 479 I HN -0.245 nan 8.210 nan 0.000 0.464 480 V N 2.804 122.824 119.914 0.177 0.000 2.257 480 V HA 0.379 4.536 4.120 0.062 0.000 0.269 480 V C -2.337 173.923 176.094 0.278 0.000 1.040 480 V CA -1.547 60.900 62.300 0.245 0.000 0.813 480 V CB 0.269 32.338 31.823 0.411 0.000 1.065 480 V HN 0.604 nan 8.190 nan 0.000 0.457 481 P HA 0.124 nan 4.420 nan 0.000 0.264 481 P C 0.513 177.918 177.300 0.175 0.000 1.193 481 P CA 0.443 63.639 63.100 0.160 0.000 0.763 481 P CB 1.398 33.153 31.700 0.092 0.000 0.810 482 V N 2.665 122.630 119.914 0.085 0.000 2.870 482 V HA 0.206 4.363 4.120 0.062 0.000 0.232 482 V C -0.065 176.038 176.094 0.015 0.000 1.161 482 V CA 1.058 63.403 62.300 0.076 0.000 1.204 482 V CB -0.542 31.300 31.823 0.033 0.000 1.003 482 V HN 0.576 nan 8.190 nan 0.000 0.499 483 Y N -2.323 117.888 120.300 -0.149 0.000 2.624 483 Y HA 0.729 5.315 4.550 0.061 0.000 0.334 483 Y C -1.653 174.081 175.900 -0.276 0.000 1.155 483 Y CA -2.495 55.442 58.100 -0.271 0.000 1.046 483 Y CB 0.472 38.816 38.460 -0.194 0.000 1.316 483 Y HN 0.091 nan 8.280 nan 0.000 0.457 484 Y N 1.866 122.384 120.300 0.362 0.000 2.336 484 Y HA 0.410 4.997 4.550 0.063 0.000 0.335 484 Y C -0.344 175.875 175.900 0.532 0.000 1.046 484 Y CA -0.834 57.489 58.100 0.371 0.000 1.198 484 Y CB 0.156 38.825 38.460 0.348 0.000 1.182 484 Y HN 0.535 nan 8.280 nan 0.000 0.502 485 Y N 1.680 122.291 120.300 0.518 0.000 2.330 485 Y HA 0.369 4.956 4.550 0.063 0.000 0.341 485 Y C 0.514 176.656 175.900 0.402 0.000 1.278 485 Y CA -0.973 57.423 58.100 0.494 0.000 1.453 485 Y CB 0.377 39.084 38.460 0.412 0.000 1.342 485 Y HN 0.387 nan 8.280 nan 0.000 0.590 486 V N -0.291 119.919 119.914 0.492 0.000 2.815 486 V HA 0.510 4.667 4.120 0.062 0.000 0.314 486 V C -0.487 175.788 176.094 0.302 0.000 1.064 486 V CA -1.298 61.191 62.300 0.316 0.000 0.952 486 V CB 1.935 33.832 31.823 0.124 0.000 1.020 486 V HN 0.743 nan 8.190 nan 0.000 0.439 487 N N 2.695 121.440 118.700 0.075 0.000 2.602 487 N HA 0.527 5.305 4.740 0.062 0.000 0.238 487 N C -0.322 175.107 175.510 -0.135 0.000 1.084 487 N CA 0.195 53.084 53.050 -0.269 0.000 0.952 487 N CB 0.615 38.709 38.487 -0.655 0.000 1.244 487 N HN 1.174 nan 8.380 nan 0.000 0.512 488 A N 4.033 126.793 122.820 -0.100 0.000 2.271 488 A HA 0.798 5.155 4.320 0.062 0.000 0.317 488 A C -0.153 177.352 177.584 -0.133 0.000 1.245 488 A CA -0.681 51.305 52.037 -0.084 0.000 0.857 488 A CB 0.582 19.507 19.000 -0.126 0.000 1.175 488 A HN 0.818 nan 8.150 nan 0.000 0.512 489 R N 1.443 121.873 120.500 -0.116 0.000 2.733 489 R HA 0.729 5.106 4.340 0.062 0.000 0.272 489 R C -1.830 174.341 176.300 -0.215 0.000 1.029 489 R CA -0.963 55.022 56.100 -0.191 0.000 0.888 489 R CB 0.911 31.056 30.300 -0.257 0.000 1.251 489 R HN 0.409 nan 8.270 nan 0.000 0.464 490 L N 1.275 122.276 121.223 -0.369 0.000 2.309 490 L HA 0.717 5.094 4.340 0.062 0.000 0.282 490 L C -0.708 175.904 176.870 -0.429 0.000 1.036 490 L CA -1.358 53.163 54.840 -0.532 0.000 0.806 490 L CB 1.938 43.290 42.059 -1.178 0.000 1.220 490 L HN 0.340 nan 8.230 nan 0.000 0.429 491 V N 2.743 122.527 119.914 -0.217 0.000 2.525 491 V HA 0.322 4.479 4.120 0.062 0.000 0.299 491 V C -0.008 176.010 176.094 -0.126 0.000 1.034 491 V CA -1.133 61.084 62.300 -0.139 0.000 0.863 491 V CB 1.767 33.471 31.823 -0.198 0.000 0.999 491 V HN 0.604 nan 8.190 nan 0.000 0.423 492 K N 4.775 124.999 120.400 -0.293 0.000 2.440 492 K HA 0.153 4.510 4.320 0.062 0.000 0.270 492 K C -1.634 174.512 176.600 -0.757 0.000 0.980 492 K CA -1.484 54.294 56.287 -0.848 0.000 0.953 492 K CB 0.866 32.248 32.500 -1.863 0.000 0.925 492 K HN 0.285 nan 8.250 nan 0.000 0.497 493 P HA -0.123 nan 4.420 nan 0.000 0.219 493 P C 0.729 177.924 177.300 -0.175 0.000 1.146 493 P CA 1.217 64.141 63.100 -0.295 0.000 0.808 493 P CB -0.050 31.567 31.700 -0.139 0.000 0.779 494 W N -1.822 119.371 121.300 -0.178 0.000 3.180 494 W HA 0.270 4.968 4.660 0.063 0.000 0.254 494 W C -0.417 176.011 176.519 -0.152 0.000 1.318 494 W CA -0.143 57.097 57.345 -0.174 0.000 1.608 494 W CB -1.285 27.930 29.460 -0.407 0.000 1.124 494 W HN -0.383 nan 8.180 nan 0.000 0.694 495 V N 3.184 122.974 119.914 -0.207 0.000 2.372 495 V HA 0.563 4.720 4.120 0.062 0.000 0.261 495 V C 0.948 176.880 176.094 -0.269 0.000 1.055 495 V CA -0.257 61.933 62.300 -0.183 0.000 0.930 495 V CB -0.054 31.632 31.823 -0.229 0.000 1.031 495 V HN 0.203 nan 8.190 nan 0.000 0.479 496 G N 2.720 111.180 108.800 -0.566 0.000 2.437 496 G HA2 0.554 4.551 3.960 0.062 0.000 0.319 496 G HA3 0.554 4.551 3.960 0.062 0.000 0.319 496 G C 0.852 175.264 174.900 -0.813 0.000 1.158 496 G CA 0.144 44.678 45.100 -0.945 0.000 0.899 496 G HN 1.450 nan 8.290 nan 0.000 0.502 497 G N -1.229 107.380 108.800 -0.319 0.000 2.194 497 G HA2 -0.257 3.740 3.960 0.062 0.000 0.236 497 G HA3 -0.257 3.740 3.960 0.062 0.000 0.236 497 G C 0.168 175.110 174.900 0.069 0.000 0.987 497 G CA 0.634 45.732 45.100 -0.004 0.000 0.635 497 G HN 1.216 nan 8.290 nan 0.000 0.520 498 Y N 3.038 123.283 120.300 -0.091 0.000 2.518 498 Y HA 0.482 5.087 4.550 0.092 0.000 0.344 498 Y C 1.762 177.632 175.900 -0.049 0.000 0.982 498 Y CA 0.413 58.473 58.100 -0.066 0.000 1.234 498 Y CB 0.886 39.286 38.460 -0.099 0.000 1.114 498 Y HN 0.267 nan 8.280 nan 0.000 0.515 499 T N 0.714 115.065 114.554 -0.340 0.000 2.896 499 T HA 0.120 4.507 4.350 0.062 0.000 0.263 499 T C 1.695 176.116 174.700 -0.466 0.000 1.050 499 T CA 0.866 62.794 62.100 -0.288 0.000 1.140 499 T CB -0.547 68.229 68.868 -0.154 0.000 0.877 499 T HN 1.270 nan 8.240 nan 0.000 0.457 500 G N 1.271 109.587 108.800 -0.807 0.000 2.162 500 G HA2 -0.268 3.730 3.960 0.062 0.000 0.260 500 G HA3 -0.268 3.730 3.960 0.062 0.000 0.260 500 G C 0.957 175.672 174.900 -0.309 0.000 0.976 500 G CA 0.493 45.193 45.100 -0.667 0.000 0.655 500 G HN 0.494 nan 8.290 nan 0.000 0.533 501 K N 0.290 120.549 120.400 -0.235 0.000 2.366 501 K HA 0.017 4.374 4.320 0.062 0.000 0.198 501 K C 0.641 177.180 176.600 -0.102 0.000 1.044 501 K CA 0.506 56.714 56.287 -0.131 0.000 0.973 501 K CB 0.036 32.475 32.500 -0.101 0.000 0.767 501 K HN 0.485 nan 8.250 nan 0.000 0.475 502 D N 1.711 122.045 120.400 -0.111 0.000 2.325 502 D HA 0.034 4.712 4.640 0.062 0.000 0.251 502 D C -1.645 174.655 176.300 0.001 0.000 1.196 502 D CA -2.173 51.796 54.000 -0.052 0.000 0.866 502 D CB 1.396 42.179 40.800 -0.028 0.000 1.101 502 D HN -0.051 nan 8.370 nan 0.000 0.476 503 P HA -0.033 nan 4.420 nan 0.000 0.237 503 P C 1.142 178.574 177.300 0.220 0.000 1.178 503 P CA 0.446 63.633 63.100 0.145 0.000 0.766 503 P CB 0.411 32.202 31.700 0.152 0.000 0.876 504 L N -0.964 120.347 121.223 0.147 0.000 2.567 504 L HA 0.136 4.513 4.340 0.062 0.000 0.225 504 L C 0.516 177.488 176.870 0.170 0.000 1.119 504 L CA 0.222 55.153 54.840 0.151 0.000 0.871 504 L CB -1.043 41.068 42.059 0.087 0.000 1.036 504 L HN 0.007 nan 8.230 nan 0.000 0.459 505 D N 1.568 122.030 120.400 0.104 0.000 2.689 505 D HA -0.205 4.473 4.640 0.062 0.000 0.237 505 D C -0.001 176.320 176.300 0.034 0.000 1.148 505 D CA 0.313 54.335 54.000 0.036 0.000 0.656 505 D CB -0.864 39.894 40.800 -0.070 0.000 1.050 505 D HN 0.134 nan 8.370 nan 0.000 0.426 506 N N 1.394 120.118 118.700 0.041 0.000 3.034 506 N HA 0.116 4.893 4.740 0.062 0.000 0.265 506 N C 0.065 175.551 175.510 -0.040 0.000 1.166 506 N CA -0.243 52.794 53.050 -0.020 0.000 1.081 506 N CB 0.152 38.676 38.487 0.062 0.000 1.378 506 N HN 0.327 nan 8.380 nan 0.000 0.520 507 I N 1.665 122.196 120.570 -0.065 0.000 2.575 507 I HA 0.120 4.328 4.170 0.062 0.000 0.285 507 I C 0.124 176.135 176.117 -0.177 0.000 1.085 507 I CA -0.393 60.917 61.300 0.017 0.000 1.403 507 I CB -0.133 37.904 38.000 0.063 0.000 1.409 507 I HN 0.195 nan 8.210 nan 0.000 0.557 508 Y N 3.701 124.050 120.300 0.081 0.000 2.331 508 Y HA 0.279 4.862 4.550 0.056 0.000 0.334 508 Y C 1.048 177.000 175.900 0.087 0.000 0.960 508 Y CA -0.624 57.523 58.100 0.080 0.000 1.130 508 Y CB 1.688 40.201 38.460 0.088 0.000 1.164 508 Y HN 0.250 nan 8.280 nan 0.000 0.458 509 V N 3.178 123.194 119.914 0.170 0.000 2.720 509 V HA -0.295 3.862 4.120 0.062 0.000 0.256 509 V C 2.096 178.346 176.094 0.260 0.000 1.082 509 V CA 2.159 64.516 62.300 0.096 0.000 1.101 509 V CB -0.500 31.212 31.823 -0.185 0.000 0.693 509 V HN 0.800 nan 8.190 nan 0.000 0.479 510 K N 0.311 120.943 120.400 0.387 0.000 2.360 510 K HA -0.168 4.190 4.320 0.062 0.000 0.201 510 K C 1.341 178.061 176.600 0.201 0.000 1.046 510 K CA 1.688 58.142 56.287 0.278 0.000 0.945 510 K CB -0.318 32.262 32.500 0.133 0.000 0.750 510 K HN 0.401 nan 8.250 nan 0.000 0.464 511 N N 0.636 119.464 118.700 0.214 0.000 2.412 511 N HA 0.136 4.913 4.740 0.062 0.000 0.184 511 N C 0.312 175.956 175.510 0.222 0.000 1.101 511 N CA 0.314 53.483 53.050 0.198 0.000 0.881 511 N CB 0.152 38.758 38.487 0.198 0.000 0.969 511 N HN 0.194 nan 8.380 nan 0.000 0.459 512 L N 0.122 121.461 121.223 0.192 0.000 2.416 512 L HA 0.450 4.827 4.340 0.062 0.000 0.263 512 L C -0.648 176.356 176.870 0.222 0.000 1.065 512 L CA -1.126 53.782 54.840 0.114 0.000 0.798 512 L CB 0.836 42.912 42.059 0.029 0.000 1.267 512 L HN 0.089 nan 8.230 nan 0.000 0.467 513 Y N -1.499 118.855 120.300 0.090 0.000 2.592 513 Y HA 0.592 5.167 4.550 0.043 0.000 0.334 513 Y C -1.274 174.694 175.900 0.113 0.000 1.136 513 Y CA -1.422 56.733 58.100 0.091 0.000 1.042 513 Y CB 0.814 39.323 38.460 0.081 0.000 1.325 513 Y HN 0.096 nan 8.280 nan 0.000 0.457 514 I N 4.019 124.755 120.570 0.276 0.000 2.321 514 I HA 0.369 4.576 4.170 0.062 0.000 0.291 514 I C -0.041 176.259 176.117 0.306 0.000 0.998 514 I CA -1.048 60.404 61.300 0.253 0.000 1.227 514 I CB 1.026 39.153 38.000 0.211 0.000 1.368 514 I HN 0.640 nan 8.210 nan 0.000 0.466 515 I N 5.146 125.915 120.570 0.333 0.000 2.519 515 I HA 0.147 4.354 4.170 0.062 0.000 0.287 515 I C 0.955 177.245 176.117 0.288 0.000 1.047 515 I CA -0.644 60.842 61.300 0.310 0.000 1.381 515 I CB 0.581 38.760 38.000 0.298 0.000 1.417 515 I HN 0.474 nan 8.210 nan 0.000 0.540 516 K N 6.166 126.668 120.400 0.170 0.000 2.491 516 K HA -0.030 4.328 4.320 0.062 0.000 0.279 516 K C -0.370 176.292 176.600 0.105 0.000 1.026 516 K CA 0.549 56.875 56.287 0.066 0.000 1.070 516 K CB 0.168 32.684 32.500 0.026 0.000 0.887 516 K HN 0.671 nan 8.250 nan 0.000 0.481 517 H N 0.000 118.999 119.070 -0.118 0.000 2.539 517 H HA 0.000 4.594 4.556 0.063 0.000 0.296 517 H CA 0.000 55.971 56.048 -0.128 0.000 1.023 517 H CB 0.000 29.669 29.762 -0.156 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496