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 1jev_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 0.000 177.621 177.584 0.062 0.000 1.274 1 A CA 0.000 52.116 52.037 0.132 0.000 0.836 1 A CB 0.000 19.126 19.000 0.210 0.000 0.831 2 D N 2.113 122.556 120.400 0.071 0.000 2.477 2 D HA 0.393 5.073 4.640 0.066 0.000 0.239 2 D C -0.272 175.974 176.300 -0.090 0.000 1.102 2 D CA 0.034 54.037 54.000 0.006 0.000 0.901 2 D CB 1.550 42.376 40.800 0.043 0.000 1.026 2 D HN 0.275 nan 8.370 nan 0.000 0.515 3 V N 3.935 123.702 119.914 -0.244 0.000 2.439 3 V HA 0.140 4.300 4.120 0.066 0.000 0.271 3 V C -1.720 174.230 176.094 -0.241 0.000 1.040 3 V CA -1.205 60.793 62.300 -0.503 0.000 1.002 3 V CB 0.170 31.670 31.823 -0.538 0.000 1.000 3 V HN 0.291 nan 8.190 nan 0.000 0.477 4 P HA 0.229 nan 4.420 nan 0.000 0.265 4 P C -0.044 177.225 177.300 -0.052 0.000 1.193 4 P CA -0.025 63.044 63.100 -0.052 0.000 0.765 4 P CB 0.458 32.169 31.700 0.019 0.000 0.823 5 A N 2.500 125.304 122.820 -0.027 0.000 2.498 5 A HA 0.435 4.795 4.320 0.066 0.000 0.239 5 A C 1.559 179.140 177.584 -0.005 0.000 1.068 5 A CA 0.801 52.826 52.037 -0.019 0.000 0.766 5 A CB -0.973 18.021 19.000 -0.009 0.000 1.003 5 A HN 0.896 nan 8.150 nan 0.000 0.497 6 G N 0.584 109.382 108.800 -0.003 0.000 2.358 6 G HA2 -0.205 3.794 3.960 0.066 0.000 0.224 6 G HA3 -0.205 3.794 3.960 0.066 0.000 0.224 6 G C 0.366 175.277 174.900 0.019 0.000 1.073 6 G CA 0.007 45.114 45.100 0.011 0.000 0.635 6 G HN 1.544 nan 8.290 nan 0.000 0.509 7 V N 3.886 123.811 119.914 0.017 0.000 2.540 7 V HA 0.331 4.490 4.120 0.066 0.000 0.297 7 V C 0.810 176.922 176.094 0.031 0.000 1.024 7 V CA 0.854 63.179 62.300 0.042 0.000 1.105 7 V CB 0.979 32.824 31.823 0.037 0.000 0.938 7 V HN 0.621 nan 8.190 nan 0.000 0.482 8 Q N 5.483 125.318 119.800 0.059 0.000 2.278 8 Q HA 0.630 5.010 4.340 0.066 0.000 0.257 8 Q C -0.966 175.082 176.000 0.079 0.000 0.928 8 Q CA -0.671 55.161 55.803 0.048 0.000 0.932 8 Q CB 1.568 30.329 28.738 0.039 0.000 1.221 8 Q HN 0.581 nan 8.270 nan 0.000 0.434 9 L N 1.946 123.206 121.223 0.061 0.000 2.371 9 L HA 0.482 4.862 4.340 0.066 0.000 0.272 9 L C 0.456 177.367 176.870 0.070 0.000 1.124 9 L CA -0.697 54.198 54.840 0.092 0.000 0.816 9 L CB 1.043 43.141 42.059 0.065 0.000 1.129 9 L HN 0.794 nan 8.230 nan 0.000 0.448 10 A N 1.640 124.515 122.820 0.092 0.000 2.425 10 A HA 0.037 4.396 4.320 0.066 0.000 0.242 10 A C 0.647 178.237 177.584 0.011 0.000 1.077 10 A CA -0.267 51.789 52.037 0.031 0.000 0.781 10 A CB 0.190 19.216 19.000 0.042 0.000 1.020 10 A HN 0.856 nan 8.150 nan 0.000 0.494 11 D N 0.015 120.398 120.400 -0.029 0.000 2.097 11 D HA -0.044 4.635 4.640 0.066 0.000 0.197 11 D C 0.681 176.974 176.300 -0.012 0.000 0.984 11 D CA 1.498 55.484 54.000 -0.023 0.000 0.826 11 D CB 0.111 40.885 40.800 -0.043 0.000 0.973 11 D HN 0.543 nan 8.370 nan 0.000 0.460 12 K N 1.208 121.594 120.400 -0.023 0.000 2.253 12 K HA 0.122 4.481 4.320 0.066 0.000 0.277 12 K C -0.598 176.015 176.600 0.021 0.000 1.053 12 K CA -0.303 55.979 56.287 -0.009 0.000 0.892 12 K CB 0.630 33.112 32.500 -0.030 0.000 1.102 12 K HN -0.122 nan 8.250 nan 0.000 0.469 13 Q N 3.322 123.146 119.800 0.040 0.000 2.771 13 Q HA 0.113 4.492 4.340 0.066 0.000 0.239 13 Q C -0.588 175.448 176.000 0.061 0.000 1.231 13 Q CA -0.138 55.706 55.803 0.069 0.000 1.056 13 Q CB 1.004 29.794 28.738 0.085 0.000 1.284 13 Q HN 0.703 nan 8.270 nan 0.000 0.558 14 T N -1.536 113.044 114.554 0.044 0.000 2.907 14 T HA 0.768 5.158 4.350 0.066 0.000 0.292 14 T C -0.684 174.022 174.700 0.010 0.000 1.043 14 T CA -0.878 61.233 62.100 0.019 0.000 1.003 14 T CB 1.897 70.767 68.868 0.004 0.000 1.084 14 T HN 0.229 nan 8.240 nan 0.000 0.483 15 L N 1.831 123.029 121.223 -0.042 0.000 2.409 15 L HA 0.824 5.203 4.340 0.066 0.000 0.262 15 L C -1.554 175.232 176.870 -0.140 0.000 0.992 15 L CA -0.732 54.063 54.840 -0.075 0.000 0.817 15 L CB 2.409 44.396 42.059 -0.119 0.000 1.350 15 L HN 0.718 nan 8.230 nan 0.000 0.411 16 V N 4.675 124.515 119.914 -0.123 0.000 2.407 16 V HA 0.621 4.780 4.120 0.066 0.000 0.291 16 V C -0.361 175.625 176.094 -0.181 0.000 1.018 16 V CA -0.569 61.640 62.300 -0.151 0.000 0.842 16 V CB 1.594 33.371 31.823 -0.076 0.000 0.996 16 V HN 0.704 nan 8.190 nan 0.000 0.426 17 R N 2.875 123.198 120.500 -0.295 0.000 2.562 17 R HA 0.465 4.845 4.340 0.066 0.000 0.298 17 R C -0.618 175.598 176.300 -0.139 0.000 0.961 17 R CA -0.854 55.091 56.100 -0.259 0.000 0.881 17 R CB 1.949 31.972 30.300 -0.462 0.000 1.159 17 R HN 0.681 nan 8.270 nan 0.000 0.450 18 N N 0.712 119.390 118.700 -0.036 0.000 2.530 18 N HA 0.032 4.812 4.740 0.066 0.000 0.277 18 N C -0.065 175.473 175.510 0.047 0.000 1.168 18 N CA -0.023 53.029 53.050 0.003 0.000 0.979 18 N CB 0.863 39.364 38.487 0.024 0.000 1.141 18 N HN 0.476 nan 8.380 nan 0.000 0.459 19 N N 1.060 119.718 118.700 -0.070 0.000 2.238 19 N HA 0.222 5.001 4.740 0.066 0.000 0.235 19 N C 0.695 175.721 175.510 -0.807 0.000 1.209 19 N CA 0.553 53.474 53.050 -0.215 0.000 0.879 19 N CB 0.149 38.607 38.487 -0.049 0.000 1.136 19 N HN 0.756 nan 8.380 nan 0.000 0.517 20 G N -0.700 107.562 108.800 -0.898 0.000 2.412 20 G HA2 -0.271 3.728 3.960 0.066 0.000 0.252 20 G HA3 -0.271 3.728 3.960 0.066 0.000 0.252 20 G C 0.259 174.795 174.900 -0.607 0.000 1.038 20 G CA 0.700 45.170 45.100 -1.050 0.000 0.628 20 G HN 0.638 nan 8.290 nan 0.000 0.531 21 S N -1.448 113.954 115.700 -0.496 0.000 2.643 21 S HA 0.464 4.973 4.470 0.066 0.000 0.266 21 S C -1.455 173.047 174.600 -0.162 0.000 1.130 21 S CA 0.346 58.372 58.200 -0.289 0.000 0.817 21 S CB 1.356 64.335 63.200 -0.368 0.000 1.107 21 S HN 0.949 nan 8.310 nan 0.000 0.471 22 E N 1.661 121.853 120.200 -0.012 0.000 2.316 22 E HA 0.401 4.790 4.350 0.066 0.000 0.275 22 E C 0.172 176.847 176.600 0.125 0.000 1.029 22 E CA -0.440 56.005 56.400 0.076 0.000 0.871 22 E CB 0.713 30.491 29.700 0.130 0.000 1.022 22 E HN 0.585 nan 8.360 nan 0.000 0.418 23 V N 2.680 122.646 119.914 0.087 0.000 2.999 23 V HA -0.034 4.125 4.120 0.066 0.000 0.307 23 V C 1.053 177.272 176.094 0.209 0.000 1.084 23 V CA 0.089 62.447 62.300 0.096 0.000 1.155 23 V CB 0.835 32.609 31.823 -0.081 0.000 0.975 23 V HN 0.877 nan 8.190 nan 0.000 0.490 24 Q N 1.724 121.654 119.800 0.217 0.000 2.079 24 Q HA 0.077 4.457 4.340 0.066 0.000 0.200 24 Q C 1.080 177.176 176.000 0.159 0.000 0.974 24 Q CA 1.680 57.586 55.803 0.171 0.000 0.840 24 Q CB 0.169 28.977 28.738 0.117 0.000 0.898 24 Q HN 0.984 nan 8.270 nan 0.000 0.430 25 S N -2.376 113.395 115.700 0.118 0.000 2.627 25 S HA 0.304 4.814 4.470 0.066 0.000 0.268 25 S C -0.943 173.616 174.600 -0.068 0.000 1.130 25 S CA -0.773 57.490 58.200 0.105 0.000 0.819 25 S CB 0.276 63.519 63.200 0.073 0.000 1.100 25 S HN 0.170 nan 8.310 nan 0.000 0.465 26 L N 1.254 122.390 121.223 -0.145 0.000 2.693 26 L HA 0.381 4.760 4.340 0.066 0.000 0.235 26 L C 0.109 176.869 176.870 -0.183 0.000 1.127 26 L CA -0.027 54.664 54.840 -0.249 0.000 0.914 26 L CB 0.285 42.096 42.059 -0.414 0.000 1.193 26 L HN 0.583 nan 8.230 nan 0.000 0.502 27 D N 1.470 121.773 120.400 -0.162 0.000 2.325 27 D HA 0.110 4.789 4.640 0.066 0.000 0.251 27 D C -1.673 174.571 176.300 -0.093 0.000 1.196 27 D CA -1.947 52.013 54.000 -0.066 0.000 0.866 27 D CB 1.911 42.788 40.800 0.129 0.000 1.101 27 D HN -0.117 nan 8.370 nan 0.000 0.476 28 P HA -0.118 nan 4.420 nan 0.000 0.220 28 P C 0.382 177.609 177.300 -0.122 0.000 1.144 28 P CA 1.304 64.236 63.100 -0.282 0.000 0.800 28 P CB 0.043 31.462 31.700 -0.469 0.000 0.772 29 H N -1.609 117.451 119.070 -0.018 0.000 2.539 29 H HA 0.180 4.775 4.556 0.066 0.000 0.269 29 H C 1.012 176.360 175.328 0.034 0.000 0.980 29 H CA 0.049 56.098 56.048 0.003 0.000 1.152 29 H CB 0.346 30.109 29.762 0.001 0.000 1.407 29 H HN -0.046 nan 8.280 nan 0.000 0.564 30 K N 1.077 121.560 120.400 0.139 0.000 2.438 30 K HA 0.211 4.570 4.320 0.066 0.000 0.205 30 K C 0.108 176.753 176.600 0.076 0.000 1.033 30 K CA 0.032 56.377 56.287 0.098 0.000 1.089 30 K CB 0.860 33.416 32.500 0.095 0.000 0.857 30 K HN 0.381 nan 8.250 nan 0.000 0.522 31 I N -2.954 117.672 120.570 0.094 0.000 2.648 31 I HA 0.390 4.599 4.170 0.066 0.000 0.304 31 I C 0.341 176.586 176.117 0.214 0.000 1.009 31 I CA -0.578 60.784 61.300 0.103 0.000 1.114 31 I CB 2.258 40.282 38.000 0.040 0.000 1.293 31 I HN -0.116 nan 8.210 nan 0.000 0.449 32 E N 2.256 122.581 120.200 0.209 0.000 2.712 32 E HA 0.305 4.694 4.350 0.066 0.000 0.221 32 E C 0.270 177.039 176.600 0.282 0.000 0.943 32 E CA -0.256 56.325 56.400 0.302 0.000 1.259 32 E CB 1.191 30.964 29.700 0.121 0.000 1.167 32 E HN 0.994 nan 8.360 nan 0.000 0.569 33 G N -0.204 108.759 108.800 0.273 0.000 2.735 33 G HA2 0.343 4.342 3.960 0.066 0.000 0.301 33 G HA3 0.343 4.342 3.960 0.066 0.000 0.301 33 G C 0.805 175.813 174.900 0.180 0.000 1.279 33 G CA -0.472 44.846 45.100 0.362 0.000 1.019 33 G HN -0.032 nan 8.290 nan 0.000 0.497 34 V N 1.114 121.113 119.914 0.142 0.000 2.295 34 V HA -0.070 4.089 4.120 0.066 0.000 0.246 34 V C -0.157 175.928 176.094 -0.015 0.000 1.049 34 V CA 2.168 64.486 62.300 0.031 0.000 1.024 34 V CB -0.909 30.948 31.823 0.058 0.000 0.648 34 V HN 0.522 nan 8.190 nan 0.000 0.447 35 P HA -0.134 nan 4.420 nan 0.000 0.215 35 P C 1.464 178.657 177.300 -0.177 0.000 1.153 35 P CA 1.336 64.310 63.100 -0.210 0.000 0.853 35 P CB 0.020 31.467 31.700 -0.421 0.000 0.788 36 E N -0.563 119.598 120.200 -0.066 0.000 2.051 36 E HA -0.116 4.274 4.350 0.066 0.000 0.192 36 E C 2.156 178.660 176.600 -0.160 0.000 0.991 36 E CA 1.528 57.876 56.400 -0.088 0.000 0.799 36 E CB -1.090 28.625 29.700 0.024 0.000 0.748 36 E HN 0.152 nan 8.360 nan 0.000 0.449 37 S N 0.789 116.405 115.700 -0.141 0.000 2.402 37 S HA -0.086 4.424 4.470 0.066 0.000 0.229 37 S C 1.569 176.032 174.600 -0.228 0.000 1.021 37 S CA 0.721 58.802 58.200 -0.198 0.000 0.974 37 S CB -0.264 62.814 63.200 -0.204 0.000 0.800 37 S HN 0.240 nan 8.310 nan 0.000 0.484 38 N N 1.548 120.113 118.700 -0.225 0.000 2.069 38 N HA -0.074 4.706 4.740 0.066 0.000 0.191 38 N C 1.711 176.950 175.510 -0.451 0.000 1.031 38 N CA 1.136 54.029 53.050 -0.262 0.000 0.852 38 N CB -0.681 37.699 38.487 -0.178 0.000 1.018 38 N HN 0.242 nan 8.380 nan 0.000 0.423 39 V N 0.161 119.711 119.914 -0.607 0.000 2.379 39 V HA -0.099 4.060 4.120 0.066 0.000 0.245 39 V C 2.450 178.334 176.094 -0.350 0.000 1.044 39 V CA 1.379 63.257 62.300 -0.702 0.000 1.036 39 V CB -0.703 30.695 31.823 -0.709 0.000 0.664 39 V HN 0.289 nan 8.190 nan 0.000 0.453 40 S N -0.198 115.362 115.700 -0.232 0.000 2.374 40 S HA -0.248 4.261 4.470 0.066 0.000 0.227 40 S C 2.185 176.765 174.600 -0.033 0.000 1.037 40 S CA 1.716 59.883 58.200 -0.055 0.000 1.024 40 S CB -0.279 62.880 63.200 -0.069 0.000 0.861 40 S HN 0.538 nan 8.310 nan 0.000 0.456 41 R N 0.345 120.763 120.500 -0.136 0.000 2.152 41 R HA -0.048 4.331 4.340 0.066 0.000 0.232 41 R C 1.475 177.779 176.300 0.007 0.000 1.117 41 R CA 1.456 57.485 56.100 -0.118 0.000 0.981 41 R CB -0.266 29.745 30.300 -0.482 0.000 0.870 41 R HN 0.421 nan 8.270 nan 0.000 0.451 42 D N 0.003 120.379 120.400 -0.040 0.000 2.289 42 D HA -0.017 4.662 4.640 0.066 0.000 0.207 42 D C 1.722 178.020 176.300 -0.004 0.000 0.966 42 D CA 0.838 54.876 54.000 0.065 0.000 0.868 42 D CB 0.291 41.096 40.800 0.009 0.000 0.943 42 D HN 0.209 nan 8.370 nan 0.000 0.514 43 L N -1.408 119.730 121.223 -0.143 0.000 2.388 43 L HA 0.169 4.548 4.340 0.066 0.000 0.209 43 L C -0.016 176.493 176.870 -0.600 0.000 1.061 43 L CA 0.322 54.920 54.840 -0.404 0.000 0.834 43 L CB 0.326 42.021 42.059 -0.605 0.000 1.029 43 L HN -0.173 nan 8.230 nan 0.000 0.473 44 F N -0.015 119.955 119.950 0.033 0.000 2.493 44 F HA 0.396 4.962 4.527 0.065 0.000 0.329 44 F C 0.042 175.880 175.800 0.062 0.000 1.126 44 F CA -0.834 57.199 58.000 0.055 0.000 0.937 44 F CB 1.582 40.626 39.000 0.072 0.000 1.146 44 F HN -0.185 nan 8.300 nan 0.000 0.442 45 E N 1.975 122.308 120.200 0.222 0.000 2.176 45 E HA 0.606 4.995 4.350 0.066 0.000 0.267 45 E C -0.036 176.738 176.600 0.290 0.000 0.893 45 E CA -0.543 56.006 56.400 0.249 0.000 0.761 45 E CB 1.438 31.303 29.700 0.274 0.000 1.133 45 E HN 0.817 nan 8.360 nan 0.000 0.409 46 G N 2.962 111.946 108.800 0.307 0.000 2.509 46 G HA2 0.133 4.133 3.960 0.066 0.000 0.269 46 G HA3 0.133 4.133 3.960 0.066 0.000 0.269 46 G C 0.874 175.927 174.900 0.255 0.000 1.416 46 G CA -0.490 44.851 45.100 0.401 0.000 1.052 46 G HN 0.603 nan 8.290 nan 0.000 0.542 47 L N -1.322 119.900 121.223 -0.002 0.000 2.012 47 L HA 0.033 4.412 4.340 0.066 0.000 0.210 47 L C 0.609 177.405 176.870 -0.124 0.000 1.073 47 L CA 0.810 55.468 54.840 -0.304 0.000 0.748 47 L CB -0.494 41.140 42.059 -0.708 0.000 0.891 47 L HN 0.108 nan 8.230 nan 0.000 0.431 48 L N -1.205 119.964 121.223 -0.089 0.000 2.323 48 L HA 0.551 4.930 4.340 0.066 0.000 0.265 48 L C -0.302 176.635 176.870 0.113 0.000 1.012 48 L CA -0.435 54.399 54.840 -0.010 0.000 0.820 48 L CB 1.991 43.986 42.059 -0.107 0.000 1.334 48 L HN -0.028 nan 8.230 nan 0.000 0.427 49 I N -3.112 117.551 120.570 0.155 0.000 3.145 49 I HA 0.687 4.896 4.170 0.066 0.000 0.313 49 I C -0.564 175.659 176.117 0.176 0.000 1.122 49 I CA -0.694 60.701 61.300 0.157 0.000 0.987 49 I CB 2.306 40.267 38.000 -0.064 0.000 1.236 49 I HN 0.342 nan 8.210 nan 0.000 0.453 50 S N 1.971 117.829 115.700 0.263 0.000 2.562 50 S HA 0.247 4.757 4.470 0.066 0.000 0.275 50 S C -0.492 174.213 174.600 0.174 0.000 1.281 50 S CA -0.621 57.739 58.200 0.267 0.000 1.045 50 S CB 0.829 64.227 63.200 0.330 0.000 0.962 50 S HN 0.805 nan 8.310 nan 0.000 0.503 51 D N 0.765 121.276 120.400 0.186 0.000 2.398 51 D HA 0.017 4.697 4.640 0.066 0.000 0.264 51 D C 1.597 177.986 176.300 0.149 0.000 1.263 51 D CA -0.579 53.517 54.000 0.159 0.000 1.037 51 D CB -0.272 40.664 40.800 0.226 0.000 1.101 51 D HN 0.283 nan 8.370 nan 0.000 0.551 52 V N -3.314 116.680 119.914 0.134 0.000 3.241 52 V HA -0.029 4.130 4.120 0.066 0.000 0.269 52 V C 1.148 177.264 176.094 0.037 0.000 1.151 52 V CA 1.321 63.687 62.300 0.110 0.000 1.158 52 V CB -1.118 30.769 31.823 0.107 0.000 0.764 52 V HN 0.528 nan 8.190 nan 0.000 0.508 53 E N 0.396 120.591 120.200 -0.008 0.000 2.538 53 E HA 0.402 4.792 4.350 0.066 0.000 0.207 53 E C 1.531 177.964 176.600 -0.280 0.000 1.002 53 E CA 0.412 56.723 56.400 -0.148 0.000 0.952 53 E CB 0.792 30.401 29.700 -0.152 0.000 1.031 53 E HN 0.749 nan 8.360 nan 0.000 0.476 54 G N 1.770 110.491 108.800 -0.131 0.000 2.175 54 G HA2 -0.248 3.751 3.960 0.066 0.000 0.244 54 G HA3 -0.248 3.751 3.960 0.066 0.000 0.244 54 G C -0.173 174.710 174.900 -0.028 0.000 0.982 54 G CA -0.081 44.983 45.100 -0.060 0.000 0.641 54 G HN 0.419 nan 8.290 nan 0.000 0.527 55 H N 1.519 120.685 119.070 0.159 0.000 2.722 55 H HA 0.421 4.995 4.556 0.031 0.000 0.328 55 H C -2.183 173.282 175.328 0.228 0.000 1.067 55 H CA -1.371 54.791 56.048 0.190 0.000 1.447 55 H CB 0.733 30.604 29.762 0.182 0.000 1.469 55 H HN 0.101 nan 8.280 nan 0.000 0.544 56 P HA -0.046 nan 4.420 nan 0.000 0.260 56 P C -0.681 176.878 177.300 0.432 0.000 1.185 56 P CA 0.350 63.679 63.100 0.381 0.000 0.763 56 P CB 0.620 32.606 31.700 0.477 0.000 0.776 57 S N 3.236 119.158 115.700 0.371 0.000 2.651 57 S HA 0.747 5.256 4.470 0.066 0.000 0.279 57 S C -3.139 171.714 174.600 0.420 0.000 1.148 57 S CA -2.422 56.022 58.200 0.406 0.000 0.837 57 S CB 1.146 64.523 63.200 0.295 0.000 1.138 57 S HN 0.017 nan 8.310 nan 0.000 0.478 58 P HA 0.274 nan 4.420 nan 0.000 0.263 58 P C 0.340 177.834 177.300 0.324 0.000 1.195 58 P CA 0.377 63.747 63.100 0.450 0.000 0.762 58 P CB 0.367 32.266 31.700 0.330 0.000 0.799 59 G N 1.616 110.570 108.800 0.255 0.000 3.110 59 G HA2 0.122 4.121 3.960 0.066 0.000 0.207 59 G HA3 0.122 4.121 3.960 0.066 0.000 0.207 59 G C 1.025 176.039 174.900 0.190 0.000 1.841 59 G CA -0.248 45.027 45.100 0.291 0.000 0.751 59 G HN 0.261 nan 8.290 nan 0.000 0.771 60 V N 1.850 121.850 119.914 0.142 0.000 2.427 60 V HA 0.163 4.322 4.120 0.066 0.000 0.248 60 V C 1.852 177.899 176.094 -0.078 0.000 1.051 60 V CA 1.402 63.708 62.300 0.008 0.000 1.048 60 V CB -0.735 31.165 31.823 0.128 0.000 0.666 60 V HN 0.601 nan 8.190 nan 0.000 0.456 61 A N 0.886 123.706 122.820 0.001 0.000 2.354 61 A HA 0.285 4.644 4.320 0.066 0.000 0.281 61 A C 1.257 178.994 177.584 0.256 0.000 1.174 61 A CA -0.058 52.074 52.037 0.159 0.000 0.828 61 A CB 0.122 19.312 19.000 0.317 0.000 1.099 61 A HN 0.642 nan 8.150 nan 0.000 0.516 62 E N 1.825 122.118 120.200 0.155 0.000 2.250 62 E HA 0.136 4.525 4.350 0.066 0.000 0.192 62 E C -0.030 176.646 176.600 0.127 0.000 0.986 62 E CA 0.598 57.045 56.400 0.078 0.000 0.849 62 E CB 0.111 29.759 29.700 -0.087 0.000 0.797 62 E HN 0.499 nan 8.360 nan 0.000 0.482 63 K N -0.124 120.415 120.400 0.232 0.000 2.551 63 K HA 0.455 4.815 4.320 0.066 0.000 0.269 63 K C -1.989 174.844 176.600 0.387 0.000 0.949 63 K CA -0.570 55.747 56.287 0.051 0.000 0.849 63 K CB 1.748 34.227 32.500 -0.036 0.000 1.411 63 K HN 0.242 nan 8.250 nan 0.000 0.432 64 W N -0.145 121.236 121.300 0.134 0.000 3.137 64 W HA 0.717 5.411 4.660 0.058 0.000 0.324 64 W C -1.344 175.140 176.519 -0.058 0.000 1.253 64 W CA -0.631 56.703 57.345 -0.019 0.000 1.183 64 W CB 0.946 30.297 29.460 -0.182 0.000 1.424 64 W HN 0.342 nan 8.180 nan 0.000 0.566 65 E N 1.279 121.506 120.200 0.044 0.000 2.416 65 E HA 0.506 4.895 4.350 0.066 0.000 0.273 65 E C -1.265 175.180 176.600 -0.258 0.000 0.935 65 E CA -1.169 55.174 56.400 -0.095 0.000 0.784 65 E CB 2.055 31.692 29.700 -0.104 0.000 1.301 65 E HN 0.525 nan 8.360 nan 0.000 0.454 66 N N -0.561 117.858 118.700 -0.470 0.000 2.229 66 N HA 0.550 5.330 4.740 0.066 0.000 0.298 66 N C -1.515 173.616 175.510 -0.631 0.000 1.114 66 N CA -1.062 51.460 53.050 -0.880 0.000 0.776 66 N CB 1.658 39.085 38.487 -1.767 0.000 1.501 66 N HN 0.186 nan 8.380 nan 0.000 0.474 67 K N 1.159 121.214 120.400 -0.575 0.000 2.449 67 K HA 0.329 4.689 4.320 0.066 0.000 0.257 67 K C -0.948 175.402 176.600 -0.416 0.000 0.989 67 K CA -0.277 55.764 56.287 -0.409 0.000 0.916 67 K CB 0.123 32.462 32.500 -0.268 0.000 1.136 67 K HN 0.643 nan 8.250 nan 0.000 0.439 68 D N 4.478 124.586 120.400 -0.486 0.000 2.983 68 D HA -0.242 4.438 4.640 0.066 0.000 0.225 68 D C -0.517 175.600 176.300 -0.304 0.000 1.174 68 D CA 1.264 55.014 54.000 -0.417 0.000 0.831 68 D CB -1.122 39.569 40.800 -0.183 0.000 1.104 68 D HN 0.726 nan 8.370 nan 0.000 0.421 69 F N -2.222 117.590 119.950 -0.230 0.000 3.006 69 F HA -0.320 4.246 4.527 0.065 0.000 0.289 69 F C 1.620 177.486 175.800 0.111 0.000 0.772 69 F CA 1.471 59.421 58.000 -0.082 0.000 1.162 69 F CB -2.115 36.987 39.000 0.169 0.000 1.382 69 F HN 0.206 nan 8.300 nan 0.000 0.406 70 K N -0.916 119.495 120.400 0.019 0.000 2.367 70 K HA 0.392 4.751 4.320 0.066 0.000 0.198 70 K C 0.228 176.849 176.600 0.035 0.000 1.132 70 K CA 0.734 57.065 56.287 0.073 0.000 0.941 70 K CB 1.040 33.544 32.500 0.008 0.000 1.052 70 K HN 0.009 nan 8.250 nan 0.000 0.507 71 V N 1.863 121.687 119.914 -0.150 0.000 2.350 71 V HA 0.249 4.409 4.120 0.066 0.000 0.285 71 V C -1.499 174.442 176.094 -0.256 0.000 1.014 71 V CA -0.731 61.502 62.300 -0.110 0.000 0.831 71 V CB 0.674 32.425 31.823 -0.120 0.000 1.000 71 V HN 0.173 nan 8.190 nan 0.000 0.433 72 W N 2.575 123.813 121.300 -0.104 0.000 2.376 72 W HA 0.630 5.328 4.660 0.064 0.000 0.312 72 W C 0.283 176.617 176.519 -0.307 0.000 1.060 72 W CA -0.428 56.829 57.345 -0.148 0.000 1.221 72 W CB 1.806 31.327 29.460 0.103 0.000 1.281 72 W HN 0.366 nan 8.180 nan 0.000 0.456 73 T N 4.440 118.817 114.554 -0.294 0.000 2.772 73 T HA 0.470 4.860 4.350 0.066 0.000 0.288 73 T C -1.018 173.348 174.700 -0.557 0.000 0.994 73 T CA -0.502 61.397 62.100 -0.334 0.000 0.951 73 T CB 0.227 68.949 68.868 -0.244 0.000 0.933 73 T HN -0.030 nan 8.240 nan 0.000 0.447 74 F N 2.961 122.850 119.950 -0.103 0.000 2.411 74 F HA 0.324 4.889 4.527 0.063 0.000 0.352 74 F C 0.979 176.646 175.800 -0.223 0.000 1.123 74 F CA -0.993 56.989 58.000 -0.029 0.000 1.044 74 F CB 0.965 39.998 39.000 0.055 0.000 1.135 74 F HN 0.499 nan 8.300 nan 0.000 0.461 75 H N 5.470 124.703 119.070 0.272 0.000 2.690 75 H HA 0.310 4.905 4.556 0.065 0.000 0.289 75 H C -0.191 175.215 175.328 0.131 0.000 1.089 75 H CA -0.388 55.754 56.048 0.157 0.000 1.299 75 H CB 0.799 30.610 29.762 0.081 0.000 1.405 75 H HN 0.462 nan 8.280 nan 0.000 0.463 76 L N 4.199 125.530 121.223 0.180 0.000 2.331 76 L HA 0.237 4.617 4.340 0.066 0.000 0.278 76 L C 1.181 178.054 176.870 0.005 0.000 1.106 76 L CA -0.631 54.263 54.840 0.089 0.000 0.824 76 L CB 0.576 42.706 42.059 0.118 0.000 1.142 76 L HN 0.478 nan 8.230 nan 0.000 0.443 77 R N 1.380 121.802 120.500 -0.131 0.000 2.623 77 R HA 0.001 4.380 4.340 0.066 0.000 0.271 77 R C 0.223 176.374 176.300 -0.249 0.000 1.043 77 R CA -0.349 55.604 56.100 -0.246 0.000 1.083 77 R CB 0.688 30.715 30.300 -0.454 0.000 0.974 77 R HN 0.578 nan 8.270 nan 0.000 0.436 78 E N 1.221 121.224 120.200 -0.329 0.000 2.204 78 E HA -0.185 4.205 4.350 0.066 0.000 0.195 78 E C 0.866 177.371 176.600 -0.159 0.000 0.990 78 E CA 1.646 57.791 56.400 -0.425 0.000 0.821 78 E CB 0.046 29.530 29.700 -0.359 0.000 0.750 78 E HN 0.808 nan 8.360 nan 0.000 0.477 79 N N 0.075 118.707 118.700 -0.113 0.000 2.314 79 N HA 0.066 4.846 4.740 0.066 0.000 0.200 79 N C -0.436 175.094 175.510 0.033 0.000 1.135 79 N CA 0.218 53.260 53.050 -0.014 0.000 0.835 79 N CB 0.058 38.552 38.487 0.012 0.000 0.989 79 N HN -0.029 nan 8.380 nan 0.000 0.478 80 A N 0.723 123.532 122.820 -0.018 0.000 2.492 80 A HA 0.381 4.741 4.320 0.066 0.000 0.254 80 A C 0.059 177.684 177.584 0.068 0.000 1.091 80 A CA -0.014 52.043 52.037 0.033 0.000 0.768 80 A CB 0.192 19.172 19.000 -0.033 0.000 1.028 80 A HN 0.356 nan 8.150 nan 0.000 0.498 81 K N 1.358 121.808 120.400 0.084 0.000 2.482 81 K HA 0.405 4.764 4.320 0.066 0.000 0.257 81 K C -1.343 175.273 176.600 0.026 0.000 0.969 81 K CA -0.517 55.819 56.287 0.081 0.000 0.842 81 K CB 1.649 34.236 32.500 0.145 0.000 1.359 81 K HN 0.754 nan 8.250 nan 0.000 0.441 82 W N 0.507 121.894 121.300 0.146 0.000 2.141 82 W HA 0.040 4.742 4.660 0.069 0.000 0.354 82 W C 1.688 178.270 176.519 0.104 0.000 1.297 82 W CA -0.080 57.341 57.345 0.127 0.000 1.380 82 W CB 0.734 30.260 29.460 0.110 0.000 1.168 82 W HN 0.736 nan 8.180 nan 0.000 0.639 83 S N -0.496 115.427 115.700 0.371 0.000 2.469 83 S HA -0.232 4.278 4.470 0.066 0.000 0.238 83 S C 0.950 175.660 174.600 0.183 0.000 0.998 83 S CA 1.452 59.780 58.200 0.213 0.000 0.957 83 S CB -0.490 62.806 63.200 0.159 0.000 0.764 83 S HN 0.617 nan 8.310 nan 0.000 0.514 84 D N 0.205 120.733 120.400 0.214 0.000 2.328 84 D HA 0.279 4.959 4.640 0.066 0.000 0.226 84 D C 1.395 177.783 176.300 0.148 0.000 1.066 84 D CA 0.504 54.593 54.000 0.149 0.000 0.861 84 D CB -0.574 40.295 40.800 0.115 0.000 0.912 84 D HN 0.521 nan 8.370 nan 0.000 0.521 85 G N 0.168 109.076 108.800 0.180 0.000 2.199 85 G HA2 -0.279 3.720 3.960 0.066 0.000 0.254 85 G HA3 -0.279 3.720 3.960 0.066 0.000 0.254 85 G C 0.534 175.543 174.900 0.181 0.000 0.982 85 G CA 0.485 45.679 45.100 0.157 0.000 0.632 85 G HN 0.803 nan 8.290 nan 0.000 0.529 86 T N 0.221 114.915 114.554 0.232 0.000 2.904 86 T HA 0.618 5.007 4.350 0.066 0.000 0.290 86 T C -2.198 172.712 174.700 0.350 0.000 1.018 86 T CA -1.327 60.922 62.100 0.249 0.000 1.075 86 T CB 2.186 71.177 68.868 0.204 0.000 0.986 86 T HN 0.123 nan 8.240 nan 0.000 0.523 87 P HA 0.258 nan 4.420 nan 0.000 0.271 87 P C -0.643 176.856 177.300 0.331 0.000 1.218 87 P CA -0.538 62.721 63.100 0.264 0.000 0.780 87 P CB 0.391 32.232 31.700 0.234 0.000 0.901 88 V N 2.960 122.963 119.914 0.148 0.000 2.383 88 V HA 0.353 4.512 4.120 0.066 0.000 0.275 88 V C 0.928 177.137 176.094 0.191 0.000 1.036 88 V CA 0.071 62.406 62.300 0.058 0.000 0.889 88 V CB 0.571 32.256 31.823 -0.230 0.000 0.985 88 V HN 0.764 nan 8.190 nan 0.000 0.459 89 T N 2.012 116.705 114.554 0.233 0.000 2.927 89 T HA 0.680 5.069 4.350 0.066 0.000 0.286 89 T C 1.154 175.934 174.700 0.134 0.000 1.040 89 T CA -0.038 62.146 62.100 0.139 0.000 1.010 89 T CB 1.994 70.938 68.868 0.128 0.000 1.177 89 T HN 0.560 nan 8.240 nan 0.000 0.546 90 A N -0.099 122.693 122.820 -0.047 0.000 2.019 90 A HA -0.066 4.293 4.320 0.066 0.000 0.219 90 A C 2.109 179.657 177.584 -0.060 0.000 1.164 90 A CA 1.203 53.206 52.037 -0.057 0.000 0.644 90 A CB -1.274 17.676 19.000 -0.082 0.000 0.805 90 A HN 0.945 nan 8.150 nan 0.000 0.449 91 H N 0.276 119.430 119.070 0.140 0.000 2.421 91 H HA -0.099 4.497 4.556 0.066 0.000 0.298 91 H C 1.306 176.716 175.328 0.136 0.000 1.087 91 H CA 1.422 57.549 56.048 0.132 0.000 1.330 91 H CB -0.266 29.547 29.762 0.085 0.000 1.388 91 H HN 0.479 nan 8.280 nan 0.000 0.526 92 D N 0.490 121.017 120.400 0.211 0.000 2.117 92 D HA -0.121 4.558 4.640 0.066 0.000 0.197 92 D C 2.047 178.340 176.300 -0.011 0.000 0.987 92 D CA 0.803 54.892 54.000 0.149 0.000 0.829 92 D CB -0.421 40.502 40.800 0.205 0.000 0.961 92 D HN 0.259 nan 8.370 nan 0.000 0.460 93 F N 0.736 120.575 119.950 -0.184 0.000 2.186 93 F HA -0.137 4.429 4.527 0.065 0.000 0.299 93 F C 2.519 178.092 175.800 -0.378 0.000 1.090 93 F CA 0.406 58.046 58.000 -0.600 0.000 1.307 93 F CB -0.530 37.486 39.000 -1.640 0.000 1.019 93 F HN -0.186 nan 8.300 nan 0.000 0.489 94 V N -0.616 119.370 119.914 0.119 0.000 2.261 94 V HA -0.346 3.814 4.120 0.066 0.000 0.246 94 V C 2.086 178.339 176.094 0.265 0.000 1.047 94 V CA 2.143 64.629 62.300 0.309 0.000 1.015 94 V CB -0.903 31.115 31.823 0.325 0.000 0.642 94 V HN 0.418 nan 8.190 nan 0.000 0.446 95 Y N 1.438 121.818 120.300 0.134 0.000 2.097 95 Y HA -0.274 4.315 4.550 0.065 0.000 0.282 95 Y C 2.734 178.719 175.900 0.141 0.000 1.152 95 Y CA 2.041 60.205 58.100 0.106 0.000 1.136 95 Y CB -0.537 37.955 38.460 0.052 0.000 0.975 95 Y HN 0.221 nan 8.280 nan 0.000 0.498 96 S N -0.381 115.374 115.700 0.092 0.000 2.356 96 S HA -0.214 4.295 4.470 0.066 0.000 0.223 96 S C 1.532 176.287 174.600 0.259 0.000 1.032 96 S CA 1.541 59.830 58.200 0.149 0.000 1.005 96 S CB -0.724 62.620 63.200 0.240 0.000 0.867 96 S HN 0.658 nan 8.310 nan 0.000 0.449 97 W N 2.148 123.476 121.300 0.046 0.000 2.402 97 W HA 0.070 4.768 4.660 0.063 0.000 0.286 97 W C 2.443 178.935 176.519 -0.045 0.000 1.221 97 W CA -0.070 57.311 57.345 0.059 0.000 1.257 97 W CB -1.038 28.564 29.460 0.237 0.000 1.120 97 W HN 0.409 nan 8.180 nan 0.000 0.551 98 Q N -0.175 119.718 119.800 0.156 0.000 2.079 98 Q HA -0.180 4.199 4.340 0.066 0.000 0.200 98 Q C 2.308 178.231 176.000 -0.128 0.000 0.974 98 Q CA 1.586 57.405 55.803 0.026 0.000 0.840 98 Q CB -0.397 28.358 28.738 0.029 0.000 0.898 98 Q HN 0.248 nan 8.270 nan 0.000 0.430 99 R N 0.526 120.848 120.500 -0.295 0.000 2.096 99 R HA -0.168 4.211 4.340 0.066 0.000 0.235 99 R C 2.199 178.235 176.300 -0.440 0.000 1.127 99 R CA 0.943 56.817 56.100 -0.376 0.000 0.968 99 R CB -0.207 29.797 30.300 -0.492 0.000 0.861 99 R HN 0.218 nan 8.270 nan 0.000 0.440 100 L N 0.628 121.466 121.223 -0.640 0.000 2.046 100 L HA -0.059 4.320 4.340 0.066 0.000 0.208 100 L C 2.199 178.915 176.870 -0.257 0.000 1.077 100 L CA 2.222 56.701 54.840 -0.602 0.000 0.747 100 L CB -0.632 41.126 42.059 -0.502 0.000 0.896 100 L HN 0.239 nan 8.230 nan 0.000 0.432 101 A N -1.391 121.334 122.820 -0.158 0.000 1.968 101 A HA -0.127 4.233 4.320 0.066 0.000 0.217 101 A C 1.046 178.587 177.584 -0.070 0.000 1.169 101 A CA 0.726 52.715 52.037 -0.081 0.000 0.638 101 A CB -0.776 18.213 19.000 -0.018 0.000 0.812 101 A HN 0.510 nan 8.150 nan 0.000 0.446 102 D N 0.060 120.409 120.400 -0.084 0.000 2.434 102 D HA 0.106 4.785 4.640 0.066 0.000 0.252 102 D C -1.519 174.750 176.300 -0.053 0.000 1.185 102 D CA -1.774 52.191 54.000 -0.059 0.000 0.886 102 D CB 1.028 41.788 40.800 -0.068 0.000 1.148 102 D HN 0.044 nan 8.370 nan 0.000 0.483 103 P HA -0.169 nan 4.420 nan 0.000 0.217 103 P C 1.072 178.358 177.300 -0.024 0.000 1.148 103 P CA 1.051 64.134 63.100 -0.028 0.000 0.828 103 P CB 0.120 31.809 31.700 -0.017 0.000 0.783 104 N N -0.825 117.865 118.700 -0.018 0.000 2.205 104 N HA -0.134 4.645 4.740 0.066 0.000 0.186 104 N C 1.279 176.785 175.510 -0.007 0.000 1.015 104 N CA 1.841 54.886 53.050 -0.009 0.000 0.862 104 N CB -0.793 37.693 38.487 -0.003 0.000 0.986 104 N HN 0.013 nan 8.380 nan 0.000 0.429 105 T N -0.085 114.457 114.554 -0.021 0.000 2.951 105 T HA 0.137 4.526 4.350 0.066 0.000 0.268 105 T C 0.966 175.661 174.700 -0.009 0.000 1.073 105 T CA 0.852 62.946 62.100 -0.011 0.000 1.134 105 T CB -0.602 68.237 68.868 -0.049 0.000 0.884 105 T HN 0.500 nan 8.240 nan 0.000 0.479 106 A N 1.703 124.506 122.820 -0.028 0.000 2.687 106 A HA -0.150 4.209 4.320 0.066 0.000 0.299 106 A C 0.910 178.465 177.584 -0.048 0.000 1.497 106 A CA 0.661 52.674 52.037 -0.040 0.000 0.751 106 A CB -2.237 16.743 19.000 -0.033 0.000 1.048 106 A HN 0.515 nan 8.150 nan 0.000 0.464 107 S N 0.200 115.876 115.700 -0.041 0.000 2.564 107 S HA 0.488 4.997 4.470 0.066 0.000 0.278 107 S C -0.196 174.371 174.600 -0.055 0.000 1.333 107 S CA -0.669 57.521 58.200 -0.016 0.000 1.048 107 S CB 0.670 63.871 63.200 0.002 0.000 0.900 107 S HN 0.422 nan 8.310 nan 0.000 0.505 108 P HA -0.012 nan 4.420 nan 0.000 0.226 108 P C -0.021 177.193 177.300 -0.144 0.000 1.153 108 P CA 0.947 63.943 63.100 -0.173 0.000 0.777 108 P CB -0.039 31.544 31.700 -0.194 0.000 0.794 109 Y N -0.633 119.661 120.300 -0.009 0.000 2.708 109 Y HA 0.468 5.058 4.550 0.067 0.000 0.287 109 Y C 2.166 178.020 175.900 -0.077 0.000 1.145 109 Y CA -0.444 57.652 58.100 -0.006 0.000 1.249 109 Y CB -0.531 37.943 38.460 0.023 0.000 1.152 109 Y HN -0.069 nan 8.280 nan 0.000 0.532 110 A N -0.752 122.074 122.820 0.010 0.000 1.940 110 A HA -0.187 4.173 4.320 0.066 0.000 0.219 110 A C 2.322 179.840 177.584 -0.108 0.000 1.176 110 A CA 2.205 54.208 52.037 -0.056 0.000 0.631 110 A CB -0.608 18.351 19.000 -0.068 0.000 0.814 110 A HN 0.327 nan 8.150 nan 0.000 0.446 111 S N -1.819 113.779 115.700 -0.169 0.000 2.507 111 S HA -0.089 4.421 4.470 0.066 0.000 0.235 111 S C 1.516 175.624 174.600 -0.819 0.000 0.988 111 S CA 0.734 58.706 58.200 -0.381 0.000 0.944 111 S CB -0.511 62.504 63.200 -0.308 0.000 0.762 111 S HN 0.638 nan 8.310 nan 0.000 0.526 112 Y N 2.182 122.102 120.300 -0.633 0.000 2.256 112 Y HA -0.075 4.513 4.550 0.064 0.000 0.288 112 Y C 1.692 177.356 175.900 -0.394 0.000 1.155 112 Y CA 1.062 58.834 58.100 -0.546 0.000 1.203 112 Y CB -0.308 38.013 38.460 -0.231 0.000 0.980 112 Y HN 0.224 nan 8.280 nan 0.000 0.530 113 L N -0.701 120.377 121.223 -0.241 0.000 2.291 113 L HA -0.191 4.188 4.340 0.066 0.000 0.214 113 L C 2.200 178.952 176.870 -0.197 0.000 1.120 113 L CA 0.957 55.680 54.840 -0.194 0.000 0.799 113 L CB -0.428 41.564 42.059 -0.113 0.000 0.925 113 L HN 0.252 nan 8.230 nan 0.000 0.446 114 Q N -1.015 118.631 119.800 -0.257 0.000 2.137 114 Q HA -0.149 4.231 4.340 0.066 0.000 0.198 114 Q C 2.110 177.901 176.000 -0.347 0.000 0.960 114 Q CA 1.184 56.852 55.803 -0.225 0.000 0.847 114 Q CB -0.053 28.619 28.738 -0.111 0.000 0.915 114 Q HN 0.428 nan 8.270 nan 0.000 0.448 115 Y N -0.169 119.938 120.300 -0.322 0.000 2.224 115 Y HA -0.076 4.513 4.550 0.065 0.000 0.289 115 Y C 2.363 178.042 175.900 -0.368 0.000 1.146 115 Y CA 1.141 59.059 58.100 -0.304 0.000 1.182 115 Y CB -1.052 37.298 38.460 -0.184 0.000 0.983 115 Y HN 0.136 nan 8.280 nan 0.000 0.524 116 G N -2.265 106.416 108.800 -0.199 0.000 2.880 116 G HA2 -0.062 3.938 3.960 0.066 0.000 0.209 116 G HA3 -0.062 3.938 3.960 0.066 0.000 0.209 116 G C 0.018 174.934 174.900 0.027 0.000 1.157 116 G CA 0.289 45.398 45.100 0.016 0.000 0.779 116 G HN 0.597 nan 8.290 nan 0.000 0.539 117 H N -1.111 117.976 119.070 0.029 0.000 2.839 117 H HA -0.129 4.466 4.556 0.065 0.000 0.298 117 H C 0.101 175.420 175.328 -0.016 0.000 1.224 117 H CA 0.535 56.589 56.048 0.010 0.000 1.144 117 H CB -1.939 27.826 29.762 0.003 0.000 1.372 117 H HN 0.278 nan 8.280 nan 0.000 0.408 118 I N 0.801 121.402 120.570 0.050 0.000 2.710 118 I HA 0.104 4.313 4.170 0.066 0.000 0.286 118 I C 1.410 177.571 176.117 0.073 0.000 1.181 118 I CA 0.812 62.154 61.300 0.071 0.000 1.430 118 I CB 0.528 38.621 38.000 0.155 0.000 1.367 118 I HN 0.416 nan 8.210 nan 0.000 0.577 119 A N 5.720 128.578 122.820 0.062 0.000 2.565 119 A HA 0.117 4.476 4.320 0.066 0.000 0.237 119 A C 1.103 178.721 177.584 0.058 0.000 1.053 119 A CA 0.090 52.160 52.037 0.055 0.000 0.755 119 A CB -0.308 18.715 19.000 0.039 0.000 0.980 119 A HN 0.904 nan 8.150 nan 0.000 0.506 120 N N -0.437 118.294 118.700 0.051 0.000 2.909 120 N HA -0.219 4.560 4.740 0.066 0.000 0.242 120 N C 0.564 176.099 175.510 0.042 0.000 0.975 120 N CA 1.197 54.274 53.050 0.045 0.000 0.921 120 N CB -1.470 37.043 38.487 0.042 0.000 1.112 120 N HN 0.789 nan 8.380 nan 0.000 0.581 121 I N 1.680 122.276 120.570 0.044 0.000 2.226 121 I HA -0.183 4.027 4.170 0.066 0.000 0.245 121 I C 1.676 177.804 176.117 0.018 0.000 1.100 121 I CA 1.848 63.164 61.300 0.027 0.000 1.374 121 I CB -0.118 37.888 38.000 0.009 0.000 1.057 121 I HN 0.056 nan 8.210 nan 0.000 0.413 122 D N 0.653 121.071 120.400 0.029 0.000 2.104 122 D HA -0.192 4.487 4.640 0.066 0.000 0.194 122 D C 1.852 178.165 176.300 0.022 0.000 0.994 122 D CA 1.551 55.567 54.000 0.028 0.000 0.830 122 D CB -0.436 40.390 40.800 0.042 0.000 0.959 122 D HN 0.384 nan 8.370 nan 0.000 0.452 123 D N -0.008 120.406 120.400 0.024 0.000 2.144 123 D HA -0.051 4.628 4.640 0.066 0.000 0.200 123 D C 2.280 178.590 176.300 0.016 0.000 0.978 123 D CA 0.302 54.315 54.000 0.020 0.000 0.833 123 D CB -0.185 40.628 40.800 0.022 0.000 0.961 123 D HN 0.264 nan 8.370 nan 0.000 0.470 124 I N 0.537 121.117 120.570 0.016 0.000 2.202 124 I HA -0.213 3.996 4.170 0.066 0.000 0.242 124 I C 2.337 178.455 176.117 0.001 0.000 1.091 124 I CA 0.714 62.021 61.300 0.011 0.000 1.368 124 I CB -0.102 37.907 38.000 0.015 0.000 1.058 124 I HN -0.047 nan 8.210 nan 0.000 0.410 125 I N 0.800 121.368 120.570 -0.002 0.000 2.286 125 I HA -0.267 3.942 4.170 0.066 0.000 0.248 125 I C 2.523 178.638 176.117 -0.004 0.000 1.115 125 I CA 1.301 62.595 61.300 -0.010 0.000 1.392 125 I CB -0.384 37.607 38.000 -0.015 0.000 1.065 125 I HN 0.184 nan 8.210 nan 0.000 0.418 126 A N 0.181 123.003 122.820 0.003 0.000 2.206 126 A HA 0.226 4.586 4.320 0.066 0.000 0.211 126 A C 1.893 179.480 177.584 0.005 0.000 1.158 126 A CA 0.866 52.906 52.037 0.005 0.000 0.761 126 A CB -0.634 18.372 19.000 0.010 0.000 0.801 126 A HN 0.585 nan 8.150 nan 0.000 0.473 127 G N -0.617 108.185 108.800 0.004 0.000 2.143 127 G HA2 -0.296 3.703 3.960 0.066 0.000 0.249 127 G HA3 -0.296 3.703 3.960 0.066 0.000 0.249 127 G C 0.872 175.777 174.900 0.008 0.000 0.981 127 G CA 0.809 45.912 45.100 0.005 0.000 0.665 127 G HN 0.553 nan 8.290 nan 0.000 0.528 128 K N -0.513 119.893 120.400 0.010 0.000 2.243 128 K HA 0.126 4.486 4.320 0.066 0.000 0.201 128 K C 1.096 177.704 176.600 0.013 0.000 1.051 128 K CA 0.746 57.040 56.287 0.011 0.000 0.970 128 K CB 0.218 32.725 32.500 0.013 0.000 0.755 128 K HN 0.328 nan 8.250 nan 0.000 0.465 129 K N 0.907 121.315 120.400 0.015 0.000 2.435 129 K HA 0.317 4.676 4.320 0.066 0.000 0.251 129 K C -2.781 173.829 176.600 0.017 0.000 0.954 129 K CA -2.305 53.993 56.287 0.017 0.000 0.820 129 K CB 2.034 34.546 32.500 0.021 0.000 1.292 129 K HN -0.193 nan 8.250 nan 0.000 0.436 130 P HA 0.026 nan 4.420 nan 0.000 0.272 130 P C -0.087 177.228 177.300 0.025 0.000 1.223 130 P CA -0.044 63.068 63.100 0.021 0.000 0.784 130 P CB 0.869 32.584 31.700 0.024 0.000 0.923 131 A N 2.263 125.096 122.820 0.022 0.000 2.070 131 A HA -0.132 4.227 4.320 0.066 0.000 0.220 131 A C 1.792 179.404 177.584 0.047 0.000 1.159 131 A CA 2.039 54.092 52.037 0.026 0.000 0.656 131 A CB -1.777 17.226 19.000 0.005 0.000 0.800 131 A HN 0.667 nan 8.150 nan 0.000 0.453 132 T N -2.916 111.668 114.554 0.050 0.000 3.098 132 T HA -0.056 4.333 4.350 0.066 0.000 0.266 132 T C 0.831 175.568 174.700 0.061 0.000 1.145 132 T CA 1.284 63.422 62.100 0.064 0.000 1.092 132 T CB -0.261 68.642 68.868 0.059 0.000 0.908 132 T HN 0.305 nan 8.240 nan 0.000 0.526 133 D N 0.347 120.778 120.400 0.051 0.000 2.349 133 D HA 0.216 4.896 4.640 0.066 0.000 0.215 133 D C 0.471 176.805 176.300 0.057 0.000 1.016 133 D CA -0.234 53.794 54.000 0.047 0.000 0.870 133 D CB -0.293 40.529 40.800 0.037 0.000 0.917 133 D HN 0.318 nan 8.370 nan 0.000 0.524 134 L N 0.616 121.883 121.223 0.073 0.000 2.514 134 L HA 0.191 4.570 4.340 0.066 0.000 0.280 134 L C 1.332 178.258 176.870 0.093 0.000 1.223 134 L CA 0.250 55.148 54.840 0.096 0.000 0.864 134 L CB 0.717 42.858 42.059 0.138 0.000 1.118 134 L HN 0.036 nan 8.230 nan 0.000 0.494 135 G N 5.322 114.175 108.800 0.088 0.000 3.263 135 G HA2 0.380 4.380 3.960 0.066 0.000 0.246 135 G HA3 0.380 4.380 3.960 0.066 0.000 0.246 135 G C -0.380 174.539 174.900 0.032 0.000 0.982 135 G CA 0.432 45.566 45.100 0.056 0.000 1.897 135 G HN 0.748 nan 8.290 nan 0.000 0.624 136 V N -2.159 117.770 119.914 0.024 0.000 2.876 136 V HA 0.970 5.130 4.120 0.066 0.000 0.312 136 V C -0.694 175.362 176.094 -0.062 0.000 1.085 136 V CA -1.446 60.788 62.300 -0.109 0.000 0.945 136 V CB 2.042 33.863 31.823 -0.003 0.000 1.017 136 V HN 0.513 nan 8.190 nan 0.000 0.428 137 K N 2.683 122.982 120.400 -0.170 0.000 2.568 137 K HA 0.882 5.242 4.320 0.066 0.000 0.273 137 K C -1.085 175.518 176.600 0.007 0.000 0.951 137 K CA -0.476 55.802 56.287 -0.014 0.000 0.854 137 K CB 2.334 34.830 32.500 -0.007 0.000 1.424 137 K HN 1.380 nan 8.250 nan 0.000 0.427 138 A N 3.186 126.060 122.820 0.091 0.000 2.260 138 A HA 0.382 4.742 4.320 0.066 0.000 0.312 138 A C 0.640 178.240 177.584 0.026 0.000 1.321 138 A CA -0.939 51.114 52.037 0.026 0.000 0.928 138 A CB -0.177 18.696 19.000 -0.213 0.000 1.158 138 A HN 0.785 nan 8.150 nan 0.000 0.542 139 L N 1.009 122.238 121.223 0.011 0.000 2.240 139 L HA 0.098 4.477 4.340 0.066 0.000 0.211 139 L C 0.462 177.359 176.870 0.044 0.000 1.106 139 L CA 0.931 55.787 54.840 0.027 0.000 0.793 139 L CB -0.458 41.611 42.059 0.017 0.000 0.927 139 L HN 0.930 nan 8.230 nan 0.000 0.446 140 D N -4.683 115.730 120.400 0.021 0.000 2.779 140 D HA 0.049 4.728 4.640 0.066 0.000 0.331 140 D C -0.053 176.192 176.300 -0.092 0.000 1.331 140 D CA -0.624 53.393 54.000 0.029 0.000 0.866 140 D CB 0.197 41.032 40.800 0.058 0.000 1.409 140 D HN -0.345 nan 8.370 nan 0.000 0.486 141 D N -1.436 118.897 120.400 -0.111 0.000 2.221 141 D HA -0.098 4.581 4.640 0.066 0.000 0.204 141 D C 0.534 176.544 176.300 -0.483 0.000 0.982 141 D CA 1.259 55.066 54.000 -0.322 0.000 0.857 141 D CB -0.059 40.503 40.800 -0.396 0.000 0.934 141 D HN 0.396 nan 8.370 nan 0.000 0.475 142 H N -1.226 117.866 119.070 0.037 0.000 2.512 142 H HA 0.300 4.895 4.556 0.066 0.000 0.276 142 H C -0.197 175.168 175.328 0.061 0.000 1.126 142 H CA 0.107 56.184 56.048 0.048 0.000 1.060 142 H CB 0.406 30.203 29.762 0.058 0.000 1.646 142 H HN -0.123 nan 8.280 nan 0.000 0.571 143 T N 1.402 116.014 114.554 0.096 0.000 2.949 143 T HA 0.208 4.597 4.350 0.066 0.000 0.300 143 T C -1.117 173.639 174.700 0.092 0.000 0.988 143 T CA -0.516 61.630 62.100 0.076 0.000 0.993 143 T CB 1.235 70.143 68.868 0.067 0.000 0.984 143 T HN 0.051 nan 8.240 nan 0.000 0.442 144 F N 3.072 122.981 119.950 -0.069 0.000 2.426 144 F HA 0.545 5.111 4.527 0.065 0.000 0.348 144 F C 0.076 175.901 175.800 0.041 0.000 1.124 144 F CA -1.177 56.780 58.000 -0.072 0.000 1.008 144 F CB 1.006 39.882 39.000 -0.207 0.000 1.139 144 F HN 0.509 nan 8.300 nan 0.000 0.452 145 E N 5.711 125.678 120.200 -0.387 0.000 2.158 145 E HA 0.540 4.929 4.350 0.066 0.000 0.271 145 E C -1.755 174.577 176.600 -0.447 0.000 0.911 145 E CA -0.683 55.544 56.400 -0.289 0.000 0.767 145 E CB 1.719 31.323 29.700 -0.159 0.000 1.120 145 E HN 0.492 nan 8.360 nan 0.000 0.405 146 V N 3.724 123.516 119.914 -0.204 0.000 2.417 146 V HA 0.345 4.504 4.120 0.066 0.000 0.291 146 V C -0.169 175.927 176.094 0.004 0.000 1.024 146 V CA -0.624 61.611 62.300 -0.109 0.000 0.861 146 V CB 1.861 33.773 31.823 0.148 0.000 0.985 146 V HN 0.706 nan 8.190 nan 0.000 0.436 147 T N 6.572 121.115 114.554 -0.018 0.000 2.770 147 T HA 0.632 5.022 4.350 0.066 0.000 0.283 147 T C -0.243 174.454 174.700 -0.005 0.000 0.988 147 T CA -0.284 61.813 62.100 -0.004 0.000 0.957 147 T CB 0.736 69.597 68.868 -0.013 0.000 0.930 147 T HN 0.350 nan 8.240 nan 0.000 0.443 148 L N 2.007 123.223 121.223 -0.012 0.000 2.387 148 L HA 0.446 4.825 4.340 0.066 0.000 0.266 148 L C 1.629 178.511 176.870 0.021 0.000 1.059 148 L CA -0.827 54.003 54.840 -0.016 0.000 0.801 148 L CB 1.198 43.220 42.059 -0.062 0.000 1.223 148 L HN 0.715 nan 8.230 nan 0.000 0.456 149 S N -1.028 114.698 115.700 0.044 0.000 2.558 149 S HA 0.063 4.572 4.470 0.066 0.000 0.217 149 S C 0.193 174.793 174.600 -0.000 0.000 0.975 149 S CA -0.137 58.081 58.200 0.031 0.000 0.912 149 S CB -0.326 62.907 63.200 0.055 0.000 0.776 149 S HN 0.784 nan 8.310 nan 0.000 0.526 150 E N -0.495 119.698 120.200 -0.013 0.000 2.416 150 E HA 0.425 4.814 4.350 0.066 0.000 0.280 150 E C -3.560 173.046 176.600 0.009 0.000 1.055 150 E CA -2.612 53.768 56.400 -0.033 0.000 0.825 150 E CB 0.290 29.922 29.700 -0.114 0.000 1.312 150 E HN -0.068 nan 8.360 nan 0.000 0.452 151 P HA 0.093 nan 4.420 nan 0.000 0.267 151 P C -0.635 176.714 177.300 0.082 0.000 1.209 151 P CA -0.222 62.971 63.100 0.155 0.000 0.763 151 P CB 0.583 32.410 31.700 0.211 0.000 0.816 152 V N 6.825 126.821 119.914 0.136 0.000 2.380 152 V HA 0.167 4.327 4.120 0.066 0.000 0.272 152 V C -1.635 174.430 176.094 -0.048 0.000 1.011 152 V CA -1.351 60.875 62.300 -0.124 0.000 0.826 152 V CB 1.534 33.251 31.823 -0.177 0.000 1.040 152 V HN 0.387 nan 8.190 nan 0.000 0.441 153 P HA -0.149 nan 4.420 nan 0.000 0.218 153 P C 1.017 178.391 177.300 0.124 0.000 1.148 153 P CA 1.428 64.295 63.100 -0.389 0.000 0.822 153 P CB -0.024 31.294 31.700 -0.637 0.000 0.784 154 Y N -4.408 115.951 120.300 0.097 0.000 2.470 154 Y HA 0.332 4.921 4.550 0.065 0.000 0.284 154 Y C 1.780 177.537 175.900 -0.238 0.000 1.188 154 Y CA -1.106 56.969 58.100 -0.042 0.000 1.269 154 Y CB -1.499 36.931 38.460 -0.051 0.000 1.094 154 Y HN -0.211 nan 8.280 nan 0.000 0.518 155 F N 2.528 122.193 119.950 -0.474 0.000 2.063 155 F HA -0.330 4.238 4.527 0.069 0.000 0.298 155 F C 2.446 177.879 175.800 -0.612 0.000 1.109 155 F CA 1.963 59.570 58.000 -0.655 0.000 1.212 155 F CB -0.933 37.479 39.000 -0.981 0.000 0.973 155 F HN 0.323 nan 8.300 nan 0.000 0.480 156 Y N 0.114 119.996 120.300 -0.697 0.000 2.256 156 Y HA -0.146 4.440 4.550 0.061 0.000 0.288 156 Y C 2.055 177.755 175.900 -0.333 0.000 1.155 156 Y CA 1.522 59.306 58.100 -0.526 0.000 1.203 156 Y CB -1.502 36.856 38.460 -0.170 0.000 0.980 156 Y HN 0.061 nan 8.280 nan 0.000 0.530 157 K N 0.219 120.021 120.400 -0.998 0.000 2.152 157 K HA -0.116 4.243 4.320 0.066 0.000 0.206 157 K C 1.722 178.140 176.600 -0.303 0.000 1.048 157 K CA 1.529 57.490 56.287 -0.545 0.000 0.933 157 K CB -0.294 31.957 32.500 -0.415 0.000 0.721 157 K HN 0.287 nan 8.250 nan 0.000 0.447 158 L N 0.748 121.656 121.223 -0.525 0.000 2.201 158 L HA -0.109 4.270 4.340 0.066 0.000 0.212 158 L C 1.751 178.549 176.870 -0.120 0.000 1.105 158 L CA 1.272 55.861 54.840 -0.418 0.000 0.775 158 L CB -0.305 41.264 42.059 -0.818 0.000 0.913 158 L HN 0.144 nan 8.230 nan 0.000 0.440 159 L N -1.582 119.482 121.223 -0.265 0.000 2.549 159 L HA -0.099 4.281 4.340 0.066 0.000 0.229 159 L C 1.812 178.685 176.870 0.005 0.000 1.158 159 L CA 0.069 54.820 54.840 -0.149 0.000 0.842 159 L CB -0.495 41.381 42.059 -0.305 0.000 0.952 159 L HN 0.086 nan 8.230 nan 0.000 0.452 160 V N -1.922 118.028 119.914 0.061 0.000 3.541 160 V HA -0.065 4.094 4.120 0.066 0.000 0.267 160 V C 1.274 177.434 176.094 0.110 0.000 1.213 160 V CA 0.232 62.608 62.300 0.126 0.000 1.149 160 V CB -0.947 30.973 31.823 0.161 0.000 0.822 160 V HN 0.401 nan 8.190 nan 0.000 0.462 161 H N 1.415 120.456 119.070 -0.048 0.000 2.629 161 H HA 0.105 4.699 4.556 0.064 0.000 0.357 161 H C -1.610 173.571 175.328 -0.245 0.000 1.121 161 H CA -1.520 54.394 56.048 -0.223 0.000 1.406 161 H CB 2.121 31.597 29.762 -0.478 0.000 1.456 161 H HN 0.023 nan 8.280 nan 0.000 0.579 162 P HA -0.187 nan 4.420 nan 0.000 0.216 162 P C 1.591 178.679 177.300 -0.353 0.000 1.150 162 P CA 1.937 64.754 63.100 -0.472 0.000 0.837 162 P CB 0.079 31.484 31.700 -0.492 0.000 0.786 163 S N -0.645 114.790 115.700 -0.441 0.000 2.419 163 S HA -0.116 4.393 4.470 0.066 0.000 0.235 163 S C 1.581 176.136 174.600 -0.074 0.000 1.019 163 S CA 1.548 59.642 58.200 -0.178 0.000 0.982 163 S CB -1.683 61.358 63.200 -0.265 0.000 0.789 163 S HN 0.155 nan 8.310 nan 0.000 0.490 164 V N -0.971 118.880 119.914 -0.106 0.000 3.342 164 V HA 0.424 4.584 4.120 0.066 0.000 0.322 164 V C 0.399 176.708 176.094 0.359 0.000 1.370 164 V CA -0.617 61.661 62.300 -0.036 0.000 1.170 164 V CB -0.767 30.904 31.823 -0.253 0.000 1.101 164 V HN 0.279 nan 8.190 nan 0.000 0.442 165 S N 3.097 118.901 115.700 0.175 0.000 2.617 165 S HA 0.495 5.004 4.470 0.066 0.000 0.269 165 S C -2.286 172.336 174.600 0.038 0.000 1.292 165 S CA -0.579 57.722 58.200 0.168 0.000 1.010 165 S CB 1.148 64.409 63.200 0.101 0.000 0.944 165 S HN 0.479 nan 8.310 nan 0.000 0.536 166 P HA 0.340 nan 4.420 nan 0.000 0.282 166 P C -1.025 176.339 177.300 0.107 0.000 1.249 166 P CA -0.455 62.507 63.100 -0.230 0.000 0.806 166 P CB 0.787 32.123 31.700 -0.607 0.000 0.984 167 V N -1.195 118.770 119.914 0.085 0.000 2.823 167 V HA 0.628 4.787 4.120 0.066 0.000 0.312 167 V C -2.681 173.320 176.094 -0.156 0.000 1.072 167 V CA -3.103 59.152 62.300 -0.075 0.000 0.937 167 V CB 1.740 33.325 31.823 -0.396 0.000 1.013 167 V HN 0.336 nan 8.190 nan 0.000 0.430 168 P HA 0.234 nan 4.420 nan 0.000 0.277 168 P C 0.365 177.299 177.300 -0.609 0.000 1.354 168 P CA -0.162 62.466 63.100 -0.787 0.000 0.891 168 P CB 1.246 32.433 31.700 -0.856 0.000 1.058 169 K N 3.426 123.453 120.400 -0.623 0.000 2.044 169 K HA -0.216 4.144 4.320 0.066 0.000 0.210 169 K C 1.931 178.225 176.600 -0.510 0.000 1.049 169 K CA 2.438 58.224 56.287 -0.835 0.000 0.927 169 K CB -0.315 31.413 32.500 -1.288 0.000 0.713 169 K HN 0.442 nan 8.250 nan 0.000 0.443 170 S N 0.420 115.874 115.700 -0.409 0.000 2.359 170 S HA -0.219 4.291 4.470 0.066 0.000 0.223 170 S C 2.212 176.703 174.600 -0.182 0.000 1.039 170 S CA 1.419 59.459 58.200 -0.265 0.000 1.042 170 S CB -0.695 62.376 63.200 -0.215 0.000 0.915 170 S HN 0.447 nan 8.310 nan 0.000 0.439 171 A N 1.384 124.125 122.820 -0.132 0.000 1.898 171 A HA 0.108 4.467 4.320 0.066 0.000 0.216 171 A C 2.488 180.120 177.584 0.080 0.000 1.181 171 A CA 1.566 53.692 52.037 0.149 0.000 0.620 171 A CB -1.170 17.972 19.000 0.236 0.000 0.819 171 A HN 0.487 nan 8.150 nan 0.000 0.442 172 V N 0.244 119.964 119.914 -0.323 0.000 2.287 172 V HA -0.298 3.862 4.120 0.066 0.000 0.248 172 V C 2.448 178.478 176.094 -0.106 0.000 1.053 172 V CA 2.402 64.465 62.300 -0.396 0.000 1.027 172 V CB -0.878 30.616 31.823 -0.549 0.000 0.646 172 V HN 0.635 nan 8.190 nan 0.000 0.447 173 E N -0.192 119.923 120.200 -0.142 0.000 2.072 173 E HA -0.260 4.129 4.350 0.066 0.000 0.191 173 E C 2.281 178.794 176.600 -0.145 0.000 0.985 173 E CA 1.399 57.731 56.400 -0.112 0.000 0.801 173 E CB -0.121 29.494 29.700 -0.141 0.000 0.750 173 E HN 0.547 nan 8.360 nan 0.000 0.452 174 K N 0.157 120.406 120.400 -0.251 0.000 2.062 174 K HA -0.094 4.266 4.320 0.066 0.000 0.205 174 K C 1.316 177.565 176.600 -0.584 0.000 1.051 174 K CA 1.189 57.168 56.287 -0.513 0.000 0.941 174 K CB 0.062 32.059 32.500 -0.839 0.000 0.719 174 K HN 0.015 nan 8.250 nan 0.000 0.440 175 F N 0.172 120.167 119.950 0.074 0.000 2.721 175 F HA 0.320 4.887 4.527 0.066 0.000 0.301 175 F C 1.399 177.289 175.800 0.149 0.000 1.096 175 F CA 0.246 58.317 58.000 0.118 0.000 1.308 175 F CB 0.339 39.439 39.000 0.168 0.000 1.086 175 F HN 0.305 nan 8.300 nan 0.000 0.587 176 G N 1.027 109.984 108.800 0.262 0.000 2.574 176 G HA2 -0.340 3.660 3.960 0.066 0.000 0.286 176 G HA3 -0.340 3.660 3.960 0.066 0.000 0.286 176 G C 0.798 175.930 174.900 0.387 0.000 1.212 176 G CA 0.473 45.719 45.100 0.244 0.000 0.979 176 G HN 0.259 nan 8.290 nan 0.000 0.557 177 D N 0.926 121.490 120.400 0.274 0.000 2.350 177 D HA -0.021 4.659 4.640 0.066 0.000 0.216 177 D C 1.959 178.355 176.300 0.161 0.000 0.968 177 D CA 1.047 55.190 54.000 0.239 0.000 0.894 177 D CB 0.026 40.910 40.800 0.141 0.000 0.909 177 D HN 0.470 nan 8.370 nan 0.000 0.520 178 K N 0.930 121.446 120.400 0.193 0.000 2.437 178 K HA 0.019 4.379 4.320 0.066 0.000 0.198 178 K C 1.849 178.535 176.600 0.144 0.000 1.024 178 K CA -0.321 56.034 56.287 0.112 0.000 1.148 178 K CB 0.066 32.630 32.500 0.107 0.000 0.860 178 K HN 0.355 nan 8.250 nan 0.000 0.515 179 W N 1.208 122.600 121.300 0.153 0.000 2.392 179 W HA -0.146 4.552 4.660 0.064 0.000 0.279 179 W C 0.930 177.501 176.519 0.087 0.000 1.225 179 W CA 1.520 58.952 57.345 0.145 0.000 1.233 179 W CB -0.874 28.705 29.460 0.198 0.000 1.122 179 W HN -0.028 nan 8.180 nan 0.000 0.561 180 T N -0.875 113.359 114.554 -0.533 0.000 3.148 180 T HA 0.005 4.394 4.350 0.066 0.000 0.253 180 T C 0.894 175.551 174.700 -0.071 0.000 1.134 180 T CA 0.096 61.890 62.100 -0.510 0.000 1.051 180 T CB -0.178 68.324 68.868 -0.610 0.000 0.959 180 T HN -0.073 nan 8.240 nan 0.000 0.525 181 Q N 1.893 121.669 119.800 -0.040 0.000 2.392 181 Q HA 0.193 4.572 4.340 0.066 0.000 0.262 181 Q C -1.575 174.422 176.000 -0.005 0.000 1.003 181 Q CA -2.118 53.688 55.803 0.005 0.000 0.888 181 Q CB 1.093 29.789 28.738 -0.071 0.000 1.260 181 Q HN 0.131 nan 8.270 nan 0.000 0.435 182 P HA -0.218 nan 4.420 nan 0.000 0.216 182 P C 0.611 177.899 177.300 -0.021 0.000 1.154 182 P CA 2.250 65.364 63.100 0.023 0.000 0.865 182 P CB 0.162 31.889 31.700 0.044 0.000 0.789 183 A N -1.329 121.455 122.820 -0.061 0.000 2.066 183 A HA -0.110 4.250 4.320 0.066 0.000 0.218 183 A C 1.894 179.370 177.584 -0.179 0.000 1.157 183 A CA 1.375 53.356 52.037 -0.093 0.000 0.670 183 A CB -0.756 18.186 19.000 -0.096 0.000 0.804 183 A HN 0.160 nan 8.150 nan 0.000 0.453 184 N N -0.991 117.550 118.700 -0.265 0.000 2.407 184 N HA 0.166 4.946 4.740 0.066 0.000 0.182 184 N C 0.525 175.988 175.510 -0.077 0.000 1.079 184 N CA -0.159 52.624 53.050 -0.445 0.000 0.882 184 N CB 0.086 38.051 38.487 -0.871 0.000 1.106 184 N HN 0.510 nan 8.380 nan 0.000 0.461 185 I N 1.825 122.413 120.570 0.029 0.000 2.813 185 I HA -0.037 4.173 4.170 0.066 0.000 0.287 185 I C -0.658 175.581 176.117 0.203 0.000 1.196 185 I CA 0.139 61.556 61.300 0.195 0.000 1.421 185 I CB 0.645 38.695 38.000 0.085 0.000 1.365 185 I HN -0.292 nan 8.210 nan 0.000 0.591 186 V N 5.953 126.060 119.914 0.321 0.000 2.577 186 V HA 0.455 4.614 4.120 0.066 0.000 0.303 186 V C -0.171 176.191 176.094 0.447 0.000 1.042 186 V CA -0.450 62.008 62.300 0.263 0.000 0.872 186 V CB 1.904 33.777 31.823 0.083 0.000 0.998 186 V HN 0.879 nan 8.190 nan 0.000 0.423 187 T N 0.169 114.946 114.554 0.371 0.000 2.916 187 T HA 0.475 4.865 4.350 0.066 0.000 0.292 187 T C 0.161 175.013 174.700 0.254 0.000 1.055 187 T CA -0.692 61.526 62.100 0.197 0.000 1.009 187 T CB 2.071 70.771 68.868 -0.280 0.000 1.118 187 T HN 0.635 nan 8.240 nan 0.000 0.497 188 N N -0.216 118.487 118.700 0.004 0.000 2.170 188 N HA 0.212 4.991 4.740 0.066 0.000 0.222 188 N C 0.626 176.107 175.510 -0.048 0.000 1.218 188 N CA -0.364 52.606 53.050 -0.133 0.000 0.889 188 N CB 0.391 38.493 38.487 -0.642 0.000 1.083 188 N HN 0.810 nan 8.380 nan 0.000 0.520 189 G N 0.049 108.746 108.800 -0.172 0.000 2.510 189 G HA2 0.502 4.502 3.960 0.066 0.000 0.280 189 G HA3 0.502 4.502 3.960 0.066 0.000 0.280 189 G C 0.814 175.281 174.900 -0.722 0.000 1.386 189 G CA 0.000 44.892 45.100 -0.347 0.000 1.047 189 G HN 0.211 nan 8.290 nan 0.000 0.527 190 A N -1.736 120.456 122.820 -1.047 0.000 2.121 190 A HA 0.287 4.647 4.320 0.066 0.000 0.218 190 A C 0.355 177.409 177.584 -0.884 0.000 1.154 190 A CA 0.873 52.231 52.037 -1.131 0.000 0.679 190 A CB -0.330 18.122 19.000 -0.913 0.000 0.795 190 A HN 0.453 nan 8.150 nan 0.000 0.458 191 Y N -1.136 119.015 120.300 -0.247 0.000 2.598 191 Y HA 0.580 5.167 4.550 0.061 0.000 0.340 191 Y C 0.189 176.005 175.900 -0.140 0.000 1.038 191 Y CA -0.963 57.052 58.100 -0.142 0.000 1.100 191 Y CB 1.568 39.965 38.460 -0.104 0.000 1.281 191 Y HN -0.072 nan 8.280 nan 0.000 0.488 192 K N 1.119 121.559 120.400 0.066 0.000 2.385 192 K HA 0.509 4.868 4.320 0.066 0.000 0.248 192 K C -1.753 174.858 176.600 0.018 0.000 0.955 192 K CA -1.214 55.079 56.287 0.010 0.000 0.816 192 K CB 2.609 35.123 32.500 0.025 0.000 1.250 192 K HN 0.397 nan 8.250 nan 0.000 0.434 193 L N 2.545 123.757 121.223 -0.018 0.000 2.319 193 L HA 0.155 4.534 4.340 0.066 0.000 0.280 193 L C 0.956 177.838 176.870 0.020 0.000 1.099 193 L CA 0.727 55.557 54.840 -0.017 0.000 0.828 193 L CB 0.625 42.659 42.059 -0.041 0.000 1.150 193 L HN 0.711 nan 8.230 nan 0.000 0.442 194 K N 3.332 123.751 120.400 0.031 0.000 2.216 194 K HA 0.237 4.597 4.320 0.066 0.000 0.207 194 K C -0.143 176.489 176.600 0.052 0.000 1.041 194 K CA 0.197 56.508 56.287 0.039 0.000 0.966 194 K CB 0.439 32.963 32.500 0.039 0.000 0.955 194 K HN 0.731 nan 8.250 nan 0.000 0.468 195 N N -0.623 118.117 118.700 0.067 0.000 2.242 195 N HA 0.124 4.903 4.740 0.066 0.000 0.292 195 N C -2.009 173.614 175.510 0.189 0.000 1.125 195 N CA -0.479 52.632 53.050 0.102 0.000 0.783 195 N CB 1.667 40.200 38.487 0.076 0.000 1.558 195 N HN 0.115 nan 8.380 nan 0.000 0.472 196 W N 2.601 123.885 121.300 -0.028 0.000 2.604 196 W HA 0.411 5.112 4.660 0.069 0.000 0.302 196 W C -1.941 174.561 176.519 -0.028 0.000 1.013 196 W CA -0.681 56.645 57.345 -0.032 0.000 1.338 196 W CB 0.299 29.729 29.460 -0.049 0.000 1.233 196 W HN 0.094 nan 8.180 nan 0.000 0.390 197 V N 6.785 126.861 119.914 0.270 0.000 2.311 197 V HA 0.199 4.358 4.120 0.066 0.000 0.275 197 V C 0.432 176.589 176.094 0.104 0.000 1.022 197 V CA -0.982 61.367 62.300 0.081 0.000 0.830 197 V CB 0.846 32.706 31.823 0.063 0.000 1.012 197 V HN 0.185 nan 8.190 nan 0.000 0.452 198 V N 5.615 125.490 119.914 -0.064 0.000 2.584 198 V HA -0.003 4.156 4.120 0.066 0.000 0.303 198 V C 1.235 177.354 176.094 0.042 0.000 1.035 198 V CA 0.862 63.155 62.300 -0.011 0.000 1.172 198 V CB -0.797 30.933 31.823 -0.155 0.000 0.896 198 V HN 1.153 nan 8.190 nan 0.000 0.486 199 N N 2.336 121.091 118.700 0.091 0.000 2.782 199 N HA -0.192 4.587 4.740 0.066 0.000 0.251 199 N C 0.832 176.370 175.510 0.047 0.000 1.101 199 N CA 1.172 54.257 53.050 0.059 0.000 0.764 199 N CB -0.457 38.050 38.487 0.033 0.000 1.122 199 N HN 0.897 nan 8.380 nan 0.000 0.561 200 E N -0.604 119.636 120.200 0.067 0.000 3.441 200 E HA 0.214 4.603 4.350 0.066 0.000 0.195 200 E C 0.145 176.781 176.600 0.060 0.000 1.172 200 E CA 0.166 56.596 56.400 0.051 0.000 1.457 200 E CB 0.847 30.572 29.700 0.041 0.000 1.388 200 E HN 0.365 nan 8.360 nan 0.000 0.551 201 R N 0.120 120.679 120.500 0.098 0.000 2.753 201 R HA 0.442 4.821 4.340 0.066 0.000 0.272 201 R C -1.788 174.590 176.300 0.131 0.000 1.034 201 R CA -0.617 55.535 56.100 0.087 0.000 0.869 201 R CB 0.483 30.814 30.300 0.051 0.000 1.264 201 R HN -0.050 nan 8.270 nan 0.000 0.481 202 I N 2.169 122.782 120.570 0.072 0.000 2.418 202 I HA 0.372 4.581 4.170 0.066 0.000 0.287 202 I C -0.760 175.378 176.117 0.034 0.000 1.008 202 I CA -1.223 60.084 61.300 0.012 0.000 1.104 202 I CB 2.264 40.167 38.000 -0.162 0.000 1.264 202 I HN 0.317 nan 8.210 nan 0.000 0.438 203 V N 7.465 127.396 119.914 0.029 0.000 2.384 203 V HA 0.471 4.631 4.120 0.066 0.000 0.287 203 V C -0.028 176.073 176.094 0.012 0.000 1.020 203 V CA -0.528 61.781 62.300 0.016 0.000 0.850 203 V CB 1.664 33.500 31.823 0.021 0.000 0.987 203 V HN 0.472 nan 8.190 nan 0.000 0.436 204 L N 5.060 126.282 121.223 -0.000 0.000 2.334 204 L HA 0.742 5.122 4.340 0.066 0.000 0.273 204 L C 0.029 176.954 176.870 0.091 0.000 1.013 204 L CA -0.563 54.291 54.840 0.024 0.000 0.816 204 L CB 1.916 43.962 42.059 -0.022 0.000 1.278 204 L HN 0.793 nan 8.230 nan 0.000 0.431 205 E N 1.956 122.258 120.200 0.170 0.000 2.312 205 E HA 0.426 4.816 4.350 0.066 0.000 0.267 205 E C -0.819 175.927 176.600 0.244 0.000 0.894 205 E CA -1.126 55.392 56.400 0.198 0.000 0.773 205 E CB 2.118 31.875 29.700 0.096 0.000 1.241 205 E HN 0.448 nan 8.360 nan 0.000 0.432 206 R N 1.637 122.226 120.500 0.150 0.000 2.583 206 R HA -0.073 4.306 4.340 0.066 0.000 0.274 206 R C -0.656 175.573 176.300 -0.119 0.000 0.998 206 R CA 0.108 56.117 56.100 -0.150 0.000 1.081 206 R CB 0.257 30.496 30.300 -0.102 0.000 0.940 206 R HN 0.602 nan 8.270 nan 0.000 0.413 207 N N 5.538 124.109 118.700 -0.214 0.000 2.485 207 N HA 0.201 4.981 4.740 0.066 0.000 0.243 207 N C -2.073 173.415 175.510 -0.037 0.000 0.987 207 N CA -2.395 50.604 53.050 -0.086 0.000 0.940 207 N CB 1.572 40.003 38.487 -0.093 0.000 1.122 207 N HN 0.361 nan 8.380 nan 0.000 0.509 208 P HA -0.077 nan 4.420 nan 0.000 0.226 208 P C 0.602 177.926 177.300 0.039 0.000 1.153 208 P CA 0.989 64.096 63.100 0.012 0.000 0.777 208 P CB 0.450 32.160 31.700 0.017 0.000 0.794 209 Q N -1.856 117.985 119.800 0.068 0.000 2.432 209 Q HA -0.021 4.358 4.340 0.066 0.000 0.205 209 Q C 0.459 176.533 176.000 0.123 0.000 0.945 209 Q CA -0.016 55.845 55.803 0.095 0.000 0.924 209 Q CB -0.752 28.060 28.738 0.123 0.000 1.016 209 Q HN 0.336 nan 8.270 nan 0.000 0.503 210 Y N 2.545 122.816 120.300 -0.048 0.000 2.717 210 Y HA -0.182 4.405 4.550 0.061 0.000 0.330 210 Y C 1.356 177.211 175.900 -0.076 0.000 1.217 210 Y CA -0.575 57.465 58.100 -0.101 0.000 1.506 210 Y CB 0.271 38.589 38.460 -0.236 0.000 1.268 210 Y HN 0.246 nan 8.280 nan 0.000 0.561 211 W N 4.132 125.129 121.300 -0.506 0.000 2.325 211 W HA -0.223 4.474 4.660 0.062 0.000 0.299 211 W C 0.286 176.496 176.519 -0.516 0.000 1.215 211 W CA 1.453 58.533 57.345 -0.441 0.000 1.244 211 W CB -0.410 28.839 29.460 -0.352 0.000 1.140 211 W HN 0.526 nan 8.180 nan 0.000 0.523 212 D N 0.758 120.093 120.400 -1.774 0.000 2.427 212 D HA -0.018 4.662 4.640 0.066 0.000 0.224 212 D C 1.454 177.424 176.300 -0.549 0.000 1.157 212 D CA 0.051 53.305 54.000 -1.242 0.000 0.828 212 D CB -0.672 39.013 40.800 -1.859 0.000 0.974 212 D HN 0.029 nan 8.370 nan 0.000 0.498 213 N N 0.421 118.923 118.700 -0.331 0.000 2.137 213 N HA -0.208 4.571 4.740 0.066 0.000 0.190 213 N C 1.666 177.129 175.510 -0.079 0.000 1.017 213 N CA 1.650 54.650 53.050 -0.083 0.000 0.859 213 N CB -0.023 38.439 38.487 -0.042 0.000 1.002 213 N HN 0.162 nan 8.380 nan 0.000 0.428 214 A N 0.143 122.910 122.820 -0.089 0.000 2.024 214 A HA -0.121 4.239 4.320 0.066 0.000 0.220 214 A C 1.948 179.504 177.584 -0.048 0.000 1.164 214 A CA 1.323 53.328 52.037 -0.053 0.000 0.643 214 A CB -0.301 18.675 19.000 -0.040 0.000 0.806 214 A HN 0.391 nan 8.150 nan 0.000 0.451 215 K N -0.476 119.883 120.400 -0.068 0.000 2.400 215 K HA 0.048 4.407 4.320 0.066 0.000 0.194 215 K C -0.155 176.439 176.600 -0.011 0.000 1.033 215 K CA 0.219 56.482 56.287 -0.041 0.000 1.021 215 K CB 0.082 32.549 32.500 -0.055 0.000 0.808 215 K HN 0.308 nan 8.250 nan 0.000 0.505 216 T N 1.144 115.687 114.554 -0.018 0.000 2.870 216 T HA 0.058 4.447 4.350 0.066 0.000 0.300 216 T C 1.295 176.015 174.700 0.034 0.000 0.989 216 T CA -0.174 61.928 62.100 0.004 0.000 1.139 216 T CB 1.656 70.476 68.868 -0.080 0.000 0.920 216 T HN -0.184 nan 8.240 nan 0.000 0.537 217 V N 3.200 123.171 119.914 0.094 0.000 2.806 217 V HA 0.151 4.310 4.120 0.066 0.000 0.239 217 V C 1.061 177.235 176.094 0.133 0.000 1.113 217 V CA 0.209 62.574 62.300 0.108 0.000 1.137 217 V CB 0.091 32.003 31.823 0.147 0.000 0.865 217 V HN 0.728 nan 8.190 nan 0.000 0.482 218 I N 2.866 123.548 120.570 0.187 0.000 2.587 218 I HA 0.049 4.258 4.170 0.066 0.000 0.284 218 I C 1.018 177.280 176.117 0.242 0.000 1.134 218 I CA 0.576 61.992 61.300 0.194 0.000 1.410 218 I CB 0.280 38.389 38.000 0.183 0.000 1.392 218 I HN 0.335 nan 8.210 nan 0.000 0.545 219 N N 4.543 123.340 118.700 0.162 0.000 2.395 219 N HA -0.029 4.751 4.740 0.066 0.000 0.175 219 N C 0.494 176.117 175.510 0.187 0.000 1.029 219 N CA 0.556 53.696 53.050 0.150 0.000 0.897 219 N CB 0.559 39.094 38.487 0.080 0.000 0.991 219 N HN 0.653 nan 8.380 nan 0.000 0.441 220 Q N 0.430 120.307 119.800 0.128 0.000 2.309 220 Q HA 0.424 4.803 4.340 0.066 0.000 0.273 220 Q C -2.115 173.850 176.000 -0.058 0.000 1.040 220 Q CA -0.437 55.400 55.803 0.056 0.000 0.834 220 Q CB 2.536 31.292 28.738 0.029 0.000 1.345 220 Q HN -0.107 nan 8.270 nan 0.000 0.414 221 V N 2.834 122.649 119.914 -0.165 0.000 2.709 221 V HA 0.693 4.852 4.120 0.066 0.000 0.308 221 V C -1.285 174.665 176.094 -0.240 0.000 1.062 221 V CA -0.043 62.087 62.300 -0.282 0.000 0.901 221 V CB 2.362 33.899 31.823 -0.477 0.000 1.003 221 V HN 0.886 nan 8.190 nan 0.000 0.425 222 T N 6.713 121.110 114.554 -0.262 0.000 2.797 222 T HA 0.589 4.979 4.350 0.066 0.000 0.279 222 T C -1.319 173.197 174.700 -0.307 0.000 0.991 222 T CA 0.062 62.056 62.100 -0.177 0.000 0.979 222 T CB 0.935 69.743 68.868 -0.100 0.000 0.943 222 T HN 0.560 nan 8.240 nan 0.000 0.444 223 Y N 2.574 122.805 120.300 -0.114 0.000 2.328 223 Y HA 0.529 5.117 4.550 0.063 0.000 0.337 223 Y C 0.122 175.965 175.900 -0.096 0.000 0.966 223 Y CA -0.911 57.115 58.100 -0.123 0.000 1.136 223 Y CB 0.903 39.264 38.460 -0.165 0.000 1.170 223 Y HN 0.399 nan 8.280 nan 0.000 0.470 224 L N 6.132 127.373 121.223 0.030 0.000 2.344 224 L HA 0.495 4.874 4.340 0.066 0.000 0.272 224 L C -1.925 174.930 176.870 -0.025 0.000 1.035 224 L CA -1.944 52.898 54.840 0.004 0.000 0.807 224 L CB 1.788 43.839 42.059 -0.014 0.000 1.237 224 L HN 0.425 nan 8.230 nan 0.000 0.442 225 P HA 0.244 nan 4.420 nan 0.000 0.250 225 P C -0.278 176.975 177.300 -0.079 0.000 1.808 225 P CA -0.080 62.980 63.100 -0.067 0.000 1.117 225 P CB -0.032 31.664 31.700 -0.007 0.000 1.602 226 I N 1.074 121.597 120.570 -0.078 0.000 2.379 226 I HA 0.027 4.236 4.170 0.066 0.000 0.290 226 I C 1.660 177.724 176.117 -0.088 0.000 1.063 226 I CA 0.109 61.374 61.300 -0.058 0.000 1.351 226 I CB 0.777 38.761 38.000 -0.028 0.000 1.410 226 I HN -0.002 nan 8.210 nan 0.000 0.505 227 S N 2.264 117.924 115.700 -0.067 0.000 2.501 227 S HA -0.020 4.489 4.470 0.066 0.000 0.220 227 S C 1.003 175.587 174.600 -0.026 0.000 0.997 227 S CA -0.298 57.861 58.200 -0.068 0.000 0.919 227 S CB 0.086 63.262 63.200 -0.040 0.000 0.778 227 S HN 0.606 nan 8.310 nan 0.000 0.523 228 S N 1.312 117.005 115.700 -0.012 0.000 2.422 228 S HA 0.256 4.765 4.470 0.066 0.000 0.283 228 S C 0.649 175.248 174.600 -0.001 0.000 1.163 228 S CA -0.551 57.649 58.200 -0.000 0.000 1.054 228 S CB 0.709 63.913 63.200 0.008 0.000 0.967 228 S HN 0.342 nan 8.310 nan 0.000 0.499 229 E N 3.557 123.754 120.200 -0.005 0.000 2.153 229 E HA -0.083 4.307 4.350 0.066 0.000 0.194 229 E C 1.899 178.499 176.600 0.002 0.000 0.988 229 E CA 1.053 57.452 56.400 -0.001 0.000 0.811 229 E CB -0.181 29.506 29.700 -0.020 0.000 0.746 229 E HN 0.578 nan 8.360 nan 0.000 0.466 230 V N 0.719 120.635 119.914 0.002 0.000 2.295 230 V HA -0.276 3.884 4.120 0.066 0.000 0.246 230 V C 2.118 178.221 176.094 0.015 0.000 1.049 230 V CA 2.231 64.536 62.300 0.009 0.000 1.024 230 V CB -0.787 31.041 31.823 0.008 0.000 0.648 230 V HN 0.347 nan 8.190 nan 0.000 0.447 231 T N -0.548 114.015 114.554 0.014 0.000 2.788 231 T HA -0.210 4.180 4.350 0.066 0.000 0.268 231 T C 1.770 176.486 174.700 0.026 0.000 1.044 231 T CA 1.669 63.780 62.100 0.019 0.000 1.139 231 T CB -0.385 68.491 68.868 0.013 0.000 0.867 231 T HN 0.535 nan 8.240 nan 0.000 0.454 232 D N 1.093 121.507 120.400 0.023 0.000 2.092 232 D HA -0.097 4.583 4.640 0.066 0.000 0.193 232 D C 2.150 178.481 176.300 0.052 0.000 0.994 232 D CA 0.868 54.888 54.000 0.033 0.000 0.828 232 D CB -0.484 40.332 40.800 0.026 0.000 0.963 232 D HN 0.190 nan 8.370 nan 0.000 0.450 233 V N 1.108 121.038 119.914 0.026 0.000 2.332 233 V HA -0.241 3.919 4.120 0.066 0.000 0.248 233 V C 2.253 178.404 176.094 0.096 0.000 1.055 233 V CA 1.761 64.079 62.300 0.030 0.000 1.038 233 V CB -0.657 31.163 31.823 -0.005 0.000 0.651 233 V HN 0.238 nan 8.190 nan 0.000 0.450 234 N N 0.498 119.237 118.700 0.065 0.000 2.084 234 N HA -0.148 4.632 4.740 0.066 0.000 0.190 234 N C 1.949 177.503 175.510 0.073 0.000 1.030 234 N CA 1.434 54.521 53.050 0.061 0.000 0.849 234 N CB -0.367 38.142 38.487 0.037 0.000 1.012 234 N HN 0.484 nan 8.380 nan 0.000 0.423 235 R N -0.692 119.852 120.500 0.073 0.000 2.189 235 R HA -0.062 4.317 4.340 0.066 0.000 0.218 235 R C 1.822 178.172 176.300 0.084 0.000 1.074 235 R CA 0.447 56.584 56.100 0.061 0.000 0.991 235 R CB -0.227 30.100 30.300 0.044 0.000 0.883 235 R HN 0.360 nan 8.270 nan 0.000 0.457 236 Y N 1.466 121.757 120.300 -0.014 0.000 2.184 236 Y HA -0.091 4.497 4.550 0.063 0.000 0.290 236 Y C 2.013 177.907 175.900 -0.011 0.000 1.129 236 Y CA 1.308 59.393 58.100 -0.025 0.000 1.144 236 Y CB 0.075 38.504 38.460 -0.051 0.000 0.995 236 Y HN -0.211 nan 8.280 nan 0.000 0.513 237 R N -0.006 120.608 120.500 0.189 0.000 2.189 237 R HA -0.089 4.290 4.340 0.066 0.000 0.223 237 R C 2.396 178.704 176.300 0.015 0.000 1.092 237 R CA 1.212 57.365 56.100 0.088 0.000 0.989 237 R CB -0.429 29.949 30.300 0.130 0.000 0.876 237 R HN 0.499 nan 8.270 nan 0.000 0.457 238 S N -0.960 114.751 115.700 0.018 0.000 2.489 238 S HA 0.051 4.560 4.470 0.066 0.000 0.228 238 S C 1.494 176.091 174.600 -0.005 0.000 0.995 238 S CA 0.770 58.976 58.200 0.009 0.000 0.934 238 S CB 0.512 63.720 63.200 0.014 0.000 0.771 238 S HN 0.492 nan 8.310 nan 0.000 0.522 239 G N 0.953 109.733 108.800 -0.033 0.000 2.218 239 G HA2 -0.269 3.731 3.960 0.066 0.000 0.216 239 G HA3 -0.269 3.731 3.960 0.066 0.000 0.216 239 G C 0.628 175.522 174.900 -0.009 0.000 0.994 239 G CA 0.422 45.513 45.100 -0.016 0.000 0.637 239 G HN 0.523 nan 8.290 nan 0.000 0.505 240 E N -0.065 120.128 120.200 -0.012 0.000 2.072 240 E HA 0.098 4.488 4.350 0.066 0.000 0.191 240 E C 0.883 177.479 176.600 -0.006 0.000 0.985 240 E CA 0.489 56.887 56.400 -0.004 0.000 0.801 240 E CB -0.027 29.674 29.700 0.002 0.000 0.750 240 E HN 0.607 nan 8.360 nan 0.000 0.452 241 I N 1.643 122.206 120.570 -0.012 0.000 2.359 241 I HA 0.062 4.271 4.170 0.066 0.000 0.294 241 I C 0.357 176.450 176.117 -0.040 0.000 0.987 241 I CA -0.573 60.732 61.300 0.008 0.000 1.225 241 I CB 1.598 39.648 38.000 0.084 0.000 1.366 241 I HN -0.017 nan 8.210 nan 0.000 0.466 242 D N 5.436 125.823 120.400 -0.021 0.000 2.240 242 D HA 0.143 4.822 4.640 0.066 0.000 0.206 242 D C 0.220 176.519 176.300 -0.003 0.000 0.963 242 D CA 1.336 55.297 54.000 -0.066 0.000 0.863 242 D CB 0.537 41.328 40.800 -0.015 0.000 0.973 242 D HN 0.411 nan 8.370 nan 0.000 0.501 243 M N 0.740 120.352 119.600 0.019 0.000 2.183 243 M HA 0.148 4.667 4.480 0.066 0.000 0.277 243 M C -0.248 176.030 176.300 -0.037 0.000 0.995 243 M CA -0.460 54.809 55.300 -0.051 0.000 0.969 243 M CB 2.673 35.151 32.600 -0.202 0.000 1.659 243 M HN -0.221 nan 8.290 nan 0.000 0.462 244 T N -0.511 113.987 114.554 -0.094 0.000 2.726 244 T HA 0.294 4.683 4.350 0.066 0.000 0.294 244 T C -0.189 174.483 174.700 -0.048 0.000 1.013 244 T CA -0.275 61.779 62.100 -0.076 0.000 0.996 244 T CB 0.939 69.701 68.868 -0.177 0.000 1.016 244 T HN 0.473 nan 8.240 nan 0.000 0.529 245 Y N 1.862 122.091 120.300 -0.118 0.000 2.296 245 Y HA 0.259 4.849 4.550 0.068 0.000 0.343 245 Y C 0.919 176.751 175.900 -0.113 0.000 1.292 245 Y CA -1.041 56.993 58.100 -0.110 0.000 1.490 245 Y CB 0.464 38.867 38.460 -0.096 0.000 1.359 245 Y HN 0.821 nan 8.280 nan 0.000 0.599 246 N N 2.698 120.879 118.700 -0.866 0.000 3.271 246 N HA 0.165 4.945 4.740 0.066 0.000 0.303 246 N C -1.784 173.470 175.510 -0.428 0.000 1.415 246 N CA -0.314 52.409 53.050 -0.545 0.000 1.159 246 N CB -0.504 37.699 38.487 -0.473 0.000 1.432 246 N HN 0.397 nan 8.380 nan 0.000 0.521 247 N N 0.852 119.407 118.700 -0.242 0.000 2.480 247 N HA 0.323 5.103 4.740 0.066 0.000 0.289 247 N C -1.092 174.373 175.510 -0.075 0.000 1.073 247 N CA -0.282 52.741 53.050 -0.044 0.000 0.885 247 N CB 1.325 39.868 38.487 0.095 0.000 1.421 247 N HN 0.222 nan 8.380 nan 0.000 0.503 248 M N 2.845 122.361 119.600 -0.140 0.000 2.300 248 M HA 0.454 4.974 4.480 0.066 0.000 0.348 248 M C -2.274 173.945 176.300 -0.136 0.000 1.151 248 M CA -2.185 53.017 55.300 -0.163 0.000 1.046 248 M CB 1.506 33.888 32.600 -0.365 0.000 1.647 248 M HN 0.214 nan 8.290 nan 0.000 0.451 249 P HA 0.170 nan 4.420 nan 0.000 0.271 249 P C 0.666 177.964 177.300 -0.004 0.000 1.226 249 P CA 0.053 63.138 63.100 -0.026 0.000 0.765 249 P CB 0.651 32.354 31.700 0.005 0.000 0.835 250 I N 2.149 122.696 120.570 -0.038 0.000 2.286 250 I HA -0.288 3.922 4.170 0.066 0.000 0.248 250 I C 2.028 178.153 176.117 0.014 0.000 1.115 250 I CA 1.637 62.922 61.300 -0.025 0.000 1.392 250 I CB -0.423 37.543 38.000 -0.056 0.000 1.065 250 I HN 0.306 nan 8.210 nan 0.000 0.418 251 E N 0.906 121.110 120.200 0.007 0.000 2.070 251 E HA -0.188 4.202 4.350 0.066 0.000 0.197 251 E C 1.947 178.560 176.600 0.021 0.000 1.004 251 E CA 1.444 57.850 56.400 0.009 0.000 0.805 251 E CB -0.173 29.529 29.700 0.004 0.000 0.744 251 E HN 0.472 nan 8.360 nan 0.000 0.451 252 L N -1.122 120.124 121.223 0.037 0.000 2.664 252 L HA 0.205 4.585 4.340 0.066 0.000 0.233 252 L C 1.574 178.471 176.870 0.045 0.000 1.113 252 L CA -0.320 54.537 54.840 0.029 0.000 0.896 252 L CB 0.025 42.096 42.059 0.019 0.000 1.163 252 L HN 0.037 nan 8.230 nan 0.000 0.497 253 F N 1.663 121.574 119.950 -0.065 0.000 2.126 253 F HA -0.241 4.323 4.527 0.063 0.000 0.299 253 F C 2.620 178.380 175.800 -0.066 0.000 1.096 253 F CA 1.688 59.644 58.000 -0.074 0.000 1.255 253 F CB 0.068 39.018 39.000 -0.083 0.000 0.997 253 F HN 0.092 nan 8.300 nan 0.000 0.479 254 Q N 0.841 120.606 119.800 -0.058 0.000 2.050 254 Q HA -0.233 4.146 4.340 0.066 0.000 0.202 254 Q C 2.330 178.218 176.000 -0.188 0.000 0.980 254 Q CA 1.762 57.480 55.803 -0.141 0.000 0.840 254 Q CB -0.960 27.753 28.738 -0.042 0.000 0.898 254 Q HN 0.507 nan 8.270 nan 0.000 0.424 255 K N 1.215 121.542 120.400 -0.123 0.000 2.032 255 K HA -0.208 4.151 4.320 0.066 0.000 0.218 255 K C 2.167 178.674 176.600 -0.154 0.000 1.054 255 K CA 1.676 57.899 56.287 -0.107 0.000 0.941 255 K CB -0.459 32.002 32.500 -0.064 0.000 0.720 255 K HN 0.184 nan 8.250 nan 0.000 0.449 256 L N 1.258 122.357 121.223 -0.207 0.000 2.013 256 L HA -0.233 4.147 4.340 0.066 0.000 0.212 256 L C 2.655 179.346 176.870 -0.297 0.000 1.073 256 L CA 2.214 56.910 54.840 -0.240 0.000 0.753 256 L CB -0.707 41.187 42.059 -0.275 0.000 0.890 256 L HN 0.356 nan 8.230 nan 0.000 0.432 257 K N -0.200 119.931 120.400 -0.447 0.000 2.103 257 K HA -0.160 4.200 4.320 0.066 0.000 0.207 257 K C 1.948 178.425 176.600 -0.205 0.000 1.048 257 K CA 1.029 57.097 56.287 -0.365 0.000 0.930 257 K CB -0.241 32.004 32.500 -0.426 0.000 0.716 257 K HN 0.221 nan 8.250 nan 0.000 0.444 258 K N 1.454 121.750 120.400 -0.173 0.000 2.098 258 K HA -0.018 4.341 4.320 0.066 0.000 0.203 258 K C 2.079 178.626 176.600 -0.089 0.000 1.051 258 K CA 1.291 57.511 56.287 -0.111 0.000 0.957 258 K CB -0.081 32.364 32.500 -0.092 0.000 0.738 258 K HN 0.324 nan 8.250 nan 0.000 0.447 259 E N 0.782 120.926 120.200 -0.093 0.000 2.047 259 E HA -0.054 4.336 4.350 0.066 0.000 0.191 259 E C 0.814 177.380 176.600 -0.056 0.000 0.987 259 E CA 0.944 57.305 56.400 -0.064 0.000 0.799 259 E CB 0.111 29.778 29.700 -0.055 0.000 0.752 259 E HN 0.350 nan 8.360 nan 0.000 0.449 260 I N -3.009 117.516 120.570 -0.075 0.000 2.925 260 I HA 0.280 4.490 4.170 0.066 0.000 0.296 260 I C -2.383 173.684 176.117 -0.082 0.000 1.413 260 I CA -1.833 59.432 61.300 -0.058 0.000 0.932 260 I CB 1.339 39.322 38.000 -0.028 0.000 1.873 260 I HN -0.201 nan 8.210 nan 0.000 0.619 261 P HA -0.157 nan 4.420 nan 0.000 0.216 261 P C 0.925 178.184 177.300 -0.068 0.000 1.153 261 P CA 1.513 64.563 63.100 -0.084 0.000 0.858 261 P CB 0.076 31.735 31.700 -0.067 0.000 0.789 262 N N -0.310 118.358 118.700 -0.053 0.000 2.512 262 N HA -0.070 4.710 4.740 0.066 0.000 0.183 262 N C 1.369 176.845 175.510 -0.058 0.000 1.073 262 N CA 0.718 53.740 53.050 -0.047 0.000 0.911 262 N CB -0.117 38.349 38.487 -0.036 0.000 0.964 262 N HN 0.425 nan 8.380 nan 0.000 0.447 263 E N -0.178 119.982 120.200 -0.066 0.000 2.460 263 E HA 0.103 4.492 4.350 0.066 0.000 0.200 263 E C -0.207 176.332 176.600 -0.101 0.000 1.011 263 E CA -0.002 56.354 56.400 -0.074 0.000 0.912 263 E CB 0.879 30.564 29.700 -0.025 0.000 0.953 263 E HN -0.036 nan 8.360 nan 0.000 0.494 264 V N 3.830 123.686 119.914 -0.096 0.000 2.339 264 V HA 0.153 4.313 4.120 0.066 0.000 0.261 264 V C 0.050 176.124 176.094 -0.034 0.000 1.058 264 V CA -0.433 61.815 62.300 -0.088 0.000 0.897 264 V CB 0.259 32.006 31.823 -0.125 0.000 1.052 264 V HN 0.110 nan 8.190 nan 0.000 0.480 265 R N 3.917 124.408 120.500 -0.016 0.000 2.254 265 R HA 0.585 4.965 4.340 0.066 0.000 0.318 265 R C -0.838 175.482 176.300 0.033 0.000 1.031 265 R CA -0.469 55.648 56.100 0.028 0.000 0.905 265 R CB 1.574 31.943 30.300 0.116 0.000 1.050 265 R HN 0.424 nan 8.270 nan 0.000 0.456 266 V N 4.149 124.078 119.914 0.025 0.000 2.447 266 V HA 0.323 4.483 4.120 0.066 0.000 0.292 266 V C -0.459 175.631 176.094 -0.007 0.000 1.021 266 V CA -0.700 61.615 62.300 0.023 0.000 0.850 266 V CB 1.867 33.724 31.823 0.058 0.000 1.005 266 V HN 0.677 nan 8.190 nan 0.000 0.426 267 D N 4.569 124.954 120.400 -0.025 0.000 2.552 267 D HA 0.475 5.155 4.640 0.066 0.000 0.239 267 D C -2.875 173.420 176.300 -0.008 0.000 1.139 267 D CA -1.464 52.513 54.000 -0.040 0.000 0.914 267 D CB 2.935 43.685 40.800 -0.084 0.000 1.461 267 D HN 0.187 nan 8.370 nan 0.000 0.462 268 P HA 0.036 nan 4.420 nan 0.000 0.266 268 P C -0.956 176.468 177.300 0.206 0.000 1.195 268 P CA 0.284 63.407 63.100 0.038 0.000 0.768 268 P CB 0.218 31.900 31.700 -0.029 0.000 0.838 269 Y N 2.175 122.574 120.300 0.164 0.000 2.401 269 Y HA 0.321 4.912 4.550 0.069 0.000 0.330 269 Y C -0.726 175.342 175.900 0.279 0.000 1.071 269 Y CA -1.295 56.909 58.100 0.174 0.000 1.049 269 Y CB 1.351 39.891 38.460 0.134 0.000 1.239 269 Y HN 0.156 nan 8.280 nan 0.000 0.437 270 L N 6.091 127.434 121.223 0.200 0.000 2.480 270 L HA 0.310 4.689 4.340 0.066 0.000 0.243 270 L C -0.865 175.954 176.870 -0.086 0.000 1.315 270 L CA 0.188 55.021 54.840 -0.012 0.000 1.231 270 L CB -0.685 41.359 42.059 -0.025 0.000 1.444 270 L HN 0.532 nan 8.230 nan 0.000 0.409 271 c N -0.590 117.946 118.600 -0.106 0.000 2.797 271 c HA 0.656 5.265 4.570 0.066 0.000 0.306 271 c C 0.330 174.620 174.090 0.335 0.000 1.207 271 c CA -0.700 55.578 56.329 -0.084 0.000 1.507 271 c CB 2.125 44.124 42.510 -0.852 0.000 2.028 271 c HN 0.438 nan 8.230 nan 0.000 0.475 272 T N 1.437 116.283 114.554 0.486 0.000 2.812 272 T HA 0.400 4.790 4.350 0.066 0.000 0.282 272 T C -1.209 173.847 174.700 0.594 0.000 0.990 272 T CA -0.172 62.240 62.100 0.520 0.000 0.960 272 T CB 0.741 69.842 68.868 0.388 0.000 0.948 272 T HN 0.545 nan 8.240 nan 0.000 0.438 273 Y N 4.999 125.348 120.300 0.081 0.000 2.327 273 Y HA 0.538 5.126 4.550 0.064 0.000 0.336 273 Y C -0.670 175.124 175.900 -0.176 0.000 1.035 273 Y CA -0.692 57.230 58.100 -0.296 0.000 1.165 273 Y CB 0.326 37.945 38.460 -1.403 0.000 1.181 273 Y HN 0.706 nan 8.280 nan 0.000 0.494 274 Y N 2.505 122.645 120.300 -0.267 0.000 2.670 274 Y HA 0.583 5.172 4.550 0.065 0.000 0.334 274 Y C -2.426 173.228 175.900 -0.410 0.000 1.185 274 Y CA -2.311 55.670 58.100 -0.198 0.000 1.053 274 Y CB 0.652 39.094 38.460 -0.030 0.000 1.298 274 Y HN 0.372 nan 8.280 nan 0.000 0.459 275 Y N 1.359 121.774 120.300 0.192 0.000 2.353 275 Y HA 0.326 4.917 4.550 0.067 0.000 0.340 275 Y C 0.210 176.206 175.900 0.159 0.000 0.972 275 Y CA -0.867 57.301 58.100 0.114 0.000 1.157 275 Y CB 1.382 40.002 38.460 0.266 0.000 1.157 275 Y HN 0.684 nan 8.280 nan 0.000 0.495 276 E N 4.499 124.765 120.200 0.109 0.000 2.259 276 E HA 0.325 4.714 4.350 0.066 0.000 0.281 276 E C -0.992 175.721 176.600 0.188 0.000 1.037 276 E CA -0.250 56.245 56.400 0.159 0.000 0.854 276 E CB 0.573 30.267 29.700 -0.011 0.000 1.051 276 E HN 0.617 nan 8.360 nan 0.000 0.409 277 I N 4.175 124.798 120.570 0.087 0.000 2.392 277 I HA 0.103 4.313 4.170 0.066 0.000 0.295 277 I C 0.282 176.325 176.117 -0.122 0.000 0.985 277 I CA -0.861 60.381 61.300 -0.097 0.000 1.221 277 I CB 1.247 39.173 38.000 -0.122 0.000 1.366 277 I HN 0.504 nan 8.210 nan 0.000 0.467 278 N N 5.904 124.344 118.700 -0.433 0.000 2.421 278 N HA 0.059 4.839 4.740 0.066 0.000 0.260 278 N C 0.536 175.914 175.510 -0.220 0.000 1.173 278 N CA 0.377 53.100 53.050 -0.545 0.000 0.960 278 N CB 0.111 37.878 38.487 -1.200 0.000 1.273 278 N HN 0.513 nan 8.380 nan 0.000 0.497 279 N N 1.924 120.590 118.700 -0.056 0.000 2.453 279 N HA -0.166 4.613 4.740 0.066 0.000 0.183 279 N C 0.721 176.231 175.510 -0.001 0.000 1.041 279 N CA 0.686 53.746 53.050 0.016 0.000 0.900 279 N CB 0.286 38.831 38.487 0.097 0.000 0.961 279 N HN 0.757 nan 8.380 nan 0.000 0.443 280 Q N 0.453 120.228 119.800 -0.042 0.000 2.280 280 Q HA 0.154 4.534 4.340 0.066 0.000 0.201 280 Q C 0.189 176.140 176.000 -0.081 0.000 0.890 280 Q CA 0.194 55.962 55.803 -0.058 0.000 0.947 280 Q CB 0.335 29.036 28.738 -0.063 0.000 1.081 280 Q HN -0.043 nan 8.270 nan 0.000 0.502 281 K N 1.302 121.657 120.400 -0.075 0.000 2.394 281 K HA 0.543 4.903 4.320 0.066 0.000 0.260 281 K C -0.993 175.621 176.600 0.022 0.000 0.967 281 K CA -0.517 55.742 56.287 -0.045 0.000 0.855 281 K CB 1.537 33.982 32.500 -0.091 0.000 1.101 281 K HN 0.219 nan 8.250 nan 0.000 0.433 282 A N 4.796 127.597 122.820 -0.031 0.000 2.498 282 A HA 0.198 4.558 4.320 0.066 0.000 0.239 282 A C -1.691 175.812 177.584 -0.135 0.000 1.068 282 A CA -0.830 51.156 52.037 -0.085 0.000 0.766 282 A CB -0.059 18.899 19.000 -0.071 0.000 1.003 282 A HN 0.676 nan 8.150 nan 0.000 0.497 283 P HA 0.136 nan 4.420 nan 0.000 0.261 283 P C 0.167 177.151 177.300 -0.528 0.000 1.352 283 P CA 0.263 63.132 63.100 -0.386 0.000 0.891 283 P CB -0.015 31.516 31.700 -0.282 0.000 1.383 284 F N 1.653 121.520 119.950 -0.139 0.000 2.802 284 F HA -0.005 4.561 4.527 0.066 0.000 0.300 284 F C 1.781 177.506 175.800 -0.126 0.000 1.168 284 F CA 0.474 58.366 58.000 -0.181 0.000 1.433 284 F CB -0.963 37.885 39.000 -0.253 0.000 1.115 284 F HN 0.057 nan 8.300 nan 0.000 0.582 285 N N -0.882 117.812 118.700 -0.009 0.000 2.398 285 N HA -0.078 4.701 4.740 0.066 0.000 0.188 285 N C -0.254 175.241 175.510 -0.024 0.000 1.122 285 N CA 0.268 53.312 53.050 -0.011 0.000 0.866 285 N CB -0.394 38.079 38.487 -0.025 0.000 0.970 285 N HN 0.093 nan 8.380 nan 0.000 0.462 286 D N 0.695 121.068 120.400 -0.045 0.000 2.359 286 D HA 0.043 4.723 4.640 0.066 0.000 0.230 286 D C 0.923 177.206 176.300 -0.028 0.000 1.118 286 D CA -0.490 53.487 54.000 -0.038 0.000 0.844 286 D CB 1.957 42.729 40.800 -0.047 0.000 1.059 286 D HN -0.158 nan 8.370 nan 0.000 0.493 287 V N 5.932 125.840 119.914 -0.011 0.000 2.568 287 V HA -0.244 3.915 4.120 0.066 0.000 0.253 287 V C 2.120 178.203 176.094 -0.019 0.000 1.072 287 V CA 1.820 64.116 62.300 -0.007 0.000 1.084 287 V CB -0.208 31.621 31.823 0.010 0.000 0.676 287 V HN 0.531 nan 8.190 nan 0.000 0.469 288 R N -0.809 119.682 120.500 -0.015 0.000 2.092 288 R HA -0.091 4.289 4.340 0.066 0.000 0.231 288 R C 2.146 178.424 176.300 -0.038 0.000 1.119 288 R CA 1.550 57.642 56.100 -0.013 0.000 0.970 288 R CB -0.544 29.760 30.300 0.007 0.000 0.864 288 R HN 0.502 nan 8.270 nan 0.000 0.440 289 V N 1.197 121.075 119.914 -0.059 0.000 2.307 289 V HA -0.217 3.942 4.120 0.066 0.000 0.245 289 V C 2.357 178.368 176.094 -0.137 0.000 1.045 289 V CA 1.656 63.877 62.300 -0.132 0.000 1.024 289 V CB -0.486 31.209 31.823 -0.213 0.000 0.651 289 V HN 0.293 nan 8.190 nan 0.000 0.449 290 R N -0.060 120.390 120.500 -0.083 0.000 2.073 290 R HA -0.142 4.238 4.340 0.066 0.000 0.234 290 R C 2.383 178.624 176.300 -0.098 0.000 1.134 290 R CA 1.969 58.026 56.100 -0.071 0.000 0.952 290 R CB -0.891 29.388 30.300 -0.036 0.000 0.850 290 R HN 0.493 nan 8.270 nan 0.000 0.433 291 T N 1.097 115.595 114.554 -0.094 0.000 2.788 291 T HA -0.119 4.270 4.350 0.066 0.000 0.268 291 T C 1.979 176.608 174.700 -0.119 0.000 1.044 291 T CA 1.347 63.373 62.100 -0.125 0.000 1.139 291 T CB -0.220 68.596 68.868 -0.087 0.000 0.867 291 T HN 0.382 nan 8.240 nan 0.000 0.454 292 A N 1.413 124.178 122.820 -0.092 0.000 1.877 292 A HA -0.008 4.352 4.320 0.066 0.000 0.216 292 A C 2.313 179.844 177.584 -0.089 0.000 1.186 292 A CA 1.230 53.221 52.037 -0.075 0.000 0.620 292 A CB -0.875 18.071 19.000 -0.091 0.000 0.822 292 A HN 0.471 nan 8.150 nan 0.000 0.443 293 L N -0.701 120.414 121.223 -0.180 0.000 2.046 293 L HA -0.209 4.170 4.340 0.066 0.000 0.208 293 L C 2.677 179.651 176.870 0.174 0.000 1.077 293 L CA 1.986 56.689 54.840 -0.229 0.000 0.747 293 L CB -0.473 41.325 42.059 -0.435 0.000 0.896 293 L HN 0.488 nan 8.230 nan 0.000 0.432 294 K N 0.662 121.078 120.400 0.026 0.000 2.026 294 K HA -0.173 4.187 4.320 0.066 0.000 0.208 294 K C 2.113 178.644 176.600 -0.115 0.000 1.048 294 K CA 1.339 57.604 56.287 -0.037 0.000 0.929 294 K CB -0.023 32.324 32.500 -0.256 0.000 0.713 294 K HN 0.247 nan 8.250 nan 0.000 0.439 295 L N 0.073 121.204 121.223 -0.154 0.000 2.131 295 L HA -0.023 4.356 4.340 0.066 0.000 0.206 295 L C 2.523 179.476 176.870 0.139 0.000 1.087 295 L CA 0.876 55.673 54.840 -0.072 0.000 0.767 295 L CB -0.399 41.643 42.059 -0.029 0.000 0.917 295 L HN 0.230 nan 8.230 nan 0.000 0.441 296 A N -0.075 122.868 122.820 0.206 0.000 2.119 296 A HA -0.037 4.322 4.320 0.066 0.000 0.217 296 A C 1.233 179.016 177.584 0.332 0.000 1.153 296 A CA 0.219 52.428 52.037 0.287 0.000 0.692 296 A CB -0.424 18.762 19.000 0.310 0.000 0.799 296 A HN 0.296 nan 8.150 nan 0.000 0.458 297 L N 0.832 122.274 121.223 0.364 0.000 2.410 297 L HA 0.129 4.509 4.340 0.066 0.000 0.273 297 L C -0.534 176.402 176.870 0.111 0.000 1.144 297 L CA -0.334 54.570 54.840 0.106 0.000 0.863 297 L CB 0.521 42.645 42.059 0.109 0.000 1.140 297 L HN 0.120 nan 8.230 nan 0.000 0.463 298 D N 4.668 125.092 120.400 0.041 0.000 2.456 298 D HA 0.141 4.820 4.640 0.066 0.000 0.219 298 D C 1.047 177.381 176.300 0.057 0.000 1.126 298 D CA -0.153 53.886 54.000 0.064 0.000 0.890 298 D CB 0.854 41.675 40.800 0.037 0.000 1.025 298 D HN 0.534 nan 8.370 nan 0.000 0.511 299 R N 2.204 122.770 120.500 0.110 0.000 2.096 299 R HA -0.107 4.273 4.340 0.066 0.000 0.235 299 R C 1.193 177.529 176.300 0.059 0.000 1.127 299 R CA 1.257 57.428 56.100 0.118 0.000 0.968 299 R CB 0.131 30.563 30.300 0.220 0.000 0.861 299 R HN 0.402 nan 8.270 nan 0.000 0.440 300 D N 0.355 120.774 120.400 0.032 0.000 2.104 300 D HA -0.137 4.542 4.640 0.066 0.000 0.194 300 D C 1.691 177.986 176.300 -0.009 0.000 0.994 300 D CA 1.244 55.246 54.000 0.004 0.000 0.830 300 D CB 0.048 40.843 40.800 -0.008 0.000 0.959 300 D HN 0.115 nan 8.370 nan 0.000 0.452 301 I N 0.192 120.758 120.570 -0.007 0.000 2.099 301 I HA -0.266 3.943 4.170 0.066 0.000 0.239 301 I C 2.154 178.248 176.117 -0.038 0.000 1.066 301 I CA 0.917 62.205 61.300 -0.021 0.000 1.324 301 I CB -0.267 37.721 38.000 -0.020 0.000 1.037 301 I HN 0.070 nan 8.210 nan 0.000 0.401 302 I N -0.026 120.522 120.570 -0.036 0.000 2.076 302 I HA -0.295 3.915 4.170 0.066 0.000 0.237 302 I C 2.497 178.558 176.117 -0.094 0.000 1.059 302 I CA 1.551 62.818 61.300 -0.055 0.000 1.317 302 I CB -0.440 37.546 38.000 -0.024 0.000 1.037 302 I HN 0.001 nan 8.210 nan 0.000 0.398 303 V N 1.182 121.047 119.914 -0.082 0.000 2.261 303 V HA -0.258 3.901 4.120 0.066 0.000 0.246 303 V C 1.844 177.850 176.094 -0.148 0.000 1.047 303 V CA 2.148 64.349 62.300 -0.165 0.000 1.015 303 V CB -0.748 31.026 31.823 -0.082 0.000 0.642 303 V HN 0.477 nan 8.190 nan 0.000 0.446 304 N N -0.664 117.988 118.700 -0.080 0.000 2.356 304 N HA 0.021 4.800 4.740 0.066 0.000 0.178 304 N C 1.551 177.030 175.510 -0.053 0.000 1.075 304 N CA 0.481 53.494 53.050 -0.062 0.000 0.889 304 N CB 0.175 38.642 38.487 -0.034 0.000 0.999 304 N HN 0.487 nan 8.380 nan 0.000 0.464 305 K N 0.338 120.707 120.400 -0.052 0.000 2.273 305 K HA 0.239 4.599 4.320 0.066 0.000 0.206 305 K C 2.008 178.577 176.600 -0.052 0.000 1.072 305 K CA 0.365 56.627 56.287 -0.043 0.000 0.953 305 K CB -0.471 32.010 32.500 -0.032 0.000 1.043 305 K HN -0.119 nan 8.250 nan 0.000 0.477 306 V N 2.456 122.332 119.914 -0.064 0.000 2.283 306 V HA -0.128 4.032 4.120 0.066 0.000 0.243 306 V C 2.506 178.544 176.094 -0.094 0.000 1.039 306 V CA 1.719 63.976 62.300 -0.071 0.000 1.016 306 V CB -0.282 31.497 31.823 -0.074 0.000 0.650 306 V HN 0.295 nan 8.190 nan 0.000 0.449 307 K N -0.340 119.977 120.400 -0.139 0.000 2.157 307 K HA 0.040 4.399 4.320 0.066 0.000 0.207 307 K C 0.799 177.295 176.600 -0.173 0.000 1.030 307 K CA 0.689 56.860 56.287 -0.194 0.000 0.965 307 K CB 0.026 32.331 32.500 -0.325 0.000 0.877 307 K HN 0.401 nan 8.250 nan 0.000 0.460 308 N N 1.800 120.392 118.700 -0.181 0.000 2.667 308 N HA -0.178 4.602 4.740 0.066 0.000 0.263 308 N C -0.603 174.855 175.510 -0.087 0.000 1.038 308 N CA 0.635 53.616 53.050 -0.116 0.000 0.749 308 N CB -0.795 37.663 38.487 -0.048 0.000 0.892 308 N HN 0.389 nan 8.380 nan 0.000 0.546 309 Q N -0.494 119.173 119.800 -0.223 0.000 2.171 309 Q HA 0.315 4.694 4.340 0.066 0.000 0.218 309 Q C 1.258 177.157 176.000 -0.167 0.000 0.822 309 Q CA 0.318 55.941 55.803 -0.300 0.000 0.987 309 Q CB 0.640 28.933 28.738 -0.742 0.000 1.144 309 Q HN 0.601 nan 8.270 nan 0.000 0.494 310 G N 1.118 109.847 108.800 -0.119 0.000 2.154 310 G HA2 -0.145 3.854 3.960 0.066 0.000 0.186 310 G HA3 -0.145 3.854 3.960 0.066 0.000 0.186 310 G C -0.341 174.507 174.900 -0.086 0.000 1.000 310 G CA -0.447 44.615 45.100 -0.064 0.000 0.664 310 G HN 0.255 nan 8.290 nan 0.000 0.513 311 D N 0.427 120.712 120.400 -0.192 0.000 2.344 311 D HA 0.499 5.179 4.640 0.066 0.000 0.244 311 D C 0.288 176.560 176.300 -0.047 0.000 1.134 311 D CA 0.072 53.966 54.000 -0.178 0.000 0.930 311 D CB 1.450 41.858 40.800 -0.653 0.000 1.175 311 D HN -0.005 nan 8.370 nan 0.000 0.437 312 L N 1.747 123.036 121.223 0.110 0.000 2.341 312 L HA 0.336 4.715 4.340 0.066 0.000 0.278 312 L C -2.324 174.665 176.870 0.199 0.000 1.005 312 L CA -2.220 52.737 54.840 0.195 0.000 0.818 312 L CB 1.055 43.304 42.059 0.316 0.000 1.259 312 L HN -0.017 nan 8.230 nan 0.000 0.418 313 P HA 0.115 nan 4.420 nan 0.000 0.264 313 P C -0.693 176.707 177.300 0.166 0.000 1.193 313 P CA -0.021 63.242 63.100 0.272 0.000 0.763 313 P CB 0.593 32.530 31.700 0.395 0.000 0.810 314 A N 3.384 126.113 122.820 -0.152 0.000 2.312 314 A HA 0.571 4.930 4.320 0.066 0.000 0.328 314 A C -0.322 177.091 177.584 -0.285 0.000 1.158 314 A CA -0.409 51.214 52.037 -0.690 0.000 0.821 314 A CB 0.338 18.688 19.000 -1.084 0.000 1.170 314 A HN 0.694 nan 8.150 nan 0.000 0.490 315 Y N -0.029 120.048 120.300 -0.371 0.000 2.610 315 Y HA 0.464 5.053 4.550 0.066 0.000 0.254 315 Y C 0.318 176.188 175.900 -0.049 0.000 1.110 315 Y CA -0.073 57.812 58.100 -0.358 0.000 1.238 315 Y CB -0.421 37.339 38.460 -1.166 0.000 1.322 315 Y HN 0.665 nan 8.280 nan 0.000 0.547 316 S N -1.731 113.815 115.700 -0.255 0.000 2.720 316 S HA 0.370 4.879 4.470 0.066 0.000 0.287 316 S C -0.358 174.227 174.600 -0.024 0.000 1.168 316 S CA -0.495 57.646 58.200 -0.098 0.000 0.832 316 S CB 1.501 64.566 63.200 -0.225 0.000 1.166 316 S HN 0.118 nan 8.310 nan 0.000 0.493 317 Y N 1.804 121.987 120.300 -0.195 0.000 2.222 317 Y HA 0.317 4.908 4.550 0.068 0.000 0.290 317 Y C 1.112 176.806 175.900 -0.344 0.000 1.123 317 Y CA 1.081 59.042 58.100 -0.232 0.000 1.120 317 Y CB -0.848 37.468 38.460 -0.240 0.000 1.060 317 Y HN 0.711 nan 8.280 nan 0.000 0.508 318 T N 5.389 119.621 114.554 -0.537 0.000 2.867 318 T HA 0.131 4.520 4.350 0.066 0.000 0.297 318 T C -2.611 171.534 174.700 -0.925 0.000 0.989 318 T CA -0.861 60.596 62.100 -1.072 0.000 1.159 318 T CB 0.633 69.130 68.868 -0.620 0.000 0.928 318 T HN 0.098 nan 8.240 nan 0.000 0.538 319 P HA 0.119 nan 4.420 nan 0.000 0.268 319 P C -1.783 174.867 177.300 -1.083 0.000 1.204 319 P CA -1.465 60.881 63.100 -1.258 0.000 0.768 319 P CB 0.158 30.994 31.700 -1.440 0.000 0.842 320 P HA -0.141 nan 4.420 nan 0.000 0.225 320 P C 0.532 177.670 177.300 -0.270 0.000 1.148 320 P CA 1.492 64.314 63.100 -0.463 0.000 0.779 320 P CB -0.462 31.080 31.700 -0.264 0.000 0.780 321 Y N -2.761 117.352 120.300 -0.311 0.000 2.468 321 Y HA 0.396 4.984 4.550 0.063 0.000 0.268 321 Y C 0.487 176.288 175.900 -0.165 0.000 1.177 321 Y CA -0.994 56.993 58.100 -0.188 0.000 1.265 321 Y CB -1.678 36.693 38.460 -0.148 0.000 1.103 321 Y HN -0.331 nan 8.280 nan 0.000 0.522 322 T N 2.311 116.609 114.554 -0.426 0.000 2.940 322 T HA -0.086 4.304 4.350 0.066 0.000 0.309 322 T C -0.156 174.448 174.700 -0.159 0.000 1.056 322 T CA -0.115 61.791 62.100 -0.324 0.000 1.137 322 T CB 0.329 68.935 68.868 -0.437 0.000 0.976 322 T HN 0.285 nan 8.240 nan 0.000 0.547 323 D N 1.162 121.505 120.400 -0.094 0.000 2.389 323 D HA 0.226 4.905 4.640 0.066 0.000 0.263 323 D C 1.247 177.519 176.300 -0.047 0.000 1.255 323 D CA 1.263 55.242 54.000 -0.034 0.000 0.914 323 D CB -0.248 40.554 40.800 0.004 0.000 1.116 323 D HN 0.850 nan 8.370 nan 0.000 0.502 324 G N 2.530 111.324 108.800 -0.009 0.000 2.184 324 G HA2 -0.096 3.903 3.960 0.066 0.000 0.206 324 G HA3 -0.096 3.903 3.960 0.066 0.000 0.206 324 G C 0.303 175.231 174.900 0.048 0.000 0.995 324 G CA 0.113 45.238 45.100 0.042 0.000 0.651 324 G HN 0.901 nan 8.290 nan 0.000 0.511 325 A N 0.446 123.241 122.820 -0.042 0.000 2.309 325 A HA 0.729 5.088 4.320 0.066 0.000 0.290 325 A C 0.417 177.987 177.584 -0.023 0.000 1.206 325 A CA 0.116 52.114 52.037 -0.064 0.000 0.850 325 A CB 0.467 19.350 19.000 -0.195 0.000 1.118 325 A HN 0.265 nan 8.150 nan 0.000 0.523 326 K N 3.700 124.106 120.400 0.011 0.000 3.029 326 K HA 0.314 4.673 4.320 0.066 0.000 0.169 326 K C -1.046 175.567 176.600 0.022 0.000 1.090 326 K CA -0.077 56.219 56.287 0.016 0.000 0.883 326 K CB 0.589 33.102 32.500 0.022 0.000 1.080 326 K HN 0.733 nan 8.250 nan 0.000 0.613 327 L N 1.190 122.426 121.223 0.021 0.000 2.395 327 L HA 0.336 4.715 4.340 0.066 0.000 0.269 327 L C 0.328 177.224 176.870 0.044 0.000 1.133 327 L CA -0.970 53.900 54.840 0.050 0.000 0.812 327 L CB 1.062 43.169 42.059 0.080 0.000 1.125 327 L HN -0.047 nan 8.230 nan 0.000 0.452 328 V N 1.816 121.748 119.914 0.030 0.000 2.364 328 V HA 0.091 4.250 4.120 0.066 0.000 0.272 328 V C 0.405 176.425 176.094 -0.123 0.000 1.036 328 V CA -0.516 61.763 62.300 -0.035 0.000 0.880 328 V CB 1.049 32.860 31.823 -0.019 0.000 0.991 328 V HN 0.746 nan 8.190 nan 0.000 0.460 329 E N 8.259 128.276 120.200 -0.306 0.000 2.366 329 E HA 0.171 4.560 4.350 0.066 0.000 0.266 329 E C -2.183 174.132 176.600 -0.474 0.000 1.015 329 E CA -1.444 54.522 56.400 -0.723 0.000 0.906 329 E CB 0.958 30.174 29.700 -0.807 0.000 0.979 329 E HN 0.451 nan 8.360 nan 0.000 0.443 330 P HA 0.010 nan 4.420 nan 0.000 0.271 330 P C 0.175 177.160 177.300 -0.525 0.000 1.218 330 P CA -0.134 62.702 63.100 -0.440 0.000 0.780 330 P CB 0.909 32.319 31.700 -0.484 0.000 0.901 331 E N 1.826 121.828 120.200 -0.329 0.000 2.085 331 E HA -0.152 4.238 4.350 0.066 0.000 0.194 331 E C 1.917 178.033 176.600 -0.806 0.000 0.994 331 E CA 1.413 57.625 56.400 -0.313 0.000 0.801 331 E CB -0.581 29.116 29.700 -0.005 0.000 0.743 331 E HN 0.708 nan 8.360 nan 0.000 0.453 332 W N -0.024 120.661 121.300 -1.025 0.000 2.350 332 W HA -0.190 4.509 4.660 0.066 0.000 0.289 332 W C 1.778 177.898 176.519 -0.664 0.000 1.215 332 W CA 0.440 56.853 57.345 -1.554 0.000 1.236 332 W CB -1.280 27.613 29.460 -0.945 0.000 1.130 332 W HN -0.034 nan 8.180 nan 0.000 0.541 333 F N 2.847 122.104 119.950 -1.154 0.000 2.293 333 F HA -0.040 4.526 4.527 0.066 0.000 0.300 333 F C 2.260 177.847 175.800 -0.355 0.000 1.086 333 F CA 1.840 59.335 58.000 -0.842 0.000 1.375 333 F CB -0.216 38.105 39.000 -1.131 0.000 1.045 333 F HN -0.229 nan 8.300 nan 0.000 0.516 334 K N -0.872 119.350 120.400 -0.296 0.000 2.305 334 K HA -0.084 4.276 4.320 0.066 0.000 0.199 334 K C 0.357 176.995 176.600 0.063 0.000 1.047 334 K CA 0.151 56.359 56.287 -0.131 0.000 0.976 334 K CB -0.241 32.230 32.500 -0.048 0.000 0.765 334 K HN 0.068 nan 8.250 nan 0.000 0.474 335 W N 2.434 123.727 121.300 -0.011 0.000 1.979 335 W HA 0.015 4.715 4.660 0.067 0.000 0.359 335 W C 1.213 177.732 176.519 0.000 0.000 1.354 335 W CA -1.194 56.167 57.345 0.026 0.000 1.359 335 W CB -0.484 29.034 29.460 0.096 0.000 1.248 335 W HN -0.041 nan 8.180 nan 0.000 0.641 336 S N 0.069 115.933 115.700 0.274 0.000 2.632 336 S HA 0.072 4.581 4.470 0.066 0.000 0.267 336 S C 0.780 175.491 174.600 0.186 0.000 1.276 336 S CA -0.373 57.915 58.200 0.148 0.000 0.998 336 S CB 1.448 64.699 63.200 0.085 0.000 0.953 336 S HN 0.403 nan 8.310 nan 0.000 0.547 337 Q N 0.946 120.822 119.800 0.127 0.000 2.119 337 Q HA -0.178 4.201 4.340 0.066 0.000 0.201 337 Q C 2.328 178.411 176.000 0.140 0.000 0.972 337 Q CA 2.300 58.188 55.803 0.143 0.000 0.847 337 Q CB -0.636 28.161 28.738 0.098 0.000 0.903 337 Q HN 0.979 nan 8.270 nan 0.000 0.433 338 Q N -0.152 119.706 119.800 0.098 0.000 2.084 338 Q HA -0.220 4.159 4.340 0.066 0.000 0.202 338 Q C 1.960 178.004 176.000 0.074 0.000 0.978 338 Q CA 1.993 57.840 55.803 0.073 0.000 0.844 338 Q CB -0.353 28.409 28.738 0.041 0.000 0.898 338 Q HN 0.320 nan 8.270 nan 0.000 0.426 339 K N 0.284 120.730 120.400 0.077 0.000 2.057 339 K HA -0.120 4.240 4.320 0.066 0.000 0.206 339 K C 2.280 178.978 176.600 0.163 0.000 1.050 339 K CA 1.128 57.423 56.287 0.014 0.000 0.935 339 K CB 0.021 32.440 32.500 -0.135 0.000 0.715 339 K HN 0.206 nan 8.250 nan 0.000 0.439 340 R N 0.363 121.081 120.500 0.362 0.000 2.073 340 R HA -0.084 4.295 4.340 0.066 0.000 0.234 340 R C 2.094 178.544 176.300 0.250 0.000 1.134 340 R CA 1.633 57.996 56.100 0.439 0.000 0.952 340 R CB -0.344 30.197 30.300 0.401 0.000 0.850 340 R HN 0.288 nan 8.270 nan 0.000 0.433 341 N N 0.777 119.585 118.700 0.180 0.000 2.069 341 N HA -0.175 4.605 4.740 0.066 0.000 0.191 341 N C 1.599 177.170 175.510 0.101 0.000 1.031 341 N CA 1.156 54.285 53.050 0.132 0.000 0.852 341 N CB -0.277 38.275 38.487 0.107 0.000 1.018 341 N HN 0.299 nan 8.380 nan 0.000 0.423 342 E N 0.549 120.797 120.200 0.080 0.000 2.058 342 E HA -0.228 4.161 4.350 0.066 0.000 0.194 342 E C 1.722 178.356 176.600 0.056 0.000 0.997 342 E CA 1.138 57.566 56.400 0.047 0.000 0.801 342 E CB -0.040 29.665 29.700 0.009 0.000 0.746 342 E HN 0.330 nan 8.360 nan 0.000 0.450 343 E N 0.690 120.942 120.200 0.085 0.000 2.077 343 E HA -0.152 4.237 4.350 0.066 0.000 0.193 343 E C 1.784 178.445 176.600 0.101 0.000 0.989 343 E CA 1.408 57.875 56.400 0.111 0.000 0.800 343 E CB -0.220 29.619 29.700 0.232 0.000 0.746 343 E HN 0.236 nan 8.360 nan 0.000 0.452 344 A N 0.808 123.691 122.820 0.105 0.000 1.877 344 A HA -0.227 4.132 4.320 0.066 0.000 0.216 344 A C 2.111 179.721 177.584 0.044 0.000 1.186 344 A CA 1.942 54.018 52.037 0.064 0.000 0.620 344 A CB -0.503 18.543 19.000 0.075 0.000 0.822 344 A HN 0.224 nan 8.150 nan 0.000 0.443 345 K N -0.310 120.122 120.400 0.053 0.000 2.063 345 K HA -0.187 4.172 4.320 0.066 0.000 0.208 345 K C 2.269 178.895 176.600 0.042 0.000 1.048 345 K CA 1.677 57.990 56.287 0.044 0.000 0.928 345 K CB -0.173 32.353 32.500 0.045 0.000 0.713 345 K HN 0.568 nan 8.250 nan 0.000 0.442 346 K N 1.472 121.897 120.400 0.042 0.000 2.026 346 K HA -0.162 4.197 4.320 0.066 0.000 0.208 346 K C 2.051 178.675 176.600 0.039 0.000 1.048 346 K CA 1.266 57.575 56.287 0.037 0.000 0.929 346 K CB -0.127 32.393 32.500 0.033 0.000 0.713 346 K HN 0.068 nan 8.250 nan 0.000 0.439 347 L N 1.061 122.309 121.223 0.041 0.000 2.046 347 L HA -0.177 4.202 4.340 0.066 0.000 0.208 347 L C 2.623 179.521 176.870 0.046 0.000 1.077 347 L CA 0.863 55.725 54.840 0.037 0.000 0.747 347 L CB -0.374 41.701 42.059 0.027 0.000 0.896 347 L HN 0.281 nan 8.230 nan 0.000 0.432 348 L N -0.431 120.820 121.223 0.048 0.000 2.046 348 L HA -0.207 4.172 4.340 0.066 0.000 0.208 348 L C 2.807 179.773 176.870 0.159 0.000 1.077 348 L CA 1.434 56.332 54.840 0.097 0.000 0.747 348 L CB -0.528 41.551 42.059 0.034 0.000 0.896 348 L HN 0.285 nan 8.230 nan 0.000 0.432 349 A N -0.314 122.562 122.820 0.093 0.000 1.933 349 A HA -0.236 4.124 4.320 0.066 0.000 0.218 349 A C 2.022 179.629 177.584 0.038 0.000 1.175 349 A CA 1.588 53.666 52.037 0.069 0.000 0.628 349 A CB -0.414 18.612 19.000 0.044 0.000 0.814 349 A HN 0.482 nan 8.150 nan 0.000 0.444 350 E N -0.336 119.885 120.200 0.035 0.000 2.153 350 E HA -0.088 4.302 4.350 0.066 0.000 0.194 350 E C 1.995 178.596 176.600 0.001 0.000 0.988 350 E CA 0.857 57.265 56.400 0.013 0.000 0.811 350 E CB -0.233 29.477 29.700 0.017 0.000 0.746 350 E HN 0.621 nan 8.360 nan 0.000 0.466 351 A N -0.024 122.819 122.820 0.038 0.000 2.235 351 A HA 0.187 4.546 4.320 0.066 0.000 0.208 351 A C 1.718 179.206 177.584 -0.161 0.000 1.172 351 A CA 0.986 53.036 52.037 0.022 0.000 0.786 351 A CB -0.205 18.902 19.000 0.178 0.000 0.804 351 A HN 0.364 nan 8.150 nan 0.000 0.479 352 G N -2.396 106.294 108.800 -0.184 0.000 2.184 352 G HA2 -0.192 3.808 3.960 0.066 0.000 0.206 352 G HA3 -0.192 3.808 3.960 0.066 0.000 0.206 352 G C -0.059 174.565 174.900 -0.461 0.000 0.995 352 G CA -0.126 44.763 45.100 -0.352 0.000 0.651 352 G HN 0.300 nan 8.290 nan 0.000 0.511 353 F N 2.456 122.379 119.950 -0.045 0.000 2.412 353 F HA 0.607 5.173 4.527 0.066 0.000 0.348 353 F C 1.229 177.015 175.800 -0.024 0.000 1.102 353 F CA 0.589 58.567 58.000 -0.037 0.000 1.196 353 F CB 1.512 40.487 39.000 -0.043 0.000 1.144 353 F HN 0.229 nan 8.300 nan 0.000 0.541 354 T N -1.066 113.568 114.554 0.134 0.000 2.773 354 T HA 0.677 5.066 4.350 0.066 0.000 0.278 354 T C 0.781 175.528 174.700 0.078 0.000 1.011 354 T CA -0.326 61.818 62.100 0.074 0.000 1.014 354 T CB 1.350 70.233 68.868 0.024 0.000 1.293 354 T HN 0.487 nan 8.240 nan 0.000 0.554 355 A N 0.389 123.239 122.820 0.048 0.000 2.014 355 A HA 0.073 4.432 4.320 0.066 0.000 0.218 355 A C 1.606 179.212 177.584 0.037 0.000 1.163 355 A CA 1.598 53.659 52.037 0.041 0.000 0.652 355 A CB -0.972 18.046 19.000 0.029 0.000 0.808 355 A HN 0.915 nan 8.150 nan 0.000 0.449 356 D N -1.884 118.535 120.400 0.032 0.000 2.349 356 D HA 0.078 4.757 4.640 0.066 0.000 0.214 356 D C 0.725 177.044 176.300 0.032 0.000 1.063 356 D CA 0.288 54.303 54.000 0.026 0.000 0.847 356 D CB 0.159 40.967 40.800 0.014 0.000 0.933 356 D HN 0.225 nan 8.370 nan 0.000 0.513 357 K N 1.158 121.588 120.400 0.050 0.000 3.207 357 K HA 0.237 4.597 4.320 0.066 0.000 0.166 357 K C -3.073 173.630 176.600 0.173 0.000 1.079 357 K CA -1.449 54.880 56.287 0.070 0.000 0.818 357 K CB 1.516 34.022 32.500 0.011 0.000 0.967 357 K HN -0.008 nan 8.250 nan 0.000 0.594 358 P HA 0.127 nan 4.420 nan 0.000 0.277 358 P C -0.479 176.936 177.300 0.192 0.000 1.271 358 P CA -0.822 62.383 63.100 0.174 0.000 0.795 358 P CB 0.823 32.561 31.700 0.064 0.000 1.101 359 L N 0.535 121.712 121.223 -0.077 0.000 2.265 359 L HA 0.434 4.813 4.340 0.066 0.000 0.288 359 L C -0.634 176.190 176.870 -0.077 0.000 1.058 359 L CA 0.626 55.272 54.840 -0.323 0.000 0.809 359 L CB 0.019 41.570 42.059 -0.848 0.000 1.179 359 L HN 0.258 nan 8.230 nan 0.000 0.429 360 T N 6.697 121.266 114.554 0.025 0.000 2.848 360 T HA 0.739 5.128 4.350 0.066 0.000 0.285 360 T C -0.862 173.925 174.700 0.145 0.000 0.995 360 T CA -0.135 61.958 62.100 -0.011 0.000 0.970 360 T CB 0.822 69.692 68.868 0.002 0.000 0.976 360 T HN 0.487 nan 8.240 nan 0.000 0.441 361 F N -0.486 119.502 119.950 0.062 0.000 2.779 361 F HA 0.705 5.271 4.527 0.065 0.000 0.316 361 F C -1.403 174.455 175.800 0.098 0.000 1.164 361 F CA -1.388 56.688 58.000 0.127 0.000 0.924 361 F CB 0.806 39.986 39.000 0.300 0.000 1.348 361 F HN 0.215 nan 8.300 nan 0.000 0.467 362 D N 1.692 122.308 120.400 0.360 0.000 2.225 362 D HA 0.413 5.092 4.640 0.066 0.000 0.249 362 D C -1.080 175.427 176.300 0.345 0.000 1.052 362 D CA -0.060 54.084 54.000 0.240 0.000 0.909 362 D CB 2.555 43.478 40.800 0.204 0.000 1.186 362 D HN 0.685 nan 8.370 nan 0.000 0.431 363 L N 2.875 124.252 121.223 0.256 0.000 2.345 363 L HA 0.287 4.666 4.340 0.066 0.000 0.274 363 L C -1.303 175.758 176.870 0.318 0.000 0.999 363 L CA -0.898 54.130 54.840 0.312 0.000 0.849 363 L CB 1.034 43.252 42.059 0.265 0.000 1.220 363 L HN 0.159 nan 8.230 nan 0.000 0.422 364 L N 6.271 127.676 121.223 0.304 0.000 2.292 364 L HA 0.527 4.906 4.340 0.066 0.000 0.284 364 L C -0.965 176.116 176.870 0.353 0.000 1.065 364 L CA 0.110 55.105 54.840 0.257 0.000 0.806 364 L CB 0.968 43.135 42.059 0.180 0.000 1.175 364 L HN 0.520 nan 8.230 nan 0.000 0.431 365 Y N 2.762 123.127 120.300 0.108 0.000 2.588 365 Y HA 0.585 5.174 4.550 0.065 0.000 0.343 365 Y C -0.912 174.763 175.900 -0.374 0.000 1.065 365 Y CA -1.572 56.459 58.100 -0.116 0.000 1.038 365 Y CB 0.784 39.240 38.460 -0.007 0.000 1.297 365 Y HN 0.715 nan 8.280 nan 0.000 0.467 366 N N 0.702 118.924 118.700 -0.797 0.000 2.499 366 N HA 0.127 4.907 4.740 0.066 0.000 0.281 366 N C -0.667 174.807 175.510 -0.060 0.000 1.098 366 N CA -0.343 52.346 53.050 -0.601 0.000 0.979 366 N CB 1.277 39.366 38.487 -0.663 0.000 1.121 366 N HN 0.796 nan 8.380 nan 0.000 0.466 367 T N 1.191 115.700 114.554 -0.076 0.000 2.765 367 T HA 0.086 4.476 4.350 0.066 0.000 0.275 367 T C 0.344 175.137 174.700 0.155 0.000 1.007 367 T CA 0.557 62.694 62.100 0.061 0.000 1.175 367 T CB -0.410 68.468 68.868 0.017 0.000 0.993 367 T HN 0.738 nan 8.240 nan 0.000 0.510 368 S N 1.928 117.762 115.700 0.223 0.000 2.675 368 S HA 0.161 4.670 4.470 0.066 0.000 0.297 368 S C 0.209 174.846 174.600 0.062 0.000 1.035 368 S CA -0.848 57.413 58.200 0.101 0.000 0.852 368 S CB 1.117 64.341 63.200 0.041 0.000 1.051 368 S HN 0.530 nan 8.310 nan 0.000 0.451 369 D N 2.033 122.430 120.400 -0.005 0.000 2.097 369 D HA -0.083 4.596 4.640 0.066 0.000 0.195 369 D C 1.948 178.210 176.300 -0.064 0.000 0.989 369 D CA 1.566 55.555 54.000 -0.018 0.000 0.827 369 D CB -0.165 40.621 40.800 -0.022 0.000 0.966 369 D HN 0.441 nan 8.370 nan 0.000 0.456 370 L N 1.300 122.445 121.223 -0.131 0.000 1.989 370 L HA -0.193 4.187 4.340 0.066 0.000 0.211 370 L C 2.199 179.001 176.870 -0.112 0.000 1.071 370 L CA 1.909 56.649 54.840 -0.167 0.000 0.749 370 L CB -0.830 41.079 42.059 -0.251 0.000 0.890 370 L HN 0.077 nan 8.230 nan 0.000 0.431 371 H N -0.126 118.972 119.070 0.046 0.000 2.389 371 H HA -0.138 4.457 4.556 0.065 0.000 0.299 371 H C 2.201 177.329 175.328 -0.334 0.000 1.081 371 H CA 1.619 57.666 56.048 -0.000 0.000 1.345 371 H CB -0.278 29.549 29.762 0.109 0.000 1.393 371 H HN 0.461 nan 8.280 nan 0.000 0.520 372 K N 1.304 121.532 120.400 -0.287 0.000 2.002 372 K HA -0.130 4.229 4.320 0.066 0.000 0.209 372 K C 2.025 178.479 176.600 -0.243 0.000 1.048 372 K CA 1.129 57.126 56.287 -0.484 0.000 0.930 372 K CB 0.206 32.643 32.500 -0.104 0.000 0.714 372 K HN 0.031 nan 8.250 nan 0.000 0.438 373 K N 0.798 121.124 120.400 -0.122 0.000 2.063 373 K HA -0.144 4.216 4.320 0.066 0.000 0.208 373 K C 2.252 178.803 176.600 -0.082 0.000 1.048 373 K CA 1.278 57.514 56.287 -0.084 0.000 0.928 373 K CB -0.324 32.138 32.500 -0.064 0.000 0.713 373 K HN 0.270 nan 8.250 nan 0.000 0.442 374 L N 0.515 121.703 121.223 -0.059 0.000 2.093 374 L HA -0.139 4.240 4.340 0.066 0.000 0.208 374 L C 2.619 179.480 176.870 -0.015 0.000 1.085 374 L CA 1.054 55.884 54.840 -0.017 0.000 0.755 374 L CB -0.576 41.514 42.059 0.052 0.000 0.904 374 L HN 0.131 nan 8.230 nan 0.000 0.435 375 A N 0.226 123.010 122.820 -0.060 0.000 1.930 375 A HA -0.158 4.201 4.320 0.066 0.000 0.217 375 A C 2.201 179.709 177.584 -0.127 0.000 1.175 375 A CA 1.361 53.334 52.037 -0.105 0.000 0.627 375 A CB -0.585 18.274 19.000 -0.235 0.000 0.815 375 A HN 0.351 nan 8.150 nan 0.000 0.443 376 I N -0.345 120.153 120.570 -0.120 0.000 2.252 376 I HA -0.264 3.946 4.170 0.066 0.000 0.245 376 I C 2.962 179.028 176.117 -0.085 0.000 1.102 376 I CA 1.026 62.278 61.300 -0.081 0.000 1.385 376 I CB -0.325 37.637 38.000 -0.062 0.000 1.064 376 I HN 0.359 nan 8.210 nan 0.000 0.414 377 A N 0.383 123.148 122.820 -0.093 0.000 1.902 377 A HA -0.134 4.225 4.320 0.066 0.000 0.217 377 A C 2.421 179.911 177.584 -0.156 0.000 1.181 377 A CA 1.588 53.566 52.037 -0.099 0.000 0.623 377 A CB -0.906 18.043 19.000 -0.086 0.000 0.818 377 A HN 0.232 nan 8.150 nan 0.000 0.443 378 V N -0.098 119.677 119.914 -0.231 0.000 2.343 378 V HA -0.235 3.925 4.120 0.066 0.000 0.247 378 V C 3.053 178.904 176.094 -0.405 0.000 1.051 378 V CA 1.831 63.849 62.300 -0.471 0.000 1.036 378 V CB -1.229 30.169 31.823 -0.709 0.000 0.654 378 V HN 0.617 nan 8.190 nan 0.000 0.451 379 A N -0.590 122.112 122.820 -0.197 0.000 1.883 379 A HA -0.271 4.089 4.320 0.066 0.000 0.217 379 A C 2.575 180.155 177.584 -0.006 0.000 1.186 379 A CA 2.436 54.451 52.037 -0.037 0.000 0.624 379 A CB -0.895 18.085 19.000 -0.035 0.000 0.822 379 A HN 0.485 nan 8.150 nan 0.000 0.444 380 S N -0.509 115.164 115.700 -0.045 0.000 2.356 380 S HA -0.126 4.383 4.470 0.066 0.000 0.223 380 S C 1.918 176.514 174.600 -0.007 0.000 1.032 380 S CA 1.474 59.661 58.200 -0.021 0.000 1.005 380 S CB -0.540 62.640 63.200 -0.034 0.000 0.867 380 S HN 0.474 nan 8.310 nan 0.000 0.449 381 I N -0.001 120.534 120.570 -0.058 0.000 2.179 381 I HA -0.176 4.033 4.170 0.066 0.000 0.242 381 I C 2.206 178.366 176.117 0.070 0.000 1.088 381 I CA 1.108 62.381 61.300 -0.045 0.000 1.357 381 I CB -0.393 37.519 38.000 -0.148 0.000 1.051 381 I HN 0.424 nan 8.210 nan 0.000 0.409 382 W N 1.478 122.772 121.300 -0.010 0.000 2.388 382 W HA -0.164 4.536 4.660 0.066 0.000 0.294 382 W C 2.664 179.176 176.519 -0.012 0.000 1.212 382 W CA 1.019 58.363 57.345 -0.002 0.000 1.271 382 W CB -0.726 28.736 29.460 0.002 0.000 1.126 382 W HN 0.101 nan 8.180 nan 0.000 0.535 383 K N 1.159 121.675 120.400 0.193 0.000 2.025 383 K HA -0.172 4.187 4.320 0.066 0.000 0.207 383 K C 2.026 178.673 176.600 0.079 0.000 1.049 383 K CA 1.629 57.972 56.287 0.094 0.000 0.933 383 K CB -0.620 31.909 32.500 0.049 0.000 0.714 383 K HN -0.254 nan 8.250 nan 0.000 0.438 384 K N 0.262 120.706 120.400 0.074 0.000 2.057 384 K HA -0.059 4.300 4.320 0.066 0.000 0.206 384 K C 1.281 177.924 176.600 0.072 0.000 1.050 384 K CA 1.458 57.780 56.287 0.058 0.000 0.935 384 K CB -0.141 32.384 32.500 0.042 0.000 0.715 384 K HN 0.181 nan 8.250 nan 0.000 0.439 385 N N 0.271 119.033 118.700 0.104 0.000 2.415 385 N HA -0.056 4.723 4.740 0.066 0.000 0.176 385 N C 1.224 176.804 175.510 0.117 0.000 1.042 385 N CA 0.506 53.624 53.050 0.114 0.000 0.902 385 N CB 0.296 38.871 38.487 0.147 0.000 0.986 385 N HN 0.114 nan 8.380 nan 0.000 0.447 386 L N -1.470 119.828 121.223 0.124 0.000 3.174 386 L HA 0.409 4.789 4.340 0.066 0.000 0.283 386 L C 0.741 177.637 176.870 0.043 0.000 1.187 386 L CA 0.478 55.365 54.840 0.078 0.000 1.018 386 L CB 0.150 42.250 42.059 0.069 0.000 1.433 386 L HN 0.172 nan 8.230 nan 0.000 0.593 387 G N 0.518 109.349 108.800 0.052 0.000 2.176 387 G HA2 -0.218 3.781 3.960 0.066 0.000 0.252 387 G HA3 -0.218 3.781 3.960 0.066 0.000 0.252 387 G C 0.120 175.022 174.900 0.003 0.000 1.024 387 G CA 0.388 45.506 45.100 0.030 0.000 0.755 387 G HN 0.209 nan 8.290 nan 0.000 0.507 388 V N 0.997 120.910 119.914 -0.001 0.000 2.567 388 V HA 0.451 4.611 4.120 0.066 0.000 0.289 388 V C 0.109 176.155 176.094 -0.081 0.000 1.049 388 V CA -0.944 61.321 62.300 -0.058 0.000 0.969 388 V CB 1.608 33.390 31.823 -0.069 0.000 0.995 388 V HN 0.374 nan 8.190 nan 0.000 0.471 389 N N 3.198 121.805 118.700 -0.154 0.000 2.424 389 N HA 0.475 5.255 4.740 0.066 0.000 0.271 389 N C -0.744 174.556 175.510 -0.351 0.000 0.985 389 N CA -0.208 52.743 53.050 -0.165 0.000 0.921 389 N CB 2.153 40.582 38.487 -0.097 0.000 1.149 389 N HN 0.533 nan 8.380 nan 0.000 0.492 390 V N 0.768 120.501 119.914 -0.302 0.000 2.555 390 V HA 0.562 4.722 4.120 0.066 0.000 0.302 390 V C -0.529 175.467 176.094 -0.162 0.000 1.038 390 V CA -0.874 61.179 62.300 -0.412 0.000 0.887 390 V CB 1.526 33.118 31.823 -0.385 0.000 0.991 390 V HN 0.505 nan 8.190 nan 0.000 0.434 391 N N 4.927 123.560 118.700 -0.112 0.000 2.469 391 N HA 0.584 5.364 4.740 0.066 0.000 0.253 391 N C -1.006 174.541 175.510 0.062 0.000 0.970 391 N CA -0.556 52.490 53.050 -0.007 0.000 0.940 391 N CB 1.473 39.966 38.487 0.011 0.000 1.128 391 N HN 0.631 nan 8.380 nan 0.000 0.503 392 L N 2.242 123.522 121.223 0.095 0.000 2.426 392 L HA 0.224 4.603 4.340 0.066 0.000 0.271 392 L C 0.182 177.160 176.870 0.179 0.000 1.169 392 L CA 0.526 55.484 54.840 0.196 0.000 0.836 392 L CB 0.356 42.560 42.059 0.241 0.000 1.112 392 L HN 0.534 nan 8.230 nan 0.000 0.465 393 E N 2.709 123.014 120.200 0.175 0.000 2.260 393 E HA 0.304 4.693 4.350 0.066 0.000 0.266 393 E C -1.138 175.311 176.600 -0.252 0.000 0.887 393 E CA -0.784 55.628 56.400 0.020 0.000 0.777 393 E CB 1.580 31.306 29.700 0.043 0.000 1.205 393 E HN 0.572 nan 8.360 nan 0.000 0.414 394 N N 2.829 121.283 118.700 -0.410 0.000 2.456 394 N HA 0.287 5.067 4.740 0.066 0.000 0.296 394 N C -0.672 174.652 175.510 -0.310 0.000 1.102 394 N CA -0.559 52.041 53.050 -0.749 0.000 0.924 394 N CB 2.002 40.063 38.487 -0.711 0.000 1.186 394 N HN 0.437 nan 8.380 nan 0.000 0.492 395 Q N 0.123 119.769 119.800 -0.256 0.000 2.421 395 Q HA 0.265 4.644 4.340 0.066 0.000 0.280 395 Q C -0.995 174.986 176.000 -0.032 0.000 1.085 395 Q CA -0.869 54.891 55.803 -0.072 0.000 0.807 395 Q CB 2.245 31.005 28.738 0.037 0.000 1.405 395 Q HN 0.546 nan 8.270 nan 0.000 0.419 396 E N 0.943 121.162 120.200 0.032 0.000 2.404 396 E HA -0.086 4.303 4.350 0.066 0.000 0.261 396 E C 0.462 177.179 176.600 0.194 0.000 1.074 396 E CA 0.061 56.517 56.400 0.092 0.000 0.917 396 E CB 0.489 30.242 29.700 0.087 0.000 0.965 396 E HN 0.713 nan 8.360 nan 0.000 0.433 397 W N 3.392 124.704 121.300 0.021 0.000 2.290 397 W HA -0.373 4.327 4.660 0.067 0.000 0.328 397 W C 1.842 178.458 176.519 0.163 0.000 1.272 397 W CA 2.301 59.705 57.345 0.097 0.000 1.262 397 W CB -0.052 29.433 29.460 0.042 0.000 1.151 397 W HN 0.586 nan 8.180 nan 0.000 0.473 398 K N -0.486 119.997 120.400 0.139 0.000 2.063 398 K HA -0.189 4.171 4.320 0.066 0.000 0.208 398 K C 1.992 178.565 176.600 -0.044 0.000 1.048 398 K CA 2.425 58.701 56.287 -0.018 0.000 0.928 398 K CB -0.477 32.075 32.500 0.087 0.000 0.713 398 K HN 0.021 nan 8.250 nan 0.000 0.442 399 T N 0.820 115.389 114.554 0.024 0.000 2.777 399 T HA -0.144 4.245 4.350 0.066 0.000 0.266 399 T C 1.367 176.062 174.700 -0.008 0.000 1.040 399 T CA 1.354 63.461 62.100 0.011 0.000 1.141 399 T CB -0.409 68.480 68.868 0.035 0.000 0.868 399 T HN 0.338 nan 8.240 nan 0.000 0.444 400 F N 2.112 121.969 119.950 -0.155 0.000 2.091 400 F HA -0.107 4.459 4.527 0.065 0.000 0.299 400 F C 1.878 177.491 175.800 -0.312 0.000 1.103 400 F CA 1.270 59.139 58.000 -0.220 0.000 1.228 400 F CB -0.622 38.264 39.000 -0.190 0.000 0.984 400 F HN 0.053 nan 8.300 nan 0.000 0.477 401 L N 0.072 120.980 121.223 -0.526 0.000 2.046 401 L HA -0.203 4.176 4.340 0.066 0.000 0.208 401 L C 2.258 178.945 176.870 -0.304 0.000 1.077 401 L CA 1.798 56.273 54.840 -0.608 0.000 0.747 401 L CB -0.991 40.749 42.059 -0.531 0.000 0.896 401 L HN 0.217 nan 8.230 nan 0.000 0.432 402 D N -0.279 120.018 120.400 -0.170 0.000 2.117 402 D HA -0.181 4.498 4.640 0.066 0.000 0.197 402 D C 1.986 178.245 176.300 -0.069 0.000 0.987 402 D CA 1.768 55.735 54.000 -0.057 0.000 0.829 402 D CB 0.107 40.880 40.800 -0.045 0.000 0.961 402 D HN 0.100 nan 8.370 nan 0.000 0.460 403 T N -0.210 114.257 114.554 -0.144 0.000 2.720 403 T HA -0.146 4.243 4.350 0.066 0.000 0.268 403 T C 2.040 176.640 174.700 -0.166 0.000 1.037 403 T CA 1.361 63.389 62.100 -0.120 0.000 1.144 403 T CB -0.213 68.575 68.868 -0.132 0.000 0.864 403 T HN 0.199 nan 8.240 nan 0.000 0.444 404 R N -0.002 120.219 120.500 -0.465 0.000 2.081 404 R HA -0.058 4.322 4.340 0.066 0.000 0.235 404 R C 2.509 178.736 176.300 -0.122 0.000 1.131 404 R CA 1.200 56.934 56.100 -0.608 0.000 0.960 404 R CB -0.348 29.362 30.300 -0.985 0.000 0.856 404 R HN 0.505 nan 8.270 nan 0.000 0.436 405 H N 0.742 119.761 119.070 -0.085 0.000 2.387 405 H HA -0.092 4.504 4.556 0.065 0.000 0.299 405 H C 2.001 177.422 175.328 0.156 0.000 1.090 405 H CA 1.372 57.435 56.048 0.026 0.000 1.332 405 H CB 0.119 29.842 29.762 -0.064 0.000 1.386 405 H HN 0.365 nan 8.280 nan 0.000 0.516 406 Q N -0.435 119.478 119.800 0.189 0.000 2.224 406 Q HA -0.030 4.349 4.340 0.066 0.000 0.203 406 Q C 1.251 177.287 176.000 0.061 0.000 0.970 406 Q CA 0.811 56.684 55.803 0.117 0.000 0.865 406 Q CB 0.302 29.078 28.738 0.063 0.000 0.922 406 Q HN 0.648 nan 8.270 nan 0.000 0.445 407 G N 1.198 110.077 108.800 0.132 0.000 2.137 407 G HA2 -0.249 3.750 3.960 0.066 0.000 0.237 407 G HA3 -0.249 3.750 3.960 0.066 0.000 0.237 407 G C 0.295 175.180 174.900 -0.024 0.000 1.002 407 G CA 0.466 45.492 45.100 -0.123 0.000 0.702 407 G HN 0.388 nan 8.290 nan 0.000 0.515 408 T N -0.911 113.739 114.554 0.161 0.000 3.591 408 T HA 0.613 5.003 4.350 0.066 0.000 0.232 408 T C -0.030 174.803 174.700 0.222 0.000 1.116 408 T CA 0.102 62.265 62.100 0.105 0.000 1.063 408 T CB -0.658 68.250 68.868 0.067 0.000 1.227 408 T HN 1.624 nan 8.240 nan 0.000 0.685 409 F N -1.825 118.083 119.950 -0.070 0.000 2.773 409 F HA 0.684 5.251 4.527 0.066 0.000 0.314 409 F C -0.947 174.794 175.800 -0.098 0.000 1.160 409 F CA -1.360 56.604 58.000 -0.060 0.000 0.920 409 F CB 0.618 39.573 39.000 -0.075 0.000 1.323 409 F HN -0.130 nan 8.300 nan 0.000 0.457 410 D N 0.550 120.898 120.400 -0.086 0.000 2.845 410 D HA 0.297 4.976 4.640 0.066 0.000 0.272 410 D C -0.331 175.607 176.300 -0.603 0.000 1.275 410 D CA 1.131 54.850 54.000 -0.469 0.000 1.029 410 D CB 0.624 41.327 40.800 -0.162 0.000 1.131 410 D HN 0.249 nan 8.370 nan 0.000 0.423 411 V N 0.445 120.298 119.914 -0.102 0.000 2.735 411 V HA 0.768 4.927 4.120 0.066 0.000 0.310 411 V C -0.742 175.553 176.094 0.336 0.000 1.061 411 V CA -0.905 61.438 62.300 0.071 0.000 0.913 411 V CB 1.872 33.693 31.823 -0.003 0.000 1.005 411 V HN 0.323 nan 8.190 nan 0.000 0.428 412 A N 3.578 126.573 122.820 0.292 0.000 2.449 412 A HA 0.801 5.160 4.320 0.066 0.000 0.302 412 A C -0.509 177.183 177.584 0.180 0.000 1.048 412 A CA -0.793 51.340 52.037 0.160 0.000 0.708 412 A CB 1.740 20.558 19.000 -0.304 0.000 1.274 412 A HN 0.657 nan 8.150 nan 0.000 0.410 413 R N 1.048 121.688 120.500 0.232 0.000 2.570 413 R HA 0.506 4.885 4.340 0.066 0.000 0.277 413 R C -0.291 175.820 176.300 -0.316 0.000 1.039 413 R CA 0.916 56.949 56.100 -0.112 0.000 1.065 413 R CB 0.386 30.623 30.300 -0.106 0.000 0.964 413 R HN 1.125 nan 8.270 nan 0.000 0.428 414 A N 1.998 124.375 122.820 -0.740 0.000 2.556 414 A HA 0.749 5.108 4.320 0.066 0.000 0.294 414 A C -0.862 176.261 177.584 -0.767 0.000 1.091 414 A CA -0.178 51.408 52.037 -0.751 0.000 0.704 414 A CB 2.194 20.490 19.000 -1.172 0.000 1.300 414 A HN 0.706 nan 8.150 nan 0.000 0.406 415 G N 0.241 108.882 108.800 -0.266 0.000 2.668 415 G HA2 0.492 4.491 3.960 0.066 0.000 0.284 415 G HA3 0.492 4.491 3.960 0.066 0.000 0.284 415 G C -1.196 173.842 174.900 0.231 0.000 1.456 415 G CA -0.184 44.962 45.100 0.075 0.000 1.214 415 G HN 0.783 nan 8.290 nan 0.000 0.568 416 W N 3.449 124.852 121.300 0.171 0.000 2.478 416 W HA 0.560 5.262 4.660 0.070 0.000 0.318 416 W C -1.040 175.322 176.519 -0.262 0.000 1.062 416 W CA -0.768 56.533 57.345 -0.073 0.000 1.210 416 W CB 1.823 31.183 29.460 -0.166 0.000 1.325 416 W HN 0.436 nan 8.180 nan 0.000 0.496 417 c N 4.679 122.748 118.600 -0.885 0.000 2.382 417 c HA 0.626 5.235 4.570 0.066 0.000 0.327 417 c C 0.867 174.371 174.090 -0.977 0.000 1.250 417 c CA -0.562 55.313 56.329 -0.756 0.000 1.707 417 c CB 0.489 42.623 42.510 -0.628 0.000 2.272 417 c HN 0.704 nan 8.230 nan 0.000 0.506 418 A N 2.382 124.905 122.820 -0.495 0.000 2.520 418 A HA 0.164 4.524 4.320 0.066 0.000 0.235 418 A C 0.853 178.258 177.584 -0.299 0.000 1.065 418 A CA 0.420 52.247 52.037 -0.350 0.000 0.764 418 A CB 0.203 19.172 19.000 -0.051 0.000 1.002 418 A HN 0.930 nan 8.150 nan 0.000 0.502 419 D N -0.900 119.370 120.400 -0.216 0.000 2.338 419 D HA 0.169 4.849 4.640 0.066 0.000 0.208 419 D C -0.319 176.092 176.300 0.186 0.000 0.997 419 D CA 1.424 55.432 54.000 0.014 0.000 0.880 419 D CB 0.210 41.056 40.800 0.075 0.000 0.980 419 D HN 0.676 nan 8.370 nan 0.000 0.509 420 Y N -1.537 118.779 120.300 0.026 0.000 2.544 420 Y HA 0.471 5.058 4.550 0.063 0.000 0.342 420 Y C -0.711 175.169 175.900 -0.033 0.000 1.062 420 Y CA -1.523 56.576 58.100 -0.002 0.000 1.023 420 Y CB 0.475 38.923 38.460 -0.019 0.000 1.308 420 Y HN -0.403 nan 8.280 nan 0.000 0.457 421 N N 3.056 121.789 118.700 0.056 0.000 2.739 421 N HA 0.193 4.973 4.740 0.066 0.000 0.266 421 N C -1.146 174.320 175.510 -0.073 0.000 1.168 421 N CA 0.425 53.454 53.050 -0.036 0.000 1.055 421 N CB -0.199 38.298 38.487 0.016 0.000 1.393 421 N HN 0.776 nan 8.380 nan 0.000 0.514 422 E N 2.368 122.438 120.200 -0.217 0.000 2.400 422 E HA 0.209 4.599 4.350 0.066 0.000 0.285 422 E C -2.359 173.974 176.600 -0.446 0.000 1.005 422 E CA -1.431 54.791 56.400 -0.298 0.000 0.816 422 E CB 1.814 31.326 29.700 -0.312 0.000 1.220 422 E HN 0.078 nan 8.360 nan 0.000 0.426 423 P HA -0.156 nan 4.420 nan 0.000 0.217 423 P C 1.195 178.136 177.300 -0.599 0.000 1.148 423 P CA 2.093 64.800 63.100 -0.654 0.000 0.828 423 P CB 0.029 31.154 31.700 -0.960 0.000 0.783 424 T N -4.401 109.785 114.554 -0.614 0.000 3.007 424 T HA -0.102 4.287 4.350 0.066 0.000 0.270 424 T C 1.980 176.484 174.700 -0.326 0.000 1.107 424 T CA 1.290 63.194 62.100 -0.325 0.000 1.118 424 T CB -1.174 67.664 68.868 -0.050 0.000 0.889 424 T HN 0.008 nan 8.240 nan 0.000 0.506 425 S N -0.144 115.209 115.700 -0.577 0.000 2.400 425 S HA -0.006 4.504 4.470 0.066 0.000 0.232 425 S C 1.321 175.780 174.600 -0.234 0.000 1.025 425 S CA 0.767 58.555 58.200 -0.687 0.000 0.993 425 S CB -0.542 61.989 63.200 -1.115 0.000 0.808 425 S HN 0.568 nan 8.310 nan 0.000 0.478 426 F N 0.936 120.687 119.950 -0.331 0.000 2.164 426 F HA 0.310 4.875 4.527 0.063 0.000 0.287 426 F C 1.991 177.614 175.800 -0.296 0.000 1.086 426 F CA 0.602 58.351 58.000 -0.417 0.000 1.249 426 F CB -0.556 38.072 39.000 -0.620 0.000 1.059 426 F HN 0.088 nan 8.300 nan 0.000 0.490 427 L N 0.144 121.374 121.223 0.012 0.000 2.127 427 L HA -0.267 4.113 4.340 0.066 0.000 0.211 427 L C 1.932 178.881 176.870 0.132 0.000 1.089 427 L CA 1.034 55.977 54.840 0.172 0.000 0.757 427 L CB -0.725 41.384 42.059 0.083 0.000 0.899 427 L HN 0.170 nan 8.230 nan 0.000 0.434 428 N N -0.466 118.143 118.700 -0.151 0.000 2.364 428 N HA -0.145 4.635 4.740 0.066 0.000 0.183 428 N C 1.910 177.290 175.510 -0.216 0.000 1.022 428 N CA 1.759 54.632 53.050 -0.295 0.000 0.883 428 N CB -0.414 37.482 38.487 -0.985 0.000 0.965 428 N HN 0.470 nan 8.380 nan 0.000 0.438 429 T N -2.359 112.036 114.554 -0.265 0.000 3.072 429 T HA 0.036 4.425 4.350 0.066 0.000 0.266 429 T C 1.435 176.032 174.700 -0.172 0.000 1.127 429 T CA 0.606 62.547 62.100 -0.266 0.000 1.107 429 T CB 0.001 68.448 68.868 -0.702 0.000 0.910 429 T HN -0.022 nan 8.240 nan 0.000 0.513 430 M N 0.240 119.797 119.600 -0.072 0.000 2.428 430 M HA 0.381 4.900 4.480 0.066 0.000 0.239 430 M C -0.074 176.276 176.300 0.084 0.000 1.121 430 M CA -0.320 54.895 55.300 -0.143 0.000 1.019 430 M CB -0.603 31.676 32.600 -0.536 0.000 1.485 430 M HN 0.236 nan 8.290 nan 0.000 0.484 431 L N 1.586 122.952 121.223 0.238 0.000 2.514 431 L HA -0.015 4.364 4.340 0.066 0.000 0.280 431 L C 1.805 178.754 176.870 0.131 0.000 1.223 431 L CA 0.603 55.608 54.840 0.275 0.000 0.864 431 L CB 0.604 42.802 42.059 0.232 0.000 1.118 431 L HN 0.402 nan 8.230 nan 0.000 0.494 432 S N 1.480 117.237 115.700 0.096 0.000 2.380 432 S HA -0.207 4.302 4.470 0.066 0.000 0.229 432 S C 0.983 175.596 174.600 0.022 0.000 1.043 432 S CA 1.299 59.509 58.200 0.016 0.000 1.038 432 S CB -0.414 62.784 63.200 -0.003 0.000 0.872 432 S HN 0.778 nan 8.310 nan 0.000 0.456 433 D N 0.986 121.416 120.400 0.049 0.000 2.340 433 D HA 0.205 4.884 4.640 0.066 0.000 0.217 433 D C 0.409 176.737 176.300 0.046 0.000 1.081 433 D CA -0.020 54.004 54.000 0.040 0.000 0.842 433 D CB -0.331 40.496 40.800 0.045 0.000 0.934 433 D HN 0.360 nan 8.370 nan 0.000 0.511 434 S N 0.357 116.097 115.700 0.067 0.000 2.549 434 S HA 0.105 4.614 4.470 0.066 0.000 0.283 434 S C 1.552 176.164 174.600 0.020 0.000 1.320 434 S CA 0.104 58.358 58.200 0.090 0.000 1.058 434 S CB 0.783 64.065 63.200 0.136 0.000 0.882 434 S HN 0.294 nan 8.310 nan 0.000 0.498 435 S N 3.812 119.513 115.700 0.001 0.000 2.474 435 S HA -0.079 4.430 4.470 0.066 0.000 0.235 435 S C 0.943 175.541 174.600 -0.004 0.000 0.997 435 S CA 1.112 59.295 58.200 -0.029 0.000 0.949 435 S CB -0.617 62.540 63.200 -0.071 0.000 0.766 435 S HN 0.860 nan 8.310 nan 0.000 0.517 436 N N 1.569 120.247 118.700 -0.036 0.000 2.336 436 N HA 0.139 4.918 4.740 0.066 0.000 0.189 436 N C 0.041 175.421 175.510 -0.217 0.000 1.113 436 N CA -0.083 52.898 53.050 -0.115 0.000 0.858 436 N CB -0.026 38.321 38.487 -0.233 0.000 0.970 436 N HN 0.232 nan 8.380 nan 0.000 0.471 437 N N 1.348 119.940 118.700 -0.180 0.000 2.739 437 N HA 0.002 4.781 4.740 0.066 0.000 0.266 437 N C 0.446 175.703 175.510 -0.422 0.000 1.168 437 N CA 0.212 53.107 53.050 -0.258 0.000 1.055 437 N CB 0.260 38.644 38.487 -0.171 0.000 1.393 437 N HN 0.210 nan 8.380 nan 0.000 0.514 438 T N -1.355 112.938 114.554 -0.434 0.000 3.100 438 T HA 0.139 4.528 4.350 0.066 0.000 0.253 438 T C 1.544 176.138 174.700 -0.177 0.000 1.118 438 T CA 0.336 62.153 62.100 -0.472 0.000 1.058 438 T CB 0.211 68.766 68.868 -0.522 0.000 0.953 438 T HN 0.274 nan 8.240 nan 0.000 0.515 439 A N 1.152 123.873 122.820 -0.165 0.000 2.119 439 A HA 0.063 4.422 4.320 0.066 0.000 0.216 439 A C 0.914 178.547 177.584 0.082 0.000 1.152 439 A CA 0.313 52.351 52.037 0.002 0.000 0.708 439 A CB -0.765 18.166 19.000 -0.115 0.000 0.805 439 A HN 0.724 nan 8.150 nan 0.000 0.460 440 H N -3.057 116.009 119.070 -0.006 0.000 2.770 440 H HA -0.226 4.369 4.556 0.066 0.000 0.309 440 H C -0.589 174.742 175.328 0.006 0.000 1.206 440 H CA 1.116 57.156 56.048 -0.014 0.000 1.147 440 H CB -2.012 27.724 29.762 -0.044 0.000 1.422 440 H HN 0.696 nan 8.280 nan 0.000 0.420 441 Y N 1.439 121.679 120.300 -0.100 0.000 2.326 441 Y HA 0.410 5.000 4.550 0.066 0.000 0.337 441 Y C -0.175 175.659 175.900 -0.110 0.000 1.023 441 Y CA -0.475 57.547 58.100 -0.130 0.000 1.143 441 Y CB 0.892 39.211 38.460 -0.235 0.000 1.183 441 Y HN 0.045 nan 8.280 nan 0.000 0.485 442 K N 4.984 125.052 120.400 -0.553 0.000 2.616 442 K HA 0.332 4.691 4.320 0.066 0.000 0.241 442 K C -1.329 174.939 176.600 -0.552 0.000 0.961 442 K CA -0.562 55.471 56.287 -0.425 0.000 0.942 442 K CB 1.538 33.926 32.500 -0.185 0.000 1.153 442 K HN 0.538 nan 8.250 nan 0.000 0.452 443 S N 3.527 118.901 115.700 -0.544 0.000 2.756 443 S HA 0.367 4.876 4.470 0.066 0.000 0.303 443 S C -2.180 172.400 174.600 -0.034 0.000 1.135 443 S CA -1.762 56.255 58.200 -0.306 0.000 1.066 443 S CB 1.083 64.082 63.200 -0.335 0.000 1.008 443 S HN 0.210 nan 8.310 nan 0.000 0.482 444 P HA -0.059 nan 4.420 nan 0.000 0.215 444 P C 1.471 178.805 177.300 0.056 0.000 1.153 444 P CA 1.567 64.680 63.100 0.022 0.000 0.853 444 P CB 0.089 31.792 31.700 0.005 0.000 0.788 445 A N -0.963 121.898 122.820 0.069 0.000 1.858 445 A HA -0.214 4.146 4.320 0.066 0.000 0.216 445 A C 2.163 179.825 177.584 0.129 0.000 1.190 445 A CA 1.556 53.646 52.037 0.087 0.000 0.617 445 A CB -1.851 17.206 19.000 0.096 0.000 0.827 445 A HN 0.162 nan 8.150 nan 0.000 0.443 446 F N 1.328 121.312 119.950 0.057 0.000 2.095 446 F HA -0.223 4.342 4.527 0.065 0.000 0.298 446 F C 1.838 177.688 175.800 0.082 0.000 1.104 446 F CA 2.264 60.326 58.000 0.103 0.000 1.232 446 F CB -0.280 38.840 39.000 0.201 0.000 0.987 446 F HN 0.251 nan 8.300 nan 0.000 0.475 447 D N 0.418 120.940 120.400 0.202 0.000 2.116 447 D HA -0.228 4.451 4.640 0.066 0.000 0.193 447 D C 2.128 178.422 176.300 -0.009 0.000 0.998 447 D CA 1.622 55.679 54.000 0.096 0.000 0.836 447 D CB -0.450 40.422 40.800 0.120 0.000 0.951 447 D HN 0.180 nan 8.370 nan 0.000 0.449 448 K N 0.775 121.175 120.400 0.001 0.000 2.057 448 K HA -0.055 4.304 4.320 0.066 0.000 0.207 448 K C 2.160 178.730 176.600 -0.049 0.000 1.049 448 K CA 0.822 57.102 56.287 -0.011 0.000 0.931 448 K CB -0.627 31.875 32.500 0.004 0.000 0.714 448 K HN 0.130 nan 8.250 nan 0.000 0.440 449 L N 0.328 121.496 121.223 -0.091 0.000 2.042 449 L HA -0.204 4.176 4.340 0.066 0.000 0.210 449 L C 2.207 178.996 176.870 -0.134 0.000 1.076 449 L CA 0.911 55.679 54.840 -0.119 0.000 0.749 449 L CB -0.476 41.493 42.059 -0.150 0.000 0.893 449 L HN 0.203 nan 8.230 nan 0.000 0.432 450 I N -0.086 120.362 120.570 -0.204 0.000 2.315 450 I HA -0.201 4.009 4.170 0.066 0.000 0.248 450 I C 2.841 178.961 176.117 0.006 0.000 1.117 450 I CA 1.432 62.674 61.300 -0.097 0.000 1.404 450 I CB -1.612 36.295 38.000 -0.155 0.000 1.071 450 I HN 0.173 nan 8.210 nan 0.000 0.419 451 A N 0.885 123.704 122.820 -0.001 0.000 1.908 451 A HA -0.231 4.128 4.320 0.066 0.000 0.218 451 A C 1.916 179.500 177.584 -0.002 0.000 1.181 451 A CA 2.053 54.105 52.037 0.025 0.000 0.627 451 A CB -0.659 18.355 19.000 0.022 0.000 0.818 451 A HN 0.359 nan 8.150 nan 0.000 0.445 452 D N -0.452 119.935 120.400 -0.022 0.000 2.264 452 D HA -0.103 4.576 4.640 0.066 0.000 0.208 452 D C 2.215 178.488 176.300 -0.045 0.000 0.966 452 D CA 1.712 55.692 54.000 -0.034 0.000 0.864 452 D CB -0.592 40.181 40.800 -0.045 0.000 0.933 452 D HN 0.674 nan 8.370 nan 0.000 0.499 453 T N -1.374 113.156 114.554 -0.040 0.000 2.881 453 T HA -0.097 4.292 4.350 0.066 0.000 0.270 453 T C 1.835 176.533 174.700 -0.003 0.000 1.068 453 T CA 0.663 62.725 62.100 -0.063 0.000 1.131 453 T CB -0.274 68.579 68.868 -0.024 0.000 0.871 453 T HN 0.167 nan 8.240 nan 0.000 0.479 454 L N -0.423 120.807 121.223 0.012 0.000 2.667 454 L HA 0.361 4.740 4.340 0.066 0.000 0.232 454 L C 2.097 178.949 176.870 -0.030 0.000 1.138 454 L CA 0.125 54.961 54.840 -0.006 0.000 0.921 454 L CB 0.045 42.064 42.059 -0.066 0.000 1.180 454 L HN 0.200 nan 8.230 nan 0.000 0.487 455 K N -0.077 120.306 120.400 -0.028 0.000 2.367 455 K HA 0.114 4.473 4.320 0.066 0.000 0.194 455 K C 0.388 176.979 176.600 -0.016 0.000 1.027 455 K CA 0.077 56.349 56.287 -0.024 0.000 1.075 455 K CB 0.834 33.319 32.500 -0.025 0.000 0.845 455 K HN 0.155 nan 8.250 nan 0.000 0.529 456 V N -2.451 117.452 119.914 -0.019 0.000 2.732 456 V HA 0.675 4.834 4.120 0.066 0.000 0.310 456 V C 0.100 176.194 176.094 -0.000 0.000 1.053 456 V CA -0.839 61.451 62.300 -0.017 0.000 0.957 456 V CB 1.597 33.398 31.823 -0.037 0.000 1.018 456 V HN -0.042 nan 8.190 nan 0.000 0.452 457 A N 2.532 125.358 122.820 0.011 0.000 2.701 457 A HA 0.506 4.866 4.320 0.066 0.000 0.297 457 A C 0.143 177.746 177.584 0.030 0.000 1.197 457 A CA 0.039 52.095 52.037 0.031 0.000 0.963 457 A CB -0.832 18.198 19.000 0.050 0.000 1.175 457 A HN 1.085 nan 8.150 nan 0.000 0.531 458 D N -1.665 118.742 120.400 0.013 0.000 2.753 458 D HA 0.133 4.813 4.640 0.066 0.000 0.224 458 D C -1.124 175.175 176.300 -0.001 0.000 1.213 458 D CA -0.416 53.592 54.000 0.015 0.000 0.833 458 D CB 0.815 41.624 40.800 0.013 0.000 1.607 458 D HN -0.136 nan 8.370 nan 0.000 0.463 459 D N 0.945 121.354 120.400 0.014 0.000 2.178 459 D HA -0.102 4.577 4.640 0.066 0.000 0.201 459 D C 1.715 178.004 176.300 -0.019 0.000 0.980 459 D CA 1.461 55.468 54.000 0.011 0.000 0.842 459 D CB -0.004 40.822 40.800 0.043 0.000 0.948 459 D HN 0.485 nan 8.370 nan 0.000 0.472 460 T N 0.861 115.406 114.554 -0.014 0.000 2.737 460 T HA -0.137 4.253 4.350 0.066 0.000 0.265 460 T C 2.002 176.671 174.700 -0.053 0.000 1.038 460 T CA 0.981 63.068 62.100 -0.022 0.000 1.144 460 T CB -0.150 68.713 68.868 -0.008 0.000 0.866 460 T HN 0.234 nan 8.240 nan 0.000 0.434 461 Q N 0.343 120.107 119.800 -0.060 0.000 2.119 461 Q HA -0.002 4.378 4.340 0.066 0.000 0.201 461 Q C 2.570 178.473 176.000 -0.160 0.000 0.972 461 Q CA 0.963 56.716 55.803 -0.083 0.000 0.847 461 Q CB -0.112 28.589 28.738 -0.062 0.000 0.903 461 Q HN 0.371 nan 8.270 nan 0.000 0.433 462 R N 0.064 120.443 120.500 -0.202 0.000 2.073 462 R HA -0.118 4.262 4.340 0.066 0.000 0.234 462 R C 2.356 178.260 176.300 -0.660 0.000 1.134 462 R CA 1.641 57.484 56.100 -0.428 0.000 0.952 462 R CB -0.081 30.041 30.300 -0.297 0.000 0.850 462 R HN 0.082 nan 8.270 nan 0.000 0.433 463 S N 0.447 115.964 115.700 -0.306 0.000 2.382 463 S HA -0.131 4.378 4.470 0.066 0.000 0.228 463 S C 1.533 176.080 174.600 -0.088 0.000 1.027 463 S CA 1.306 59.436 58.200 -0.117 0.000 0.991 463 S CB -0.092 63.112 63.200 0.005 0.000 0.823 463 S HN 0.423 nan 8.310 nan 0.000 0.469 464 E N 0.704 120.840 120.200 -0.107 0.000 2.106 464 E HA -0.043 4.346 4.350 0.066 0.000 0.192 464 E C 1.964 178.520 176.600 -0.073 0.000 0.984 464 E CA 0.702 57.065 56.400 -0.062 0.000 0.806 464 E CB -0.200 29.469 29.700 -0.051 0.000 0.750 464 E HN 0.425 nan 8.360 nan 0.000 0.458 465 L N 0.103 121.229 121.223 -0.162 0.000 2.093 465 L HA -0.185 4.194 4.340 0.066 0.000 0.208 465 L C 2.283 179.116 176.870 -0.062 0.000 1.085 465 L CA 0.917 55.667 54.840 -0.150 0.000 0.755 465 L CB -0.384 41.539 42.059 -0.227 0.000 0.904 465 L HN 0.155 nan 8.230 nan 0.000 0.435 466 Y N -0.082 120.191 120.300 -0.044 0.000 2.181 466 Y HA -0.189 4.400 4.550 0.066 0.000 0.288 466 Y C 2.638 178.523 175.900 -0.025 0.000 1.146 466 Y CA 0.571 58.641 58.100 -0.050 0.000 1.164 466 Y CB -1.265 37.160 38.460 -0.059 0.000 0.982 466 Y HN 0.120 nan 8.280 nan 0.000 0.515 467 A N 0.218 123.115 122.820 0.129 0.000 1.877 467 A HA -0.228 4.132 4.320 0.066 0.000 0.216 467 A C 2.255 179.884 177.584 0.077 0.000 1.186 467 A CA 1.967 54.053 52.037 0.082 0.000 0.620 467 A CB -0.609 18.420 19.000 0.049 0.000 0.822 467 A HN 0.402 nan 8.150 nan 0.000 0.443 468 K N -0.384 120.049 120.400 0.055 0.000 2.097 468 K HA -0.022 4.338 4.320 0.066 0.000 0.206 468 K C 2.252 178.906 176.600 0.089 0.000 1.049 468 K CA 1.059 57.380 56.287 0.057 0.000 0.933 468 K CB -0.297 32.219 32.500 0.025 0.000 0.717 468 K HN 0.453 nan 8.250 nan 0.000 0.442 469 A N 1.462 124.330 122.820 0.081 0.000 1.902 469 A HA -0.183 4.176 4.320 0.066 0.000 0.217 469 A C 1.911 179.675 177.584 0.300 0.000 1.181 469 A CA 1.404 53.510 52.037 0.115 0.000 0.623 469 A CB -0.268 18.679 19.000 -0.089 0.000 0.818 469 A HN 0.163 nan 8.150 nan 0.000 0.443 470 E N -0.010 120.314 120.200 0.208 0.000 2.110 470 E HA -0.208 4.181 4.350 0.066 0.000 0.193 470 E C 2.184 178.877 176.600 0.154 0.000 0.988 470 E CA 1.312 57.818 56.400 0.176 0.000 0.804 470 E CB -0.362 29.405 29.700 0.111 0.000 0.745 470 E HN 0.773 nan 8.360 nan 0.000 0.458 471 Q N 0.232 120.116 119.800 0.140 0.000 2.124 471 Q HA -0.218 4.161 4.340 0.066 0.000 0.202 471 Q C 2.214 178.300 176.000 0.143 0.000 0.977 471 Q CA 1.451 57.330 55.803 0.127 0.000 0.850 471 Q CB -0.103 28.695 28.738 0.099 0.000 0.901 471 Q HN 0.101 nan 8.270 nan 0.000 0.429 472 Q N 0.782 120.692 119.800 0.183 0.000 2.050 472 Q HA -0.170 4.209 4.340 0.066 0.000 0.202 472 Q C 1.827 177.940 176.000 0.188 0.000 0.980 472 Q CA 1.181 57.114 55.803 0.217 0.000 0.840 472 Q CB -0.315 28.613 28.738 0.317 0.000 0.898 472 Q HN 0.273 nan 8.270 nan 0.000 0.424 473 L N 0.746 122.058 121.223 0.148 0.000 2.012 473 L HA -0.169 4.211 4.340 0.066 0.000 0.210 473 L C 1.883 178.702 176.870 -0.085 0.000 1.073 473 L CA 2.469 57.234 54.840 -0.124 0.000 0.748 473 L CB -0.942 41.003 42.059 -0.190 0.000 0.891 473 L HN 0.412 nan 8.230 nan 0.000 0.431 474 D N -0.961 119.459 120.400 0.034 0.000 2.144 474 D HA -0.242 4.437 4.640 0.066 0.000 0.200 474 D C 2.260 178.611 176.300 0.084 0.000 0.978 474 D CA 1.257 55.314 54.000 0.094 0.000 0.833 474 D CB -0.063 40.867 40.800 0.216 0.000 0.961 474 D HN 0.254 nan 8.370 nan 0.000 0.470 475 K N -0.042 120.416 120.400 0.098 0.000 2.063 475 K HA -0.156 4.204 4.320 0.066 0.000 0.208 475 K C 0.803 177.441 176.600 0.064 0.000 1.048 475 K CA 1.624 57.966 56.287 0.091 0.000 0.928 475 K CB -0.003 32.560 32.500 0.105 0.000 0.713 475 K HN 0.116 nan 8.250 nan 0.000 0.442 476 D N 0.398 120.838 120.400 0.067 0.000 2.349 476 D HA 0.015 4.694 4.640 0.066 0.000 0.224 476 D C -0.226 176.078 176.300 0.007 0.000 1.029 476 D CA 0.345 54.389 54.000 0.074 0.000 0.879 476 D CB 0.295 41.215 40.800 0.200 0.000 0.906 476 D HN 0.050 nan 8.370 nan 0.000 0.528 477 S N 0.079 115.753 115.700 -0.043 0.000 3.524 477 S HA -0.251 4.258 4.470 0.066 0.000 0.377 477 S C 1.423 175.952 174.600 -0.119 0.000 0.949 477 S CA 0.286 58.433 58.200 -0.088 0.000 1.264 477 S CB -1.124 62.021 63.200 -0.091 0.000 0.918 477 S HN 0.521 nan 8.310 nan 0.000 0.517 478 A N 0.423 123.098 122.820 -0.241 0.000 1.933 478 A HA 0.256 4.615 4.320 0.066 0.000 0.218 478 A C 0.997 178.424 177.584 -0.263 0.000 1.175 478 A CA 1.472 53.285 52.037 -0.374 0.000 0.628 478 A CB -0.390 18.024 19.000 -0.977 0.000 0.814 478 A HN 1.060 nan 8.150 nan 0.000 0.444 479 I N -5.612 114.818 120.570 -0.233 0.000 3.239 479 I HA 0.662 4.871 4.170 0.066 0.000 0.314 479 I C -1.085 175.043 176.117 0.018 0.000 1.126 479 I CA -1.270 59.973 61.300 -0.095 0.000 0.973 479 I CB 2.319 40.165 38.000 -0.255 0.000 1.252 479 I HN -0.259 nan 8.210 nan 0.000 0.463 480 V N 2.744 122.766 119.914 0.181 0.000 2.266 480 V HA 0.381 4.541 4.120 0.066 0.000 0.271 480 V C -2.370 173.890 176.094 0.277 0.000 1.032 480 V CA -1.528 60.918 62.300 0.243 0.000 0.806 480 V CB 0.492 32.563 31.823 0.413 0.000 1.052 480 V HN 0.592 nan 8.190 nan 0.000 0.449 481 P HA 0.139 nan 4.420 nan 0.000 0.268 481 P C 0.507 177.910 177.300 0.172 0.000 1.204 481 P CA 0.442 63.632 63.100 0.151 0.000 0.768 481 P CB 1.497 33.247 31.700 0.083 0.000 0.842 482 V N 2.664 122.629 119.914 0.084 0.000 2.870 482 V HA 0.205 4.364 4.120 0.066 0.000 0.232 482 V C -0.022 176.085 176.094 0.021 0.000 1.161 482 V CA 1.066 63.412 62.300 0.077 0.000 1.204 482 V CB -0.562 31.284 31.823 0.038 0.000 1.003 482 V HN 0.586 nan 8.190 nan 0.000 0.499 483 Y N -2.361 117.847 120.300 -0.153 0.000 2.656 483 Y HA 0.728 5.316 4.550 0.064 0.000 0.334 483 Y C -1.717 174.014 175.900 -0.282 0.000 1.179 483 Y CA -2.452 55.478 58.100 -0.283 0.000 1.050 483 Y CB 0.563 38.901 38.460 -0.204 0.000 1.308 483 Y HN 0.075 nan 8.280 nan 0.000 0.456 484 Y N 1.730 122.249 120.300 0.365 0.000 2.350 484 Y HA 0.417 5.007 4.550 0.066 0.000 0.340 484 Y C -0.333 175.880 175.900 0.520 0.000 1.006 484 Y CA -0.959 57.355 58.100 0.357 0.000 1.166 484 Y CB 0.132 38.789 38.460 0.329 0.000 1.168 484 Y HN 0.554 nan 8.280 nan 0.000 0.502 485 Y N 1.776 122.380 120.300 0.505 0.000 2.426 485 Y HA 0.326 4.915 4.550 0.066 0.000 0.344 485 Y C 0.557 176.687 175.900 0.384 0.000 1.256 485 Y CA -0.584 57.800 58.100 0.473 0.000 1.451 485 Y CB 0.429 39.103 38.460 0.357 0.000 1.342 485 Y HN 0.391 nan 8.280 nan 0.000 0.600 486 V N -0.183 120.018 119.914 0.477 0.000 2.769 486 V HA 0.490 4.650 4.120 0.066 0.000 0.312 486 V C -0.542 175.731 176.094 0.298 0.000 1.061 486 V CA -1.329 61.151 62.300 0.299 0.000 0.931 486 V CB 1.945 33.831 31.823 0.105 0.000 1.010 486 V HN 0.738 nan 8.190 nan 0.000 0.433 487 N N 2.805 121.561 118.700 0.093 0.000 2.602 487 N HA 0.525 5.304 4.740 0.066 0.000 0.238 487 N C -0.280 175.155 175.510 -0.126 0.000 1.084 487 N CA 0.224 53.127 53.050 -0.246 0.000 0.952 487 N CB 0.585 38.673 38.487 -0.665 0.000 1.244 487 N HN 1.171 nan 8.380 nan 0.000 0.512 488 A N 3.925 126.691 122.820 -0.090 0.000 2.288 488 A HA 0.809 5.168 4.320 0.066 0.000 0.320 488 A C -0.155 177.365 177.584 -0.107 0.000 1.217 488 A CA -0.672 51.325 52.037 -0.067 0.000 0.840 488 A CB 0.610 19.543 19.000 -0.111 0.000 1.179 488 A HN 0.808 nan 8.150 nan 0.000 0.504 489 R N 1.404 121.850 120.500 -0.090 0.000 2.716 489 R HA 0.698 5.077 4.340 0.066 0.000 0.271 489 R C -1.882 174.297 176.300 -0.201 0.000 1.028 489 R CA -0.953 55.045 56.100 -0.170 0.000 0.883 489 R CB 0.915 31.067 30.300 -0.247 0.000 1.250 489 R HN 0.408 nan 8.270 nan 0.000 0.465 490 L N 1.483 122.496 121.223 -0.351 0.000 2.295 490 L HA 0.675 5.055 4.340 0.066 0.000 0.285 490 L C -0.729 175.901 176.870 -0.400 0.000 1.035 490 L CA -1.301 53.223 54.840 -0.527 0.000 0.806 490 L CB 1.899 43.252 42.059 -1.175 0.000 1.214 490 L HN 0.345 nan 8.230 nan 0.000 0.426 491 V N 3.222 123.016 119.914 -0.201 0.000 2.525 491 V HA 0.313 4.472 4.120 0.066 0.000 0.299 491 V C 0.058 176.070 176.094 -0.137 0.000 1.034 491 V CA -1.135 61.081 62.300 -0.140 0.000 0.863 491 V CB 1.732 33.429 31.823 -0.211 0.000 0.999 491 V HN 0.600 nan 8.190 nan 0.000 0.423 492 K N 5.143 125.371 120.400 -0.287 0.000 2.469 492 K HA 0.125 4.484 4.320 0.066 0.000 0.274 492 K C -1.548 174.563 176.600 -0.815 0.000 0.983 492 K CA -1.412 54.360 56.287 -0.859 0.000 0.974 492 K CB 0.836 32.280 32.500 -1.760 0.000 0.913 492 K HN 0.293 nan 8.250 nan 0.000 0.493 493 P HA -0.137 nan 4.420 nan 0.000 0.219 493 P C 0.766 177.928 177.300 -0.230 0.000 1.146 493 P CA 1.350 64.235 63.100 -0.358 0.000 0.808 493 P CB -0.101 31.497 31.700 -0.170 0.000 0.779 494 W N -1.601 119.583 121.300 -0.193 0.000 3.180 494 W HA 0.296 4.996 4.660 0.067 0.000 0.254 494 W C -0.380 176.032 176.519 -0.178 0.000 1.318 494 W CA -0.205 57.020 57.345 -0.200 0.000 1.608 494 W CB -1.293 27.897 29.460 -0.450 0.000 1.124 494 W HN -0.380 nan 8.180 nan 0.000 0.694 495 V N 3.052 122.818 119.914 -0.247 0.000 2.389 495 V HA 0.603 4.762 4.120 0.066 0.000 0.264 495 V C 0.882 176.809 176.094 -0.278 0.000 1.049 495 V CA -0.262 61.912 62.300 -0.209 0.000 0.932 495 V CB 0.029 31.708 31.823 -0.241 0.000 1.011 495 V HN 0.200 nan 8.190 nan 0.000 0.475 496 G N 2.577 111.046 108.800 -0.552 0.000 2.461 496 G HA2 0.579 4.578 3.960 0.066 0.000 0.329 496 G HA3 0.579 4.578 3.960 0.066 0.000 0.329 496 G C 0.797 175.240 174.900 -0.761 0.000 1.170 496 G CA 0.053 44.632 45.100 -0.868 0.000 0.935 496 G HN 1.418 nan 8.290 nan 0.000 0.492 497 G N -1.332 107.289 108.800 -0.299 0.000 2.213 497 G HA2 -0.257 3.742 3.960 0.066 0.000 0.236 497 G HA3 -0.257 3.742 3.960 0.066 0.000 0.236 497 G C 0.185 175.131 174.900 0.076 0.000 0.991 497 G CA 0.608 45.715 45.100 0.011 0.000 0.629 497 G HN 1.208 nan 8.290 nan 0.000 0.517 498 Y N 3.060 123.308 120.300 -0.087 0.000 2.535 498 Y HA 0.485 5.094 4.550 0.099 0.000 0.349 498 Y C 1.753 177.624 175.900 -0.048 0.000 0.992 498 Y CA 0.530 58.592 58.100 -0.064 0.000 1.248 498 Y CB 0.994 39.395 38.460 -0.098 0.000 1.124 498 Y HN 0.265 nan 8.280 nan 0.000 0.520 499 T N 0.795 115.114 114.554 -0.390 0.000 2.937 499 T HA 0.146 4.536 4.350 0.066 0.000 0.260 499 T C 1.651 176.038 174.700 -0.521 0.000 1.051 499 T CA 0.822 62.724 62.100 -0.331 0.000 1.141 499 T CB -0.532 68.235 68.868 -0.169 0.000 0.879 499 T HN 1.264 nan 8.240 nan 0.000 0.459 500 G N 1.406 109.700 108.800 -0.844 0.000 2.162 500 G HA2 -0.255 3.745 3.960 0.066 0.000 0.260 500 G HA3 -0.255 3.745 3.960 0.066 0.000 0.260 500 G C 0.948 175.669 174.900 -0.299 0.000 0.976 500 G CA 0.483 45.189 45.100 -0.657 0.000 0.655 500 G HN 0.506 nan 8.290 nan 0.000 0.533 501 K N 0.183 120.443 120.400 -0.233 0.000 2.365 501 K HA 0.024 4.383 4.320 0.066 0.000 0.197 501 K C 0.638 177.174 176.600 -0.105 0.000 1.042 501 K CA 0.458 56.665 56.287 -0.132 0.000 0.987 501 K CB 0.092 32.531 32.500 -0.103 0.000 0.779 501 K HN 0.475 nan 8.250 nan 0.000 0.484 502 D N 2.039 122.370 120.400 -0.114 0.000 2.336 502 D HA 0.041 4.720 4.640 0.066 0.000 0.249 502 D C -1.672 174.626 176.300 -0.004 0.000 1.213 502 D CA -2.263 51.702 54.000 -0.058 0.000 0.870 502 D CB 1.388 42.168 40.800 -0.034 0.000 1.076 502 D HN -0.082 nan 8.370 nan 0.000 0.483 503 P HA -0.050 nan 4.420 nan 0.000 0.230 503 P C 1.108 178.535 177.300 0.211 0.000 1.158 503 P CA 0.595 63.778 63.100 0.137 0.000 0.769 503 P CB 0.340 32.124 31.700 0.141 0.000 0.807 504 L N -1.285 120.021 121.223 0.138 0.000 2.554 504 L HA 0.180 4.559 4.340 0.066 0.000 0.225 504 L C 0.496 177.461 176.870 0.158 0.000 1.104 504 L CA 0.098 55.020 54.840 0.138 0.000 0.866 504 L CB -0.943 41.159 42.059 0.073 0.000 1.047 504 L HN -0.028 nan 8.230 nan 0.000 0.468 505 D N 1.601 122.058 120.400 0.097 0.000 2.689 505 D HA -0.203 4.476 4.640 0.066 0.000 0.237 505 D C -0.023 176.291 176.300 0.024 0.000 1.148 505 D CA 0.306 54.325 54.000 0.032 0.000 0.656 505 D CB -0.841 39.917 40.800 -0.070 0.000 1.050 505 D HN 0.143 nan 8.370 nan 0.000 0.426 506 N N 1.108 119.822 118.700 0.023 0.000 3.124 506 N HA 0.184 4.964 4.740 0.066 0.000 0.284 506 N C 0.215 175.667 175.510 -0.096 0.000 1.209 506 N CA -0.063 52.956 53.050 -0.052 0.000 1.149 506 N CB 0.007 38.514 38.487 0.034 0.000 1.434 506 N HN 0.497 nan 8.380 nan 0.000 0.529 507 I N 1.374 121.885 120.570 -0.098 0.000 2.634 507 I HA 0.039 4.249 4.170 0.066 0.000 0.284 507 I C -0.281 175.704 176.117 -0.220 0.000 1.124 507 I CA -0.056 61.233 61.300 -0.018 0.000 1.417 507 I CB 0.284 38.310 38.000 0.044 0.000 1.396 507 I HN 0.164 nan 8.210 nan 0.000 0.571 508 Y N 4.101 124.451 120.300 0.084 0.000 2.331 508 Y HA 0.234 4.818 4.550 0.057 0.000 0.334 508 Y C 0.776 176.732 175.900 0.093 0.000 0.960 508 Y CA -0.737 57.412 58.100 0.083 0.000 1.130 508 Y CB 1.556 40.068 38.460 0.086 0.000 1.164 508 Y HN 0.257 nan 8.280 nan 0.000 0.458 509 V N 3.098 123.123 119.914 0.186 0.000 2.720 509 V HA -0.287 3.872 4.120 0.066 0.000 0.256 509 V C 2.110 178.365 176.094 0.269 0.000 1.082 509 V CA 2.119 64.487 62.300 0.113 0.000 1.101 509 V CB -0.510 31.218 31.823 -0.158 0.000 0.693 509 V HN 0.806 nan 8.190 nan 0.000 0.479 510 K N 0.368 120.998 120.400 0.383 0.000 2.360 510 K HA -0.170 4.190 4.320 0.066 0.000 0.201 510 K C 1.310 178.028 176.600 0.197 0.000 1.046 510 K CA 1.718 58.166 56.287 0.267 0.000 0.945 510 K CB -0.297 32.273 32.500 0.118 0.000 0.750 510 K HN 0.410 nan 8.250 nan 0.000 0.464 511 N N 0.644 119.473 118.700 0.214 0.000 2.353 511 N HA 0.143 4.923 4.740 0.066 0.000 0.185 511 N C 0.238 175.884 175.510 0.227 0.000 1.098 511 N CA 0.270 53.441 53.050 0.202 0.000 0.872 511 N CB 0.186 38.794 38.487 0.203 0.000 0.970 511 N HN 0.186 nan 8.380 nan 0.000 0.467 512 L N 0.318 121.658 121.223 0.195 0.000 2.400 512 L HA 0.444 4.823 4.340 0.066 0.000 0.264 512 L C -0.618 176.383 176.870 0.218 0.000 1.061 512 L CA -1.127 53.782 54.840 0.117 0.000 0.799 512 L CB 0.797 42.874 42.059 0.029 0.000 1.240 512 L HN 0.095 nan 8.230 nan 0.000 0.461 513 Y N -1.252 119.101 120.300 0.087 0.000 2.592 513 Y HA 0.602 5.179 4.550 0.046 0.000 0.334 513 Y C -1.257 174.707 175.900 0.107 0.000 1.136 513 Y CA -1.454 56.699 58.100 0.089 0.000 1.042 513 Y CB 0.863 39.370 38.460 0.079 0.000 1.325 513 Y HN 0.111 nan 8.280 nan 0.000 0.457 514 I N 4.145 124.873 120.570 0.263 0.000 2.321 514 I HA 0.358 4.567 4.170 0.066 0.000 0.291 514 I C -0.031 176.267 176.117 0.302 0.000 0.998 514 I CA -1.057 60.386 61.300 0.239 0.000 1.227 514 I CB 0.927 39.051 38.000 0.207 0.000 1.368 514 I HN 0.640 nan 8.210 nan 0.000 0.466 515 I N 5.710 126.471 120.570 0.319 0.000 2.519 515 I HA 0.132 4.341 4.170 0.066 0.000 0.287 515 I C 1.029 177.326 176.117 0.300 0.000 1.047 515 I CA -0.652 60.833 61.300 0.308 0.000 1.381 515 I CB 0.520 38.694 38.000 0.289 0.000 1.417 515 I HN 0.398 nan 8.210 nan 0.000 0.540 516 K N 7.011 127.525 120.400 0.190 0.000 2.511 516 K HA -0.009 4.350 4.320 0.066 0.000 0.280 516 K C -0.448 176.237 176.600 0.142 0.000 1.008 516 K CA 0.708 57.053 56.287 0.096 0.000 1.050 516 K CB 0.068 32.590 32.500 0.037 0.000 0.889 516 K HN 0.780 nan 8.250 nan 0.000 0.484 517 H N 0.000 119.009 119.070 -0.102 0.000 2.539 517 H HA 0.000 4.596 4.556 0.067 0.000 0.296 517 H CA 0.000 55.979 56.048 -0.116 0.000 1.023 517 H CB 0.000 29.676 29.762 -0.144 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496