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 1b5i_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 0.000 177.627 177.584 0.072 0.000 1.274 1 A CA 0.000 52.118 52.037 0.135 0.000 0.836 1 A CB 0.000 19.134 19.000 0.223 0.000 0.831 2 D N 1.859 122.308 120.400 0.081 0.000 2.477 2 D HA 0.404 5.082 4.640 0.063 0.000 0.239 2 D C -0.328 175.923 176.300 -0.081 0.000 1.102 2 D CA 0.050 54.057 54.000 0.012 0.000 0.901 2 D CB 1.483 42.310 40.800 0.044 0.000 1.026 2 D HN 0.283 nan 8.370 nan 0.000 0.515 3 V N 3.771 123.542 119.914 -0.238 0.000 2.470 3 V HA 0.134 4.292 4.120 0.063 0.000 0.276 3 V C -1.688 174.251 176.094 -0.258 0.000 1.040 3 V CA -1.163 60.826 62.300 -0.519 0.000 1.008 3 V CB 0.288 31.781 31.823 -0.550 0.000 0.990 3 V HN 0.289 nan 8.190 nan 0.000 0.477 4 P HA 0.185 nan 4.420 nan 0.000 0.266 4 P C -0.042 177.222 177.300 -0.060 0.000 1.195 4 P CA -0.006 63.058 63.100 -0.061 0.000 0.768 4 P CB 0.411 32.117 31.700 0.009 0.000 0.838 5 A N 2.728 125.529 122.820 -0.031 0.000 2.565 5 A HA 0.383 4.741 4.320 0.063 0.000 0.237 5 A C 1.649 179.226 177.584 -0.011 0.000 1.053 5 A CA 0.795 52.818 52.037 -0.022 0.000 0.755 5 A CB -1.176 17.818 19.000 -0.009 0.000 0.980 5 A HN 0.928 nan 8.150 nan 0.000 0.506 6 G N 0.320 109.114 108.800 -0.011 0.000 2.284 6 G HA2 -0.134 3.864 3.960 0.063 0.000 0.247 6 G HA3 -0.134 3.864 3.960 0.063 0.000 0.247 6 G C 0.784 175.690 174.900 0.010 0.000 1.012 6 G CA 0.706 45.807 45.100 0.003 0.000 0.618 6 G HN 2.420 nan 8.290 nan 0.000 0.521 7 V N 0.317 120.232 119.914 0.002 0.000 2.637 7 V HA 0.622 4.780 4.120 0.063 0.000 0.296 7 V C 0.252 176.358 176.094 0.019 0.000 1.046 7 V CA -0.123 62.195 62.300 0.029 0.000 1.066 7 V CB 1.282 33.140 31.823 0.058 0.000 0.968 7 V HN 0.423 nan 8.190 nan 0.000 0.483 8 Q N 5.039 124.867 119.800 0.048 0.000 2.274 8 Q HA 0.527 4.905 4.340 0.063 0.000 0.256 8 Q C -0.738 175.300 176.000 0.063 0.000 0.927 8 Q CA -0.398 55.427 55.803 0.038 0.000 0.939 8 Q CB 1.905 30.664 28.738 0.034 0.000 1.201 8 Q HN 0.782 nan 8.270 nan 0.000 0.426 9 L N 1.669 122.919 121.223 0.044 0.000 2.375 9 L HA 0.462 4.840 4.340 0.063 0.000 0.271 9 L C 0.406 177.306 176.870 0.050 0.000 1.107 9 L CA -0.680 54.204 54.840 0.075 0.000 0.806 9 L CB 0.914 43.005 42.059 0.053 0.000 1.146 9 L HN 0.645 nan 8.230 nan 0.000 0.447 10 A N 1.302 124.161 122.820 0.064 0.000 2.425 10 A HA 0.044 4.402 4.320 0.063 0.000 0.242 10 A C 0.657 178.233 177.584 -0.013 0.000 1.077 10 A CA -0.318 51.716 52.037 -0.006 0.000 0.781 10 A CB 0.166 19.156 19.000 -0.016 0.000 1.020 10 A HN 0.846 nan 8.150 nan 0.000 0.494 11 D N 0.155 120.526 120.400 -0.048 0.000 2.117 11 D HA -0.054 4.624 4.640 0.063 0.000 0.197 11 D C 0.684 176.969 176.300 -0.025 0.000 0.987 11 D CA 1.502 55.480 54.000 -0.035 0.000 0.829 11 D CB 0.092 40.861 40.800 -0.051 0.000 0.961 11 D HN 0.581 nan 8.370 nan 0.000 0.460 12 K N 1.312 121.687 120.400 -0.041 0.000 2.253 12 K HA 0.105 4.463 4.320 0.063 0.000 0.277 12 K C -0.514 176.088 176.600 0.005 0.000 1.053 12 K CA -0.290 55.982 56.287 -0.025 0.000 0.892 12 K CB 0.604 33.075 32.500 -0.047 0.000 1.102 12 K HN -0.191 nan 8.250 nan 0.000 0.469 13 Q N 3.488 123.306 119.800 0.029 0.000 2.771 13 Q HA 0.121 4.500 4.340 0.063 0.000 0.239 13 Q C -0.660 175.372 176.000 0.055 0.000 1.231 13 Q CA -0.167 55.673 55.803 0.060 0.000 1.056 13 Q CB 1.123 29.908 28.738 0.078 0.000 1.284 13 Q HN 0.741 nan 8.270 nan 0.000 0.558 14 T N -1.499 113.078 114.554 0.039 0.000 2.916 14 T HA 0.781 5.169 4.350 0.063 0.000 0.292 14 T C -0.664 174.043 174.700 0.012 0.000 1.055 14 T CA -0.888 61.221 62.100 0.015 0.000 1.009 14 T CB 1.934 70.801 68.868 -0.001 0.000 1.118 14 T HN 0.235 nan 8.240 nan 0.000 0.497 15 L N 1.432 122.629 121.223 -0.043 0.000 2.422 15 L HA 0.813 5.191 4.340 0.063 0.000 0.264 15 L C -1.586 175.200 176.870 -0.139 0.000 0.984 15 L CA -0.721 54.075 54.840 -0.073 0.000 0.819 15 L CB 2.405 44.392 42.059 -0.120 0.000 1.330 15 L HN 0.721 nan 8.230 nan 0.000 0.410 16 V N 4.749 124.589 119.914 -0.122 0.000 2.483 16 V HA 0.625 4.783 4.120 0.063 0.000 0.297 16 V C -0.369 175.613 176.094 -0.185 0.000 1.027 16 V CA -0.567 61.640 62.300 -0.155 0.000 0.855 16 V CB 1.701 33.478 31.823 -0.076 0.000 0.995 16 V HN 0.705 nan 8.190 nan 0.000 0.424 17 R N 2.837 123.158 120.500 -0.299 0.000 2.562 17 R HA 0.462 4.840 4.340 0.063 0.000 0.298 17 R C -0.604 175.621 176.300 -0.125 0.000 0.961 17 R CA -0.862 55.090 56.100 -0.246 0.000 0.881 17 R CB 1.939 31.980 30.300 -0.432 0.000 1.159 17 R HN 0.689 nan 8.270 nan 0.000 0.450 18 N N 0.719 119.404 118.700 -0.025 0.000 2.530 18 N HA 0.024 4.802 4.740 0.063 0.000 0.277 18 N C -0.104 175.453 175.510 0.080 0.000 1.168 18 N CA 0.021 53.080 53.050 0.014 0.000 0.979 18 N CB 0.833 39.336 38.487 0.027 0.000 1.141 18 N HN 0.485 nan 8.380 nan 0.000 0.459 19 N N 1.073 119.759 118.700 -0.023 0.000 2.241 19 N HA 0.231 5.009 4.740 0.063 0.000 0.238 19 N C 0.678 175.779 175.510 -0.682 0.000 1.244 19 N CA 0.534 53.523 53.050 -0.103 0.000 0.880 19 N CB 0.142 38.646 38.487 0.029 0.000 1.179 19 N HN 0.754 nan 8.380 nan 0.000 0.513 20 G N -0.168 108.113 108.800 -0.866 0.000 2.507 20 G HA2 -0.314 3.684 3.960 0.063 0.000 0.240 20 G HA3 -0.314 3.684 3.960 0.063 0.000 0.240 20 G C 0.123 174.651 174.900 -0.621 0.000 1.119 20 G CA 0.836 45.261 45.100 -1.124 0.000 0.664 20 G HN 1.081 nan 8.290 nan 0.000 0.516 21 S N -1.316 114.093 115.700 -0.484 0.000 2.643 21 S HA 0.538 5.046 4.470 0.063 0.000 0.266 21 S C -1.028 173.499 174.600 -0.122 0.000 1.130 21 S CA 0.098 58.142 58.200 -0.259 0.000 0.817 21 S CB 1.956 64.991 63.200 -0.274 0.000 1.107 21 S HN 1.034 nan 8.310 nan 0.000 0.471 22 E N 1.443 121.656 120.200 0.022 0.000 2.376 22 E HA 0.408 4.796 4.350 0.063 0.000 0.266 22 E C 0.310 177.013 176.600 0.172 0.000 1.009 22 E CA -0.423 56.043 56.400 0.110 0.000 0.902 22 E CB 0.701 30.490 29.700 0.148 0.000 0.972 22 E HN 0.893 nan 8.360 nan 0.000 0.439 23 V N 2.564 122.561 119.914 0.139 0.000 2.963 23 V HA 0.016 4.174 4.120 0.063 0.000 0.306 23 V C 1.125 177.356 176.094 0.230 0.000 1.077 23 V CA -0.066 62.324 62.300 0.150 0.000 1.124 23 V CB 0.972 32.774 31.823 -0.034 0.000 0.987 23 V HN 0.850 nan 8.190 nan 0.000 0.487 24 Q N 1.375 121.305 119.800 0.217 0.000 2.124 24 Q HA 0.055 4.433 4.340 0.063 0.000 0.202 24 Q C 1.052 177.145 176.000 0.156 0.000 0.977 24 Q CA 1.740 57.634 55.803 0.152 0.000 0.850 24 Q CB 0.167 28.960 28.738 0.091 0.000 0.901 24 Q HN 0.977 nan 8.270 nan 0.000 0.429 25 S N -2.463 113.312 115.700 0.125 0.000 2.627 25 S HA 0.285 4.793 4.470 0.063 0.000 0.268 25 S C -0.959 173.613 174.600 -0.047 0.000 1.130 25 S CA -0.773 57.499 58.200 0.121 0.000 0.819 25 S CB 0.238 63.481 63.200 0.073 0.000 1.100 25 S HN 0.170 nan 8.310 nan 0.000 0.465 26 L N 1.342 122.488 121.223 -0.129 0.000 2.693 26 L HA 0.380 4.758 4.340 0.063 0.000 0.235 26 L C 0.144 176.917 176.870 -0.160 0.000 1.127 26 L CA -0.050 54.653 54.840 -0.228 0.000 0.914 26 L CB 0.206 42.036 42.059 -0.382 0.000 1.193 26 L HN 0.563 nan 8.230 nan 0.000 0.502 27 D N 1.534 121.846 120.400 -0.147 0.000 2.325 27 D HA 0.118 4.796 4.640 0.063 0.000 0.251 27 D C -1.659 174.601 176.300 -0.067 0.000 1.196 27 D CA -1.998 51.969 54.000 -0.054 0.000 0.866 27 D CB 1.891 42.763 40.800 0.119 0.000 1.101 27 D HN -0.118 nan 8.370 nan 0.000 0.476 28 P HA -0.126 nan 4.420 nan 0.000 0.218 28 P C 0.379 177.629 177.300 -0.082 0.000 1.146 28 P CA 1.320 64.273 63.100 -0.246 0.000 0.813 28 P CB 0.026 31.463 31.700 -0.438 0.000 0.778 29 H N -1.553 117.511 119.070 -0.010 0.000 2.539 29 H HA 0.176 4.770 4.556 0.063 0.000 0.269 29 H C 0.938 176.289 175.328 0.038 0.000 0.980 29 H CA 0.030 56.085 56.048 0.011 0.000 1.152 29 H CB 0.284 30.053 29.762 0.011 0.000 1.407 29 H HN -0.018 nan 8.280 nan 0.000 0.564 30 K N 1.169 121.652 120.400 0.138 0.000 2.478 30 K HA 0.218 4.576 4.320 0.063 0.000 0.205 30 K C 0.003 176.650 176.600 0.079 0.000 1.033 30 K CA 0.034 56.381 56.287 0.100 0.000 1.091 30 K CB 0.829 33.385 32.500 0.094 0.000 0.844 30 K HN 0.385 nan 8.250 nan 0.000 0.507 31 I N -1.901 118.721 120.570 0.088 0.000 2.846 31 I HA 0.362 4.570 4.170 0.063 0.000 0.307 31 I C 0.433 176.664 176.117 0.190 0.000 1.053 31 I CA -0.673 60.679 61.300 0.087 0.000 1.050 31 I CB 2.025 40.033 38.000 0.013 0.000 1.239 31 I HN -0.002 nan 8.210 nan 0.000 0.439 32 E N 2.457 122.787 120.200 0.217 0.000 2.703 32 E HA 0.320 4.709 4.350 0.063 0.000 0.214 32 E C 0.146 176.933 176.600 0.311 0.000 0.944 32 E CA -0.392 56.258 56.400 0.416 0.000 1.299 32 E CB 0.881 30.820 29.700 0.398 0.000 1.189 32 E HN 0.853 nan 8.360 nan 0.000 0.597 33 G N 0.483 109.435 108.800 0.253 0.000 2.644 33 G HA2 0.401 4.399 3.960 0.063 0.000 0.307 33 G HA3 0.401 4.399 3.960 0.063 0.000 0.307 33 G C 0.754 175.767 174.900 0.188 0.000 1.250 33 G CA -0.504 44.815 45.100 0.365 0.000 0.996 33 G HN -0.048 nan 8.290 nan 0.000 0.489 34 V N 1.156 121.171 119.914 0.167 0.000 2.295 34 V HA -0.082 4.076 4.120 0.063 0.000 0.246 34 V C -0.141 175.965 176.094 0.020 0.000 1.049 34 V CA 2.148 64.477 62.300 0.048 0.000 1.024 34 V CB -0.865 30.999 31.823 0.067 0.000 0.648 34 V HN 0.525 nan 8.190 nan 0.000 0.447 35 P HA -0.127 nan 4.420 nan 0.000 0.216 35 P C 1.433 178.660 177.300 -0.123 0.000 1.150 35 P CA 1.261 64.286 63.100 -0.125 0.000 0.837 35 P CB 0.040 31.552 31.700 -0.313 0.000 0.786 36 E N -0.851 119.340 120.200 -0.015 0.000 2.072 36 E HA -0.089 4.299 4.350 0.063 0.000 0.191 36 E C 2.115 178.619 176.600 -0.160 0.000 0.985 36 E CA 1.341 57.700 56.400 -0.068 0.000 0.801 36 E CB -1.018 28.697 29.700 0.024 0.000 0.750 36 E HN 0.131 nan 8.360 nan 0.000 0.452 37 S N 0.790 116.398 115.700 -0.154 0.000 2.428 37 S HA -0.060 4.448 4.470 0.063 0.000 0.230 37 S C 1.534 175.987 174.600 -0.246 0.000 1.014 37 S CA 0.563 58.627 58.200 -0.225 0.000 0.957 37 S CB -0.211 62.840 63.200 -0.248 0.000 0.784 37 S HN 0.237 nan 8.310 nan 0.000 0.499 38 N N 1.541 120.101 118.700 -0.235 0.000 2.120 38 N HA -0.062 4.716 4.740 0.063 0.000 0.188 38 N C 1.702 176.930 175.510 -0.471 0.000 1.024 38 N CA 1.058 53.943 53.050 -0.274 0.000 0.852 38 N CB -0.616 37.757 38.487 -0.189 0.000 1.003 38 N HN 0.231 nan 8.380 nan 0.000 0.424 39 V N 0.129 119.675 119.914 -0.613 0.000 2.379 39 V HA -0.102 4.056 4.120 0.063 0.000 0.245 39 V C 2.438 178.324 176.094 -0.348 0.000 1.044 39 V CA 1.394 63.281 62.300 -0.688 0.000 1.036 39 V CB -0.726 30.689 31.823 -0.679 0.000 0.664 39 V HN 0.278 nan 8.190 nan 0.000 0.453 40 S N -0.318 115.243 115.700 -0.232 0.000 2.383 40 S HA -0.235 4.273 4.470 0.063 0.000 0.229 40 S C 2.165 176.740 174.600 -0.042 0.000 1.030 40 S CA 1.660 59.825 58.200 -0.057 0.000 1.002 40 S CB -0.273 62.878 63.200 -0.081 0.000 0.829 40 S HN 0.538 nan 8.310 nan 0.000 0.467 41 R N 0.398 120.807 120.500 -0.151 0.000 2.152 41 R HA -0.036 4.342 4.340 0.063 0.000 0.232 41 R C 1.471 177.759 176.300 -0.020 0.000 1.117 41 R CA 1.397 57.411 56.100 -0.142 0.000 0.981 41 R CB -0.257 29.739 30.300 -0.507 0.000 0.870 41 R HN 0.400 nan 8.270 nan 0.000 0.451 42 D N 0.157 120.524 120.400 -0.056 0.000 2.249 42 D HA -0.017 4.661 4.640 0.063 0.000 0.205 42 D C 1.791 178.091 176.300 -0.000 0.000 0.962 42 D CA 0.826 54.860 54.000 0.056 0.000 0.860 42 D CB 0.265 41.065 40.800 -0.000 0.000 0.955 42 D HN 0.199 nan 8.370 nan 0.000 0.505 43 L N -1.278 119.864 121.223 -0.135 0.000 2.286 43 L HA 0.142 4.520 4.340 0.063 0.000 0.203 43 L C 0.060 176.600 176.870 -0.549 0.000 1.068 43 L CA 0.432 55.042 54.840 -0.383 0.000 0.811 43 L CB 0.186 41.886 42.059 -0.598 0.000 0.989 43 L HN -0.160 nan 8.230 nan 0.000 0.467 44 F N -0.092 119.878 119.950 0.033 0.000 2.507 44 F HA 0.404 4.968 4.527 0.062 0.000 0.325 44 F C 0.039 175.874 175.800 0.059 0.000 1.116 44 F CA -0.851 57.181 58.000 0.052 0.000 0.930 44 F CB 1.585 40.628 39.000 0.073 0.000 1.146 44 F HN -0.176 nan 8.300 nan 0.000 0.447 45 E N 1.911 122.249 120.200 0.229 0.000 2.176 45 E HA 0.610 4.998 4.350 0.063 0.000 0.267 45 E C -0.088 176.680 176.600 0.280 0.000 0.893 45 E CA -0.555 55.993 56.400 0.247 0.000 0.761 45 E CB 1.480 31.348 29.700 0.279 0.000 1.133 45 E HN 0.813 nan 8.360 nan 0.000 0.409 46 G N 2.953 111.931 108.800 0.298 0.000 2.509 46 G HA2 0.134 4.132 3.960 0.063 0.000 0.269 46 G HA3 0.134 4.132 3.960 0.063 0.000 0.269 46 G C 0.862 175.909 174.900 0.244 0.000 1.416 46 G CA -0.490 44.844 45.100 0.391 0.000 1.052 46 G HN 0.599 nan 8.290 nan 0.000 0.542 47 L N -1.321 119.901 121.223 -0.002 0.000 2.017 47 L HA 0.043 4.421 4.340 0.063 0.000 0.208 47 L C 0.571 177.350 176.870 -0.152 0.000 1.073 47 L CA 0.789 55.431 54.840 -0.330 0.000 0.745 47 L CB -0.471 41.152 42.059 -0.726 0.000 0.894 47 L HN 0.110 nan 8.230 nan 0.000 0.432 48 L N -1.382 119.778 121.223 -0.105 0.000 2.301 48 L HA 0.561 4.939 4.340 0.063 0.000 0.264 48 L C -0.309 176.624 176.870 0.104 0.000 1.016 48 L CA -0.520 54.307 54.840 -0.022 0.000 0.821 48 L CB 1.983 43.974 42.059 -0.115 0.000 1.346 48 L HN -0.041 nan 8.230 nan 0.000 0.429 49 I N -3.317 117.340 120.570 0.144 0.000 3.074 49 I HA 0.665 4.873 4.170 0.063 0.000 0.310 49 I C -0.533 175.681 176.117 0.162 0.000 1.153 49 I CA -0.729 60.659 61.300 0.147 0.000 0.993 49 I CB 2.252 40.206 38.000 -0.076 0.000 1.237 49 I HN 0.329 nan 8.210 nan 0.000 0.443 50 S N 2.024 117.877 115.700 0.255 0.000 2.565 50 S HA 0.211 4.719 4.470 0.063 0.000 0.274 50 S C -0.433 174.257 174.600 0.150 0.000 1.309 50 S CA -0.578 57.773 58.200 0.252 0.000 1.043 50 S CB 0.673 64.076 63.200 0.337 0.000 0.939 50 S HN 0.799 nan 8.310 nan 0.000 0.504 51 D N 0.828 121.324 120.400 0.159 0.000 2.398 51 D HA 0.034 4.712 4.640 0.063 0.000 0.264 51 D C 1.653 178.022 176.300 0.116 0.000 1.263 51 D CA -0.572 53.504 54.000 0.126 0.000 1.037 51 D CB -0.321 40.595 40.800 0.192 0.000 1.101 51 D HN 0.280 nan 8.370 nan 0.000 0.551 52 V N -3.030 116.947 119.914 0.104 0.000 2.867 52 V HA -0.096 4.062 4.120 0.063 0.000 0.260 52 V C 1.268 177.367 176.094 0.008 0.000 1.099 52 V CA 1.491 63.841 62.300 0.084 0.000 1.122 52 V CB -1.130 30.742 31.823 0.083 0.000 0.708 52 V HN 0.533 nan 8.190 nan 0.000 0.490 53 E N 0.432 120.604 120.200 -0.046 0.000 2.498 53 E HA 0.397 4.786 4.350 0.063 0.000 0.203 53 E C 1.603 178.028 176.600 -0.292 0.000 1.013 53 E CA 0.443 56.735 56.400 -0.180 0.000 0.927 53 E CB 0.697 30.285 29.700 -0.188 0.000 1.012 53 E HN 0.765 nan 8.360 nan 0.000 0.482 54 G N 1.834 110.544 108.800 -0.149 0.000 2.175 54 G HA2 -0.212 3.786 3.960 0.063 0.000 0.244 54 G HA3 -0.212 3.786 3.960 0.063 0.000 0.244 54 G C 0.070 174.955 174.900 -0.026 0.000 0.982 54 G CA -0.266 44.794 45.100 -0.067 0.000 0.641 54 G HN 0.334 nan 8.290 nan 0.000 0.527 55 H N 1.341 120.504 119.070 0.154 0.000 2.764 55 H HA 0.326 4.903 4.556 0.035 0.000 0.341 55 H C -2.301 173.161 175.328 0.223 0.000 1.072 55 H CA -1.442 54.718 56.048 0.187 0.000 1.444 55 H CB 0.490 30.361 29.762 0.180 0.000 1.458 55 H HN 0.128 nan 8.280 nan 0.000 0.572 56 P HA -0.018 nan 4.420 nan 0.000 0.264 56 P C -0.381 177.170 177.300 0.419 0.000 1.193 56 P CA 0.409 63.729 63.100 0.368 0.000 0.763 56 P CB 0.669 32.633 31.700 0.441 0.000 0.810 57 S N 2.795 118.713 115.700 0.363 0.000 2.671 57 S HA 0.679 5.187 4.470 0.063 0.000 0.277 57 S C -3.149 171.704 174.600 0.422 0.000 1.165 57 S CA -2.298 56.148 58.200 0.411 0.000 0.822 57 S CB 0.831 64.208 63.200 0.296 0.000 1.150 57 S HN 0.044 nan 8.310 nan 0.000 0.479 58 P HA 0.271 nan 4.420 nan 0.000 0.262 58 P C 0.303 177.790 177.300 0.311 0.000 1.182 58 P CA 0.470 63.840 63.100 0.451 0.000 0.761 58 P CB 0.322 32.218 31.700 0.327 0.000 0.795 59 G N 1.547 110.489 108.800 0.236 0.000 3.110 59 G HA2 0.111 4.110 3.960 0.063 0.000 0.207 59 G HA3 0.111 4.110 3.960 0.063 0.000 0.207 59 G C 1.010 176.010 174.900 0.166 0.000 1.841 59 G CA -0.253 45.006 45.100 0.265 0.000 0.751 59 G HN 0.263 nan 8.290 nan 0.000 0.771 60 V N 1.900 121.885 119.914 0.119 0.000 2.515 60 V HA 0.170 4.328 4.120 0.063 0.000 0.250 60 V C 1.826 177.865 176.094 -0.091 0.000 1.058 60 V CA 1.327 63.620 62.300 -0.011 0.000 1.064 60 V CB -0.750 31.140 31.823 0.112 0.000 0.675 60 V HN 0.599 nan 8.190 nan 0.000 0.461 61 A N 0.959 123.769 122.820 -0.016 0.000 2.354 61 A HA 0.279 4.637 4.320 0.063 0.000 0.281 61 A C 1.254 178.986 177.584 0.247 0.000 1.174 61 A CA -0.156 51.969 52.037 0.146 0.000 0.828 61 A CB 0.098 19.266 19.000 0.280 0.000 1.099 61 A HN 0.641 nan 8.150 nan 0.000 0.516 62 E N 2.801 123.088 120.200 0.144 0.000 2.318 62 E HA 0.036 4.424 4.350 0.063 0.000 0.193 62 E C 0.463 177.138 176.600 0.125 0.000 0.998 62 E CA 0.691 57.133 56.400 0.070 0.000 0.859 62 E CB -0.012 29.637 29.700 -0.085 0.000 0.812 62 E HN 0.675 nan 8.360 nan 0.000 0.492 63 K N -0.165 120.383 120.400 0.247 0.000 2.575 63 K HA 0.401 4.759 4.320 0.063 0.000 0.279 63 K C -2.084 174.740 176.600 0.373 0.000 0.969 63 K CA -0.949 55.360 56.287 0.037 0.000 0.868 63 K CB 1.454 33.900 32.500 -0.090 0.000 1.457 63 K HN 0.150 nan 8.250 nan 0.000 0.426 64 W N 0.216 121.600 121.300 0.140 0.000 3.146 64 W HA 0.650 5.343 4.660 0.056 0.000 0.319 64 W C -1.600 174.883 176.519 -0.060 0.000 1.258 64 W CA -0.585 56.753 57.345 -0.013 0.000 1.189 64 W CB 0.988 30.372 29.460 -0.127 0.000 1.412 64 W HN 0.652 nan 8.180 nan 0.000 0.567 65 E N 1.159 121.380 120.200 0.034 0.000 2.416 65 E HA 0.508 4.896 4.350 0.063 0.000 0.273 65 E C -1.239 175.195 176.600 -0.277 0.000 0.935 65 E CA -1.163 55.177 56.400 -0.101 0.000 0.784 65 E CB 2.077 31.709 29.700 -0.113 0.000 1.301 65 E HN 0.538 nan 8.360 nan 0.000 0.454 66 N N -0.724 117.688 118.700 -0.480 0.000 2.262 66 N HA 0.594 5.372 4.740 0.063 0.000 0.295 66 N C -1.472 173.667 175.510 -0.618 0.000 1.161 66 N CA -1.091 51.436 53.050 -0.871 0.000 0.767 66 N CB 1.606 39.034 38.487 -1.766 0.000 1.499 66 N HN 0.169 nan 8.380 nan 0.000 0.476 67 K N 0.842 120.897 120.400 -0.575 0.000 2.425 67 K HA 0.328 4.686 4.320 0.063 0.000 0.259 67 K C -1.022 175.321 176.600 -0.429 0.000 0.978 67 K CA -0.280 55.757 56.287 -0.416 0.000 0.883 67 K CB 0.043 32.378 32.500 -0.275 0.000 1.110 67 K HN 0.649 nan 8.250 nan 0.000 0.436 68 D N 4.472 124.571 120.400 -0.503 0.000 2.911 68 D HA -0.243 4.435 4.640 0.063 0.000 0.227 68 D C -0.527 175.572 176.300 -0.334 0.000 1.164 68 D CA 1.287 55.026 54.000 -0.435 0.000 0.782 68 D CB -1.368 39.316 40.800 -0.194 0.000 1.094 68 D HN 0.728 nan 8.370 nan 0.000 0.425 69 F N -2.246 117.583 119.950 -0.202 0.000 3.069 69 F HA -0.329 4.236 4.527 0.063 0.000 0.285 69 F C 1.586 177.452 175.800 0.109 0.000 0.827 69 F CA 1.461 59.430 58.000 -0.052 0.000 1.108 69 F CB -2.149 36.958 39.000 0.179 0.000 1.252 69 F HN 0.227 nan 8.300 nan 0.000 0.483 70 K N -1.148 119.255 120.400 0.004 0.000 2.443 70 K HA 0.395 4.753 4.320 0.063 0.000 0.200 70 K C 0.146 176.763 176.600 0.027 0.000 1.278 70 K CA 0.564 56.892 56.287 0.068 0.000 0.925 70 K CB 1.190 33.693 32.500 0.006 0.000 1.225 70 K HN 0.000 nan 8.250 nan 0.000 0.514 71 V N 1.950 121.769 119.914 -0.158 0.000 2.378 71 V HA 0.262 4.420 4.120 0.063 0.000 0.288 71 V C -1.469 174.474 176.094 -0.252 0.000 1.016 71 V CA -0.705 61.527 62.300 -0.113 0.000 0.840 71 V CB 0.671 32.420 31.823 -0.123 0.000 0.994 71 V HN 0.168 nan 8.190 nan 0.000 0.431 72 W N 2.558 123.798 121.300 -0.101 0.000 2.429 72 W HA 0.622 5.319 4.660 0.062 0.000 0.314 72 W C 0.280 176.601 176.519 -0.330 0.000 1.062 72 W CA -0.430 56.822 57.345 -0.156 0.000 1.211 72 W CB 1.793 31.320 29.460 0.111 0.000 1.305 72 W HN 0.364 nan 8.180 nan 0.000 0.476 73 T N 4.544 118.901 114.554 -0.329 0.000 2.772 73 T HA 0.451 4.839 4.350 0.063 0.000 0.288 73 T C -1.039 173.321 174.700 -0.567 0.000 0.994 73 T CA -0.496 61.390 62.100 -0.357 0.000 0.951 73 T CB 0.112 68.824 68.868 -0.260 0.000 0.933 73 T HN -0.029 nan 8.240 nan 0.000 0.447 74 F N 3.012 122.901 119.950 -0.102 0.000 2.411 74 F HA 0.316 4.879 4.527 0.061 0.000 0.352 74 F C 0.985 176.667 175.800 -0.197 0.000 1.123 74 F CA -1.005 56.976 58.000 -0.031 0.000 1.044 74 F CB 0.925 39.959 39.000 0.056 0.000 1.135 74 F HN 0.496 nan 8.300 nan 0.000 0.461 75 H N 5.552 124.788 119.070 0.277 0.000 2.820 75 H HA 0.288 4.882 4.556 0.062 0.000 0.278 75 H C -0.118 175.288 175.328 0.130 0.000 1.142 75 H CA -0.320 55.824 56.048 0.160 0.000 1.346 75 H CB 0.633 30.447 29.762 0.085 0.000 1.438 75 H HN 0.461 nan 8.280 nan 0.000 0.473 76 L N 4.177 125.507 121.223 0.179 0.000 2.367 76 L HA 0.223 4.601 4.340 0.063 0.000 0.275 76 L C 1.224 178.093 176.870 -0.002 0.000 1.129 76 L CA -0.593 54.296 54.840 0.081 0.000 0.839 76 L CB 0.571 42.692 42.059 0.103 0.000 1.133 76 L HN 0.476 nan 8.230 nan 0.000 0.453 77 R N 2.324 122.741 120.500 -0.139 0.000 2.640 77 R HA 0.021 4.399 4.340 0.063 0.000 0.270 77 R C 0.252 176.409 176.300 -0.238 0.000 1.024 77 R CA -0.259 55.693 56.100 -0.246 0.000 1.085 77 R CB 0.679 30.697 30.300 -0.470 0.000 0.963 77 R HN 0.653 nan 8.270 nan 0.000 0.426 78 E N 1.533 121.557 120.200 -0.294 0.000 2.204 78 E HA -0.177 4.212 4.350 0.063 0.000 0.194 78 E C 0.680 177.186 176.600 -0.155 0.000 0.989 78 E CA 1.320 57.495 56.400 -0.377 0.000 0.824 78 E CB -0.010 29.475 29.700 -0.358 0.000 0.756 78 E HN 0.755 nan 8.360 nan 0.000 0.477 79 N N 0.831 119.465 118.700 -0.109 0.000 2.314 79 N HA 0.042 4.820 4.740 0.063 0.000 0.200 79 N C -0.170 175.358 175.510 0.030 0.000 1.135 79 N CA 0.052 53.093 53.050 -0.014 0.000 0.835 79 N CB 0.066 38.560 38.487 0.013 0.000 0.989 79 N HN -0.089 nan 8.380 nan 0.000 0.478 80 A N 0.665 123.470 122.820 -0.025 0.000 2.488 80 A HA 0.394 4.752 4.320 0.063 0.000 0.249 80 A C 0.063 177.688 177.584 0.067 0.000 1.083 80 A CA -0.002 52.054 52.037 0.032 0.000 0.768 80 A CB 0.233 19.212 19.000 -0.035 0.000 1.017 80 A HN 0.372 nan 8.150 nan 0.000 0.496 81 K N 1.136 121.588 120.400 0.088 0.000 2.482 81 K HA 0.424 4.783 4.320 0.063 0.000 0.257 81 K C -1.287 175.339 176.600 0.044 0.000 0.969 81 K CA -0.529 55.815 56.287 0.094 0.000 0.842 81 K CB 1.584 34.174 32.500 0.151 0.000 1.359 81 K HN 0.763 nan 8.250 nan 0.000 0.441 82 W N 0.345 121.732 121.300 0.145 0.000 2.089 82 W HA 0.049 4.749 4.660 0.067 0.000 0.362 82 W C 1.646 178.230 176.519 0.107 0.000 1.362 82 W CA -0.071 57.352 57.345 0.130 0.000 1.460 82 W CB 0.677 30.204 29.460 0.113 0.000 1.204 82 W HN 0.722 nan 8.180 nan 0.000 0.657 83 S N -0.534 115.392 115.700 0.376 0.000 2.474 83 S HA -0.212 4.296 4.470 0.063 0.000 0.235 83 S C 0.900 175.612 174.600 0.185 0.000 0.997 83 S CA 1.342 59.672 58.200 0.217 0.000 0.949 83 S CB -0.487 62.812 63.200 0.164 0.000 0.766 83 S HN 0.608 nan 8.310 nan 0.000 0.517 84 D N 0.264 120.792 120.400 0.214 0.000 2.328 84 D HA 0.278 4.956 4.640 0.063 0.000 0.221 84 D C 1.374 177.763 176.300 0.149 0.000 1.072 84 D CA 0.466 54.555 54.000 0.148 0.000 0.850 84 D CB -0.574 40.294 40.800 0.113 0.000 0.922 84 D HN 0.494 nan 8.370 nan 0.000 0.516 85 G N 0.247 109.158 108.800 0.184 0.000 2.199 85 G HA2 -0.285 3.713 3.960 0.063 0.000 0.254 85 G HA3 -0.285 3.713 3.960 0.063 0.000 0.254 85 G C 0.533 175.545 174.900 0.185 0.000 0.982 85 G CA 0.532 45.729 45.100 0.162 0.000 0.632 85 G HN 0.809 nan 8.290 nan 0.000 0.529 86 T N -0.135 114.560 114.554 0.235 0.000 2.899 86 T HA 0.597 4.985 4.350 0.063 0.000 0.295 86 T C -2.267 172.645 174.700 0.354 0.000 1.033 86 T CA -1.347 60.901 62.100 0.246 0.000 1.084 86 T CB 2.096 71.080 68.868 0.192 0.000 0.979 86 T HN 0.082 nan 8.240 nan 0.000 0.532 87 P HA 0.258 nan 4.420 nan 0.000 0.271 87 P C -0.645 176.861 177.300 0.343 0.000 1.218 87 P CA -0.550 62.710 63.100 0.267 0.000 0.780 87 P CB 0.445 32.285 31.700 0.233 0.000 0.901 88 V N 3.335 123.350 119.914 0.168 0.000 2.432 88 V HA 0.349 4.507 4.120 0.063 0.000 0.271 88 V C 0.873 177.090 176.094 0.206 0.000 1.046 88 V CA 0.239 62.585 62.300 0.077 0.000 0.945 88 V CB 0.533 32.245 31.823 -0.184 0.000 0.992 88 V HN 0.747 nan 8.190 nan 0.000 0.471 89 T N 1.919 116.624 114.554 0.252 0.000 2.858 89 T HA 0.678 5.067 4.350 0.063 0.000 0.285 89 T C 1.040 175.839 174.700 0.164 0.000 1.052 89 T CA -0.060 62.150 62.100 0.183 0.000 1.009 89 T CB 1.966 70.940 68.868 0.177 0.000 1.241 89 T HN 0.562 nan 8.240 nan 0.000 0.542 90 A N -0.264 122.557 122.820 0.001 0.000 2.067 90 A HA -0.031 4.327 4.320 0.063 0.000 0.219 90 A C 2.064 179.633 177.584 -0.027 0.000 1.158 90 A CA 1.032 53.064 52.037 -0.008 0.000 0.661 90 A CB -1.248 17.744 19.000 -0.012 0.000 0.801 90 A HN 0.932 nan 8.150 nan 0.000 0.452 91 H N 0.394 119.555 119.070 0.152 0.000 2.421 91 H HA -0.098 4.496 4.556 0.064 0.000 0.298 91 H C 1.223 176.633 175.328 0.136 0.000 1.087 91 H CA 1.449 57.579 56.048 0.137 0.000 1.330 91 H CB -0.186 29.629 29.762 0.087 0.000 1.388 91 H HN 0.496 nan 8.280 nan 0.000 0.526 92 D N 0.405 120.929 120.400 0.206 0.000 2.117 92 D HA -0.111 4.567 4.640 0.063 0.000 0.198 92 D C 2.027 178.302 176.300 -0.041 0.000 0.982 92 D CA 0.742 54.821 54.000 0.132 0.000 0.828 92 D CB -0.378 40.531 40.800 0.182 0.000 0.967 92 D HN 0.268 nan 8.370 nan 0.000 0.464 93 F N 0.861 120.685 119.950 -0.211 0.000 2.186 93 F HA -0.139 4.426 4.527 0.062 0.000 0.299 93 F C 2.537 178.122 175.800 -0.359 0.000 1.090 93 F CA 0.399 58.014 58.000 -0.642 0.000 1.307 93 F CB -0.631 37.302 39.000 -1.777 0.000 1.019 93 F HN -0.194 nan 8.300 nan 0.000 0.489 94 V N -0.472 119.526 119.914 0.140 0.000 2.255 94 V HA -0.357 3.801 4.120 0.063 0.000 0.247 94 V C 2.105 178.359 176.094 0.266 0.000 1.051 94 V CA 2.247 64.737 62.300 0.317 0.000 1.018 94 V CB -0.926 31.092 31.823 0.326 0.000 0.641 94 V HN 0.426 nan 8.190 nan 0.000 0.445 95 Y N 1.337 121.716 120.300 0.132 0.000 2.128 95 Y HA -0.262 4.326 4.550 0.063 0.000 0.284 95 Y C 2.719 178.702 175.900 0.139 0.000 1.154 95 Y CA 2.011 60.173 58.100 0.105 0.000 1.149 95 Y CB -0.496 37.994 38.460 0.050 0.000 0.976 95 Y HN 0.218 nan 8.280 nan 0.000 0.505 96 S N -0.424 115.341 115.700 0.109 0.000 2.356 96 S HA -0.201 4.307 4.470 0.063 0.000 0.223 96 S C 1.503 176.266 174.600 0.272 0.000 1.032 96 S CA 1.480 59.767 58.200 0.146 0.000 1.005 96 S CB -0.673 62.664 63.200 0.228 0.000 0.867 96 S HN 0.656 nan 8.310 nan 0.000 0.449 97 W N 2.221 123.552 121.300 0.052 0.000 2.425 97 W HA 0.081 4.778 4.660 0.061 0.000 0.277 97 W C 2.378 178.873 176.519 -0.040 0.000 1.231 97 W CA -0.144 57.236 57.345 0.058 0.000 1.248 97 W CB -1.048 28.554 29.460 0.236 0.000 1.117 97 W HN 0.422 nan 8.180 nan 0.000 0.568 98 Q N -0.143 119.752 119.800 0.158 0.000 2.079 98 Q HA -0.173 4.205 4.340 0.063 0.000 0.200 98 Q C 2.292 178.222 176.000 -0.118 0.000 0.974 98 Q CA 1.577 57.398 55.803 0.031 0.000 0.840 98 Q CB -0.390 28.364 28.738 0.027 0.000 0.898 98 Q HN 0.248 nan 8.270 nan 0.000 0.430 99 R N 0.587 120.921 120.500 -0.276 0.000 2.081 99 R HA -0.167 4.211 4.340 0.063 0.000 0.235 99 R C 2.206 178.263 176.300 -0.405 0.000 1.131 99 R CA 0.957 56.852 56.100 -0.342 0.000 0.960 99 R CB -0.230 29.817 30.300 -0.420 0.000 0.856 99 R HN 0.221 nan 8.270 nan 0.000 0.436 100 L N 0.656 121.502 121.223 -0.629 0.000 2.046 100 L HA -0.058 4.320 4.340 0.063 0.000 0.208 100 L C 2.208 178.921 176.870 -0.261 0.000 1.077 100 L CA 2.217 56.690 54.840 -0.612 0.000 0.747 100 L CB -0.665 41.058 42.059 -0.560 0.000 0.896 100 L HN 0.249 nan 8.230 nan 0.000 0.432 101 A N -1.291 121.435 122.820 -0.157 0.000 1.969 101 A HA -0.153 4.205 4.320 0.063 0.000 0.218 101 A C 1.083 178.623 177.584 -0.073 0.000 1.169 101 A CA 0.871 52.857 52.037 -0.085 0.000 0.635 101 A CB -0.828 18.157 19.000 -0.025 0.000 0.810 101 A HN 0.526 nan 8.150 nan 0.000 0.445 102 D N 0.186 120.537 120.400 -0.082 0.000 2.412 102 D HA 0.086 4.764 4.640 0.063 0.000 0.257 102 D C -1.394 174.876 176.300 -0.050 0.000 1.217 102 D CA -1.807 52.159 54.000 -0.056 0.000 0.897 102 D CB 1.037 41.801 40.800 -0.060 0.000 1.132 102 D HN 0.105 nan 8.370 nan 0.000 0.493 103 P HA -0.139 nan 4.420 nan 0.000 0.219 103 P C 0.772 178.060 177.300 -0.020 0.000 1.146 103 P CA 0.729 63.812 63.100 -0.028 0.000 0.808 103 P CB 0.350 32.039 31.700 -0.019 0.000 0.779 104 N N -0.639 118.053 118.700 -0.014 0.000 2.289 104 N HA -0.076 4.702 4.740 0.063 0.000 0.184 104 N C 1.516 177.026 175.510 0.001 0.000 1.016 104 N CA 1.321 54.370 53.050 -0.003 0.000 0.872 104 N CB -1.121 37.369 38.487 0.004 0.000 0.973 104 N HN 0.199 nan 8.380 nan 0.000 0.433 105 T N 0.464 115.012 114.554 -0.010 0.000 2.995 105 T HA 0.127 4.515 4.350 0.063 0.000 0.269 105 T C 1.001 175.703 174.700 0.004 0.000 1.091 105 T CA 0.749 62.852 62.100 0.005 0.000 1.128 105 T CB -0.246 68.607 68.868 -0.024 0.000 0.891 105 T HN 0.378 nan 8.240 nan 0.000 0.492 106 A N 1.795 124.604 122.820 -0.019 0.000 2.640 106 A HA -0.148 4.210 4.320 0.063 0.000 0.300 106 A C 0.911 178.471 177.584 -0.040 0.000 1.499 106 A CA 0.652 52.669 52.037 -0.033 0.000 0.759 106 A CB -2.176 16.808 19.000 -0.027 0.000 1.048 106 A HN 0.510 nan 8.150 nan 0.000 0.450 107 S N 0.341 116.020 115.700 -0.034 0.000 2.564 107 S HA 0.497 5.005 4.470 0.063 0.000 0.278 107 S C -0.159 174.414 174.600 -0.046 0.000 1.333 107 S CA -0.750 57.447 58.200 -0.006 0.000 1.048 107 S CB 0.669 63.877 63.200 0.012 0.000 0.900 107 S HN 0.416 nan 8.310 nan 0.000 0.505 108 P HA -0.062 nan 4.420 nan 0.000 0.222 108 P C 0.142 177.386 177.300 -0.094 0.000 1.147 108 P CA 1.163 64.188 63.100 -0.127 0.000 0.790 108 P CB -0.063 31.597 31.700 -0.066 0.000 0.780 109 Y N -0.718 119.570 120.300 -0.020 0.000 2.625 109 Y HA 0.420 5.009 4.550 0.065 0.000 0.285 109 Y C 2.250 178.096 175.900 -0.090 0.000 1.168 109 Y CA -0.185 57.900 58.100 -0.025 0.000 1.250 109 Y CB -0.459 37.991 38.460 -0.017 0.000 1.130 109 Y HN -0.065 nan 8.280 nan 0.000 0.526 110 A N -0.672 122.127 122.820 -0.036 0.000 1.940 110 A HA -0.205 4.153 4.320 0.063 0.000 0.219 110 A C 2.300 179.790 177.584 -0.157 0.000 1.176 110 A CA 2.237 54.220 52.037 -0.090 0.000 0.631 110 A CB -0.670 18.275 19.000 -0.092 0.000 0.814 110 A HN 0.335 nan 8.150 nan 0.000 0.446 111 S N -1.858 113.697 115.700 -0.243 0.000 2.547 111 S HA -0.068 4.440 4.470 0.063 0.000 0.235 111 S C 1.468 175.508 174.600 -0.933 0.000 0.980 111 S CA 0.653 58.577 58.200 -0.460 0.000 0.941 111 S CB -0.502 62.466 63.200 -0.386 0.000 0.763 111 S HN 0.638 nan 8.310 nan 0.000 0.532 112 Y N 2.155 122.012 120.300 -0.738 0.000 2.274 112 Y HA -0.040 4.547 4.550 0.062 0.000 0.290 112 Y C 1.634 177.282 175.900 -0.420 0.000 1.145 112 Y CA 1.040 58.782 58.100 -0.597 0.000 1.203 112 Y CB -0.279 38.112 38.460 -0.116 0.000 0.984 112 Y HN 0.223 nan 8.280 nan 0.000 0.533 113 L N -0.635 120.427 121.223 -0.267 0.000 2.395 113 L HA -0.167 4.211 4.340 0.063 0.000 0.218 113 L C 2.156 178.891 176.870 -0.226 0.000 1.130 113 L CA 0.816 55.528 54.840 -0.213 0.000 0.826 113 L CB -0.391 41.590 42.059 -0.129 0.000 0.941 113 L HN 0.251 nan 8.230 nan 0.000 0.451 114 Q N -0.945 118.670 119.800 -0.308 0.000 2.096 114 Q HA -0.150 4.228 4.340 0.063 0.000 0.197 114 Q C 2.097 177.860 176.000 -0.395 0.000 0.964 114 Q CA 1.236 56.863 55.803 -0.292 0.000 0.838 114 Q CB -0.106 28.522 28.738 -0.183 0.000 0.906 114 Q HN 0.418 nan 8.270 nan 0.000 0.444 115 Y N 0.089 120.201 120.300 -0.314 0.000 2.207 115 Y HA -0.084 4.503 4.550 0.063 0.000 0.287 115 Y C 2.387 178.106 175.900 -0.301 0.000 1.156 115 Y CA 1.127 59.059 58.100 -0.281 0.000 1.182 115 Y CB -1.108 37.248 38.460 -0.174 0.000 0.979 115 Y HN 0.143 nan 8.280 nan 0.000 0.521 116 G N -2.039 106.666 108.800 -0.158 0.000 2.985 116 G HA2 -0.071 3.927 3.960 0.063 0.000 0.209 116 G HA3 -0.071 3.927 3.960 0.063 0.000 0.209 116 G C 0.011 174.931 174.900 0.033 0.000 1.165 116 G CA 0.288 45.416 45.100 0.046 0.000 0.776 116 G HN 0.630 nan 8.290 nan 0.000 0.541 117 H N -1.181 117.890 119.070 0.002 0.000 2.770 117 H HA -0.132 4.462 4.556 0.063 0.000 0.309 117 H C 0.067 175.371 175.328 -0.040 0.000 1.206 117 H CA 0.490 56.529 56.048 -0.014 0.000 1.147 117 H CB -1.844 27.909 29.762 -0.016 0.000 1.422 117 H HN 0.267 nan 8.280 nan 0.000 0.420 118 I N 0.809 121.392 120.570 0.021 0.000 2.710 118 I HA 0.114 4.322 4.170 0.063 0.000 0.286 118 I C 1.408 177.558 176.117 0.055 0.000 1.181 118 I CA 0.749 62.077 61.300 0.047 0.000 1.430 118 I CB 0.545 38.624 38.000 0.131 0.000 1.367 118 I HN 0.414 nan 8.210 nan 0.000 0.577 119 A N 5.619 128.469 122.820 0.050 0.000 2.531 119 A HA 0.136 4.494 4.320 0.063 0.000 0.236 119 A C 1.098 178.710 177.584 0.048 0.000 1.062 119 A CA 0.031 52.096 52.037 0.046 0.000 0.760 119 A CB -0.273 18.747 19.000 0.033 0.000 0.995 119 A HN 0.901 nan 8.150 nan 0.000 0.501 120 N N -0.566 118.158 118.700 0.041 0.000 2.863 120 N HA -0.226 4.553 4.740 0.063 0.000 0.245 120 N C 0.583 176.111 175.510 0.030 0.000 1.001 120 N CA 1.208 54.279 53.050 0.035 0.000 0.901 120 N CB -1.406 37.102 38.487 0.035 0.000 1.124 120 N HN 0.780 nan 8.380 nan 0.000 0.582 121 I N 1.684 122.270 120.570 0.027 0.000 2.226 121 I HA -0.185 4.023 4.170 0.063 0.000 0.245 121 I C 1.693 177.810 176.117 -0.001 0.000 1.100 121 I CA 1.829 63.133 61.300 0.007 0.000 1.374 121 I CB -0.142 37.848 38.000 -0.017 0.000 1.057 121 I HN 0.044 nan 8.210 nan 0.000 0.413 122 D N 0.729 121.133 120.400 0.008 0.000 2.116 122 D HA -0.206 4.472 4.640 0.063 0.000 0.193 122 D C 1.858 178.163 176.300 0.007 0.000 0.998 122 D CA 1.640 55.645 54.000 0.008 0.000 0.836 122 D CB -0.481 40.333 40.800 0.024 0.000 0.951 122 D HN 0.382 nan 8.370 nan 0.000 0.449 123 D N -0.116 120.292 120.400 0.013 0.000 2.144 123 D HA -0.070 4.608 4.640 0.063 0.000 0.199 123 D C 2.248 178.552 176.300 0.008 0.000 0.984 123 D CA 0.349 54.356 54.000 0.012 0.000 0.834 123 D CB -0.189 40.620 40.800 0.015 0.000 0.955 123 D HN 0.280 nan 8.370 nan 0.000 0.465 124 I N 0.335 120.909 120.570 0.007 0.000 2.202 124 I HA -0.192 4.016 4.170 0.063 0.000 0.242 124 I C 2.319 178.432 176.117 -0.006 0.000 1.091 124 I CA 0.655 61.956 61.300 0.003 0.000 1.368 124 I CB -0.077 37.927 38.000 0.007 0.000 1.058 124 I HN -0.055 nan 8.210 nan 0.000 0.410 125 I N 0.892 121.454 120.570 -0.013 0.000 2.286 125 I HA -0.271 3.937 4.170 0.063 0.000 0.248 125 I C 2.506 178.615 176.117 -0.012 0.000 1.115 125 I CA 1.300 62.588 61.300 -0.021 0.000 1.392 125 I CB -0.379 37.603 38.000 -0.030 0.000 1.065 125 I HN 0.180 nan 8.210 nan 0.000 0.418 126 A N 0.197 123.014 122.820 -0.005 0.000 2.239 126 A HA 0.199 4.557 4.320 0.063 0.000 0.209 126 A C 1.934 179.518 177.584 0.000 0.000 1.171 126 A CA 0.912 52.949 52.037 -0.001 0.000 0.768 126 A CB -0.745 18.257 19.000 0.003 0.000 0.790 126 A HN 0.605 nan 8.150 nan 0.000 0.478 127 G N -0.650 108.150 108.800 -0.000 0.000 2.179 127 G HA2 -0.323 3.675 3.960 0.063 0.000 0.260 127 G HA3 -0.323 3.675 3.960 0.063 0.000 0.260 127 G C 0.974 175.877 174.900 0.005 0.000 0.977 127 G CA 0.869 45.970 45.100 0.002 0.000 0.641 127 G HN 0.563 nan 8.290 nan 0.000 0.533 128 K N -0.269 120.135 120.400 0.006 0.000 2.167 128 K HA 0.102 4.460 4.320 0.063 0.000 0.203 128 K C 1.081 177.687 176.600 0.010 0.000 1.052 128 K CA 0.886 57.178 56.287 0.008 0.000 0.956 128 K CB 0.099 32.605 32.500 0.009 0.000 0.735 128 K HN 0.338 nan 8.250 nan 0.000 0.451 129 K N 0.968 121.375 120.400 0.011 0.000 2.375 129 K HA 0.312 4.670 4.320 0.063 0.000 0.249 129 K C -2.729 173.880 176.600 0.015 0.000 0.942 129 K CA -2.276 54.020 56.287 0.014 0.000 0.806 129 K CB 1.945 34.456 32.500 0.018 0.000 1.227 129 K HN -0.156 nan 8.250 nan 0.000 0.430 130 P HA 0.012 nan 4.420 nan 0.000 0.272 130 P C 0.025 177.339 177.300 0.023 0.000 1.230 130 P CA -0.041 63.071 63.100 0.019 0.000 0.788 130 P CB 0.889 32.603 31.700 0.022 0.000 0.949 131 A N 2.130 124.962 122.820 0.021 0.000 2.019 131 A HA -0.149 4.209 4.320 0.063 0.000 0.219 131 A C 1.891 179.503 177.584 0.046 0.000 1.164 131 A CA 2.209 54.261 52.037 0.024 0.000 0.644 131 A CB -1.918 17.085 19.000 0.005 0.000 0.805 131 A HN 0.691 nan 8.150 nan 0.000 0.449 132 T N -2.598 111.985 114.554 0.049 0.000 3.051 132 T HA -0.084 4.304 4.350 0.063 0.000 0.269 132 T C 0.805 175.541 174.700 0.059 0.000 1.127 132 T CA 1.362 63.500 62.100 0.063 0.000 1.107 132 T CB -0.346 68.558 68.868 0.059 0.000 0.898 132 T HN 0.345 nan 8.240 nan 0.000 0.517 133 D N 0.468 120.898 120.400 0.049 0.000 2.349 133 D HA 0.212 4.890 4.640 0.063 0.000 0.224 133 D C 0.477 176.810 176.300 0.054 0.000 1.029 133 D CA -0.186 53.841 54.000 0.045 0.000 0.879 133 D CB -0.324 40.497 40.800 0.035 0.000 0.906 133 D HN 0.341 nan 8.370 nan 0.000 0.528 134 L N 0.632 121.897 121.223 0.070 0.000 2.514 134 L HA 0.228 4.607 4.340 0.063 0.000 0.280 134 L C 1.231 178.156 176.870 0.090 0.000 1.223 134 L CA 0.195 55.090 54.840 0.091 0.000 0.864 134 L CB 0.752 42.889 42.059 0.130 0.000 1.118 134 L HN 0.025 nan 8.230 nan 0.000 0.494 135 G N 5.447 114.298 108.800 0.085 0.000 3.180 135 G HA2 0.413 4.411 3.960 0.063 0.000 0.252 135 G HA3 0.413 4.411 3.960 0.063 0.000 0.252 135 G C -0.468 174.453 174.900 0.036 0.000 0.871 135 G CA 0.382 45.515 45.100 0.054 0.000 1.979 135 G HN 0.768 nan 8.290 nan 0.000 0.624 136 V N -1.785 118.148 119.914 0.031 0.000 2.789 136 V HA 0.961 5.119 4.120 0.063 0.000 0.311 136 V C -0.690 175.366 176.094 -0.063 0.000 1.073 136 V CA -1.428 60.818 62.300 -0.089 0.000 0.921 136 V CB 2.009 33.847 31.823 0.025 0.000 1.009 136 V HN 0.539 nan 8.190 nan 0.000 0.426 137 K N 2.892 123.189 120.400 -0.171 0.000 2.546 137 K HA 0.883 5.242 4.320 0.063 0.000 0.264 137 K C -1.038 175.558 176.600 -0.007 0.000 0.937 137 K CA -0.485 55.789 56.287 -0.022 0.000 0.833 137 K CB 2.420 34.915 32.500 -0.008 0.000 1.378 137 K HN 1.344 nan 8.250 nan 0.000 0.432 138 A N 3.474 126.340 122.820 0.076 0.000 2.252 138 A HA 0.372 4.730 4.320 0.063 0.000 0.309 138 A C 0.669 178.259 177.584 0.010 0.000 1.285 138 A CA -0.926 51.115 52.037 0.006 0.000 0.900 138 A CB -0.084 18.744 19.000 -0.285 0.000 1.157 138 A HN 0.807 nan 8.150 nan 0.000 0.536 139 L N 1.034 122.258 121.223 0.001 0.000 2.240 139 L HA 0.093 4.471 4.340 0.063 0.000 0.211 139 L C 0.551 177.441 176.870 0.034 0.000 1.106 139 L CA 1.053 55.904 54.840 0.020 0.000 0.793 139 L CB -0.379 41.687 42.059 0.013 0.000 0.927 139 L HN 0.955 nan 8.230 nan 0.000 0.446 140 D N -4.621 115.782 120.400 0.005 0.000 2.851 140 D HA 0.048 4.726 4.640 0.063 0.000 0.339 140 D C -0.041 176.189 176.300 -0.118 0.000 1.347 140 D CA -0.608 53.396 54.000 0.007 0.000 0.888 140 D CB 0.166 40.988 40.800 0.036 0.000 1.431 140 D HN -0.341 nan 8.370 nan 0.000 0.509 141 D N -1.484 118.820 120.400 -0.159 0.000 2.263 141 D HA -0.075 4.603 4.640 0.063 0.000 0.208 141 D C 0.451 176.450 176.300 -0.502 0.000 0.971 141 D CA 1.188 54.979 54.000 -0.348 0.000 0.867 141 D CB -0.054 40.487 40.800 -0.432 0.000 0.929 141 D HN 0.389 nan 8.370 nan 0.000 0.492 142 H N -1.110 117.988 119.070 0.046 0.000 2.512 142 H HA 0.302 4.897 4.556 0.064 0.000 0.276 142 H C -0.205 175.166 175.328 0.071 0.000 1.126 142 H CA 0.061 56.143 56.048 0.056 0.000 1.060 142 H CB 0.393 30.194 29.762 0.064 0.000 1.646 142 H HN -0.139 nan 8.280 nan 0.000 0.571 143 T N 1.411 116.025 114.554 0.099 0.000 2.949 143 T HA 0.220 4.608 4.350 0.063 0.000 0.300 143 T C -1.140 173.618 174.700 0.097 0.000 0.988 143 T CA -0.513 61.640 62.100 0.089 0.000 0.993 143 T CB 1.286 70.202 68.868 0.080 0.000 0.984 143 T HN 0.057 nan 8.240 nan 0.000 0.442 144 F N 2.897 122.812 119.950 -0.058 0.000 2.444 144 F HA 0.578 5.143 4.527 0.063 0.000 0.342 144 F C 0.042 175.872 175.800 0.049 0.000 1.121 144 F CA -1.111 56.853 58.000 -0.058 0.000 0.997 144 F CB 1.101 39.989 39.000 -0.186 0.000 1.130 144 F HN 0.501 nan 8.300 nan 0.000 0.454 145 E N 5.667 125.620 120.200 -0.412 0.000 2.191 145 E HA 0.537 4.925 4.350 0.063 0.000 0.263 145 E C -1.817 174.539 176.600 -0.407 0.000 0.881 145 E CA -0.683 55.546 56.400 -0.285 0.000 0.757 145 E CB 1.804 31.407 29.700 -0.162 0.000 1.147 145 E HN 0.497 nan 8.360 nan 0.000 0.414 146 V N 3.534 123.354 119.914 -0.156 0.000 2.459 146 V HA 0.369 4.527 4.120 0.063 0.000 0.295 146 V C -0.147 175.963 176.094 0.027 0.000 1.029 146 V CA -0.605 61.657 62.300 -0.064 0.000 0.874 146 V CB 1.920 33.875 31.823 0.221 0.000 0.985 146 V HN 0.700 nan 8.190 nan 0.000 0.438 147 T N 6.490 121.042 114.554 -0.004 0.000 2.772 147 T HA 0.613 5.001 4.350 0.063 0.000 0.288 147 T C -0.284 174.415 174.700 -0.003 0.000 0.994 147 T CA -0.272 61.830 62.100 0.002 0.000 0.951 147 T CB 0.641 69.503 68.868 -0.010 0.000 0.933 147 T HN 0.343 nan 8.240 nan 0.000 0.447 148 L N 2.168 123.384 121.223 -0.011 0.000 2.375 148 L HA 0.426 4.804 4.340 0.063 0.000 0.268 148 L C 1.613 178.493 176.870 0.016 0.000 1.058 148 L CA -0.792 54.035 54.840 -0.021 0.000 0.803 148 L CB 1.353 43.375 42.059 -0.062 0.000 1.212 148 L HN 0.714 nan 8.230 nan 0.000 0.451 149 S N -0.655 115.069 115.700 0.039 0.000 2.562 149 S HA 0.058 4.566 4.470 0.063 0.000 0.221 149 S C 0.191 174.791 174.600 0.001 0.000 0.975 149 S CA -0.159 58.059 58.200 0.029 0.000 0.918 149 S CB -0.345 62.888 63.200 0.054 0.000 0.772 149 S HN 0.782 nan 8.310 nan 0.000 0.531 150 E N -0.547 119.642 120.200 -0.017 0.000 2.401 150 E HA 0.455 4.843 4.350 0.063 0.000 0.280 150 E C -3.557 173.038 176.600 -0.008 0.000 1.039 150 E CA -2.725 53.650 56.400 -0.043 0.000 0.814 150 E CB 0.331 29.959 29.700 -0.121 0.000 1.275 150 E HN -0.067 nan 8.360 nan 0.000 0.448 151 P HA 0.101 nan 4.420 nan 0.000 0.267 151 P C -0.669 176.663 177.300 0.053 0.000 1.205 151 P CA -0.272 62.914 63.100 0.144 0.000 0.765 151 P CB 0.619 32.443 31.700 0.207 0.000 0.828 152 V N 6.858 126.844 119.914 0.120 0.000 2.380 152 V HA 0.171 4.329 4.120 0.063 0.000 0.272 152 V C -1.694 174.364 176.094 -0.060 0.000 1.011 152 V CA -1.256 60.955 62.300 -0.147 0.000 0.826 152 V CB 1.650 33.345 31.823 -0.213 0.000 1.040 152 V HN 0.393 nan 8.190 nan 0.000 0.441 153 P HA -0.108 nan 4.420 nan 0.000 0.220 153 P C 0.984 178.372 177.300 0.146 0.000 1.148 153 P CA 1.184 64.084 63.100 -0.334 0.000 0.803 153 P CB -0.006 31.300 31.700 -0.657 0.000 0.782 154 Y N -4.507 115.848 120.300 0.091 0.000 2.461 154 Y HA 0.315 4.902 4.550 0.063 0.000 0.277 154 Y C 1.774 177.525 175.900 -0.248 0.000 1.182 154 Y CA -1.007 57.060 58.100 -0.056 0.000 1.276 154 Y CB -1.473 36.958 38.460 -0.049 0.000 1.087 154 Y HN -0.210 nan 8.280 nan 0.000 0.519 155 F N 2.541 122.209 119.950 -0.470 0.000 2.087 155 F HA -0.322 4.245 4.527 0.067 0.000 0.299 155 F C 2.403 177.846 175.800 -0.594 0.000 1.100 155 F CA 1.906 59.524 58.000 -0.637 0.000 1.226 155 F CB -0.890 37.554 39.000 -0.927 0.000 0.983 155 F HN 0.316 nan 8.300 nan 0.000 0.479 156 Y N 0.011 119.906 120.300 -0.676 0.000 2.315 156 Y HA -0.107 4.478 4.550 0.058 0.000 0.288 156 Y C 2.028 177.737 175.900 -0.318 0.000 1.154 156 Y CA 1.391 59.178 58.100 -0.523 0.000 1.229 156 Y CB -1.464 36.881 38.460 -0.191 0.000 0.980 156 Y HN 0.046 nan 8.280 nan 0.000 0.540 157 K N 0.190 120.021 120.400 -0.948 0.000 2.147 157 K HA -0.113 4.245 4.320 0.063 0.000 0.205 157 K C 1.658 178.099 176.600 -0.265 0.000 1.049 157 K CA 1.476 57.471 56.287 -0.486 0.000 0.936 157 K CB -0.266 32.034 32.500 -0.333 0.000 0.722 157 K HN 0.280 nan 8.250 nan 0.000 0.446 158 L N 0.680 121.608 121.223 -0.492 0.000 2.201 158 L HA -0.096 4.282 4.340 0.063 0.000 0.212 158 L C 1.689 178.520 176.870 -0.065 0.000 1.105 158 L CA 1.322 55.955 54.840 -0.345 0.000 0.775 158 L CB -0.334 41.295 42.059 -0.718 0.000 0.913 158 L HN 0.138 nan 8.230 nan 0.000 0.440 159 L N -0.645 120.442 121.223 -0.227 0.000 2.622 159 L HA -0.044 4.334 4.340 0.063 0.000 0.233 159 L C 1.911 178.790 176.870 0.015 0.000 1.156 159 L CA 0.137 54.900 54.840 -0.129 0.000 0.866 159 L CB -0.652 41.224 42.059 -0.306 0.000 0.980 159 L HN 0.252 nan 8.230 nan 0.000 0.448 160 V N -4.982 114.978 119.914 0.076 0.000 3.541 160 V HA 0.025 4.184 4.120 0.063 0.000 0.267 160 V C 1.308 177.465 176.094 0.106 0.000 1.213 160 V CA -0.014 62.364 62.300 0.130 0.000 1.149 160 V CB -0.845 31.082 31.823 0.172 0.000 0.822 160 V HN 0.339 nan 8.190 nan 0.000 0.462 161 H N 1.760 120.818 119.070 -0.020 0.000 2.732 161 H HA 0.214 4.807 4.556 0.062 0.000 0.351 161 H C -1.810 173.384 175.328 -0.223 0.000 1.090 161 H CA -1.215 54.714 56.048 -0.198 0.000 1.431 161 H CB 2.077 31.559 29.762 -0.466 0.000 1.447 161 H HN 0.104 nan 8.280 nan 0.000 0.582 162 P HA -0.169 nan 4.420 nan 0.000 0.219 162 P C 1.517 178.640 177.300 -0.295 0.000 1.146 162 P CA 1.769 64.610 63.100 -0.432 0.000 0.808 162 P CB 0.134 31.528 31.700 -0.510 0.000 0.779 163 S N -0.913 114.600 115.700 -0.312 0.000 2.442 163 S HA -0.103 4.405 4.470 0.063 0.000 0.236 163 S C 1.505 176.089 174.600 -0.025 0.000 1.007 163 S CA 1.368 59.506 58.200 -0.103 0.000 0.965 163 S CB -1.547 61.561 63.200 -0.154 0.000 0.773 163 S HN 0.159 nan 8.310 nan 0.000 0.504 164 V N -1.197 118.691 119.914 -0.043 0.000 3.249 164 V HA 0.448 4.607 4.120 0.063 0.000 0.338 164 V C 0.295 176.627 176.094 0.398 0.000 1.363 164 V CA -0.681 61.640 62.300 0.035 0.000 1.205 164 V CB -0.648 31.053 31.823 -0.204 0.000 1.164 164 V HN 0.258 nan 8.190 nan 0.000 0.458 165 S N 3.227 119.049 115.700 0.204 0.000 2.610 165 S HA 0.525 5.033 4.470 0.063 0.000 0.273 165 S C -2.298 172.324 174.600 0.037 0.000 1.274 165 S CA -0.657 57.646 58.200 0.172 0.000 1.023 165 S CB 1.321 64.578 63.200 0.094 0.000 0.962 165 S HN 0.492 nan 8.310 nan 0.000 0.523 166 P HA 0.295 nan 4.420 nan 0.000 0.277 166 P C -0.928 176.417 177.300 0.074 0.000 1.240 166 P CA -0.419 62.541 63.100 -0.233 0.000 0.798 166 P CB 0.712 32.047 31.700 -0.609 0.000 0.979 167 V N -1.368 118.578 119.914 0.052 0.000 2.769 167 V HA 0.659 4.817 4.120 0.063 0.000 0.312 167 V C -2.644 173.367 176.094 -0.138 0.000 1.061 167 V CA -3.028 59.207 62.300 -0.108 0.000 0.931 167 V CB 1.776 33.333 31.823 -0.444 0.000 1.010 167 V HN 0.373 nan 8.190 nan 0.000 0.433 168 P HA 0.276 nan 4.420 nan 0.000 0.284 168 P C 0.234 177.181 177.300 -0.589 0.000 1.343 168 P CA -0.300 62.326 63.100 -0.790 0.000 0.826 168 P CB 1.531 32.628 31.700 -1.006 0.000 0.956 169 K N 3.386 123.437 120.400 -0.582 0.000 2.044 169 K HA -0.200 4.158 4.320 0.063 0.000 0.210 169 K C 1.908 178.206 176.600 -0.503 0.000 1.049 169 K CA 2.453 58.267 56.287 -0.790 0.000 0.927 169 K CB -0.264 31.526 32.500 -1.183 0.000 0.713 169 K HN 0.443 nan 8.250 nan 0.000 0.443 170 S N 0.085 115.547 115.700 -0.397 0.000 2.382 170 S HA -0.125 4.383 4.470 0.063 0.000 0.228 170 S C 2.166 176.649 174.600 -0.196 0.000 1.027 170 S CA 1.007 59.046 58.200 -0.267 0.000 0.991 170 S CB -0.383 62.690 63.200 -0.212 0.000 0.823 170 S HN 0.422 nan 8.310 nan 0.000 0.469 171 A N 1.457 124.187 122.820 -0.150 0.000 1.897 171 A HA 0.146 4.504 4.320 0.063 0.000 0.215 171 A C 2.431 180.060 177.584 0.076 0.000 1.181 171 A CA 1.381 53.484 52.037 0.110 0.000 0.620 171 A CB -1.101 18.014 19.000 0.192 0.000 0.821 171 A HN 0.427 nan 8.150 nan 0.000 0.443 172 V N 0.198 119.943 119.914 -0.282 0.000 2.255 172 V HA -0.297 3.861 4.120 0.063 0.000 0.247 172 V C 2.475 178.513 176.094 -0.093 0.000 1.051 172 V CA 2.443 64.534 62.300 -0.349 0.000 1.018 172 V CB -0.808 30.728 31.823 -0.479 0.000 0.641 172 V HN 0.639 nan 8.190 nan 0.000 0.445 173 E N -0.403 119.712 120.200 -0.142 0.000 2.110 173 E HA -0.268 4.120 4.350 0.063 0.000 0.193 173 E C 2.269 178.781 176.600 -0.148 0.000 0.988 173 E CA 1.448 57.780 56.400 -0.113 0.000 0.804 173 E CB -0.090 29.523 29.700 -0.145 0.000 0.745 173 E HN 0.536 nan 8.360 nan 0.000 0.458 174 K N -0.022 120.227 120.400 -0.252 0.000 2.076 174 K HA -0.076 4.282 4.320 0.063 0.000 0.204 174 K C 1.150 177.418 176.600 -0.554 0.000 1.051 174 K CA 1.091 57.080 56.287 -0.497 0.000 0.949 174 K CB 0.102 32.123 32.500 -0.798 0.000 0.726 174 K HN 0.010 nan 8.250 nan 0.000 0.443 175 F N 0.240 120.236 119.950 0.076 0.000 2.678 175 F HA 0.339 4.905 4.527 0.063 0.000 0.305 175 F C 1.383 177.274 175.800 0.152 0.000 1.090 175 F CA 0.159 58.230 58.000 0.118 0.000 1.272 175 F CB 0.405 39.502 39.000 0.161 0.000 1.060 175 F HN 0.289 nan 8.300 nan 0.000 0.576 176 G N 1.966 110.921 108.800 0.258 0.000 2.622 176 G HA2 -0.469 3.529 3.960 0.063 0.000 0.307 176 G HA3 -0.469 3.529 3.960 0.063 0.000 0.307 176 G C 0.717 175.836 174.900 0.365 0.000 1.226 176 G CA 0.875 46.118 45.100 0.238 0.000 0.997 176 G HN 0.414 nan 8.290 nan 0.000 0.551 177 D N 0.519 121.072 120.400 0.255 0.000 2.363 177 D HA 0.114 4.793 4.640 0.063 0.000 0.226 177 D C 1.598 177.988 176.300 0.150 0.000 1.020 177 D CA 1.197 55.329 54.000 0.221 0.000 0.892 177 D CB 0.034 40.913 40.800 0.131 0.000 0.900 177 D HN 0.582 nan 8.370 nan 0.000 0.531 178 K N 0.255 120.770 120.400 0.191 0.000 2.397 178 K HA 0.091 4.449 4.320 0.063 0.000 0.202 178 K C 1.165 177.844 176.600 0.132 0.000 1.022 178 K CA -0.369 55.980 56.287 0.103 0.000 1.141 178 K CB -0.018 32.540 32.500 0.097 0.000 0.857 178 K HN 0.361 nan 8.250 nan 0.000 0.514 179 W N 1.501 122.895 121.300 0.155 0.000 2.364 179 W HA -0.162 4.535 4.660 0.062 0.000 0.281 179 W C 0.914 177.494 176.519 0.101 0.000 1.219 179 W CA 1.592 59.032 57.345 0.158 0.000 1.220 179 W CB -0.936 28.643 29.460 0.198 0.000 1.127 179 W HN -0.052 nan 8.180 nan 0.000 0.556 180 T N -0.790 113.457 114.554 -0.511 0.000 3.129 180 T HA 0.025 4.413 4.350 0.063 0.000 0.251 180 T C 0.861 175.527 174.700 -0.057 0.000 1.117 180 T CA 0.044 61.860 62.100 -0.473 0.000 1.034 180 T CB -0.143 68.380 68.868 -0.574 0.000 0.968 180 T HN -0.059 nan 8.240 nan 0.000 0.526 181 Q N 1.813 121.590 119.800 -0.039 0.000 2.421 181 Q HA 0.208 4.586 4.340 0.063 0.000 0.255 181 Q C -1.657 174.343 176.000 0.000 0.000 1.013 181 Q CA -2.150 53.656 55.803 0.004 0.000 0.895 181 Q CB 1.092 29.785 28.738 -0.075 0.000 1.271 181 Q HN 0.130 nan 8.270 nan 0.000 0.460 182 P HA -0.143 nan 4.420 nan 0.000 0.216 182 P C 0.624 177.913 177.300 -0.018 0.000 1.150 182 P CA 1.849 64.965 63.100 0.025 0.000 0.837 182 P CB 0.179 31.908 31.700 0.049 0.000 0.786 183 A N -0.784 122.000 122.820 -0.060 0.000 2.067 183 A HA -0.140 4.218 4.320 0.063 0.000 0.219 183 A C 1.910 179.396 177.584 -0.163 0.000 1.158 183 A CA 1.532 53.514 52.037 -0.092 0.000 0.661 183 A CB -0.822 18.118 19.000 -0.100 0.000 0.801 183 A HN 0.155 nan 8.150 nan 0.000 0.452 184 N N -1.083 117.473 118.700 -0.241 0.000 2.463 184 N HA 0.175 4.953 4.740 0.063 0.000 0.183 184 N C 0.602 176.094 175.510 -0.029 0.000 1.064 184 N CA -0.163 52.668 53.050 -0.365 0.000 0.879 184 N CB 0.037 38.053 38.487 -0.784 0.000 1.148 184 N HN 0.508 nan 8.380 nan 0.000 0.451 185 I N 1.789 122.391 120.570 0.054 0.000 2.892 185 I HA -0.029 4.179 4.170 0.063 0.000 0.287 185 I C -0.641 175.605 176.117 0.215 0.000 1.205 185 I CA 0.137 61.572 61.300 0.225 0.000 1.409 185 I CB 0.678 38.748 38.000 0.117 0.000 1.367 185 I HN -0.288 nan 8.210 nan 0.000 0.597 186 V N 5.552 125.655 119.914 0.315 0.000 2.638 186 V HA 0.443 4.601 4.120 0.063 0.000 0.306 186 V C -0.177 176.187 176.094 0.450 0.000 1.052 186 V CA -0.449 62.008 62.300 0.262 0.000 0.885 186 V CB 1.983 33.856 31.823 0.083 0.000 0.999 186 V HN 0.890 nan 8.190 nan 0.000 0.424 187 T N 0.129 114.917 114.554 0.390 0.000 2.916 187 T HA 0.483 4.871 4.350 0.063 0.000 0.292 187 T C 0.108 174.983 174.700 0.292 0.000 1.055 187 T CA -0.677 61.562 62.100 0.231 0.000 1.009 187 T CB 2.068 70.776 68.868 -0.267 0.000 1.118 187 T HN 0.648 nan 8.240 nan 0.000 0.497 188 N N -0.321 118.392 118.700 0.022 0.000 2.197 188 N HA 0.217 4.995 4.740 0.063 0.000 0.228 188 N C 0.591 176.082 175.510 -0.033 0.000 1.212 188 N CA -0.381 52.589 53.050 -0.133 0.000 0.883 188 N CB 0.434 38.502 38.487 -0.700 0.000 1.107 188 N HN 0.817 nan 8.380 nan 0.000 0.519 189 G N 0.021 108.736 108.800 -0.142 0.000 2.510 189 G HA2 0.510 4.508 3.960 0.063 0.000 0.280 189 G HA3 0.510 4.508 3.960 0.063 0.000 0.280 189 G C 0.831 175.349 174.900 -0.637 0.000 1.386 189 G CA -0.020 44.905 45.100 -0.292 0.000 1.047 189 G HN 0.205 nan 8.290 nan 0.000 0.527 190 A N -1.726 120.506 122.820 -0.981 0.000 2.121 190 A HA 0.262 4.621 4.320 0.063 0.000 0.218 190 A C 0.378 177.438 177.584 -0.873 0.000 1.154 190 A CA 0.941 52.310 52.037 -1.113 0.000 0.679 190 A CB -0.346 18.093 19.000 -0.936 0.000 0.795 190 A HN 0.453 nan 8.150 nan 0.000 0.458 191 Y N -1.130 119.029 120.300 -0.235 0.000 2.598 191 Y HA 0.577 5.162 4.550 0.059 0.000 0.340 191 Y C 0.168 175.988 175.900 -0.132 0.000 1.038 191 Y CA -0.980 57.040 58.100 -0.135 0.000 1.100 191 Y CB 1.600 39.998 38.460 -0.103 0.000 1.281 191 Y HN -0.043 nan 8.280 nan 0.000 0.488 192 K N 1.085 121.532 120.400 0.077 0.000 2.395 192 K HA 0.540 4.898 4.320 0.063 0.000 0.247 192 K C -1.793 174.817 176.600 0.017 0.000 0.973 192 K CA -1.228 55.067 56.287 0.014 0.000 0.828 192 K CB 2.576 35.095 32.500 0.030 0.000 1.272 192 K HN 0.401 nan 8.250 nan 0.000 0.439 193 L N 2.280 123.492 121.223 -0.018 0.000 2.319 193 L HA 0.176 4.554 4.340 0.063 0.000 0.280 193 L C 0.946 177.827 176.870 0.018 0.000 1.099 193 L CA 0.635 55.464 54.840 -0.019 0.000 0.828 193 L CB 0.677 42.708 42.059 -0.046 0.000 1.150 193 L HN 0.716 nan 8.230 nan 0.000 0.442 194 K N 3.277 123.693 120.400 0.027 0.000 2.161 194 K HA 0.226 4.584 4.320 0.063 0.000 0.205 194 K C -0.114 176.516 176.600 0.050 0.000 1.035 194 K CA 0.260 56.569 56.287 0.037 0.000 0.970 194 K CB 0.418 32.940 32.500 0.037 0.000 0.866 194 K HN 0.728 nan 8.250 nan 0.000 0.461 195 N N -0.693 118.044 118.700 0.063 0.000 2.242 195 N HA 0.122 4.900 4.740 0.063 0.000 0.292 195 N C -2.011 173.607 175.510 0.180 0.000 1.125 195 N CA -0.471 52.638 53.050 0.098 0.000 0.783 195 N CB 1.677 40.209 38.487 0.075 0.000 1.558 195 N HN 0.112 nan 8.380 nan 0.000 0.472 196 W N 2.654 123.939 121.300 -0.025 0.000 2.642 196 W HA 0.410 5.111 4.660 0.067 0.000 0.304 196 W C -1.961 174.542 176.519 -0.025 0.000 1.023 196 W CA -0.644 56.684 57.345 -0.028 0.000 1.290 196 W CB 0.282 29.715 29.460 -0.045 0.000 1.190 196 W HN 0.087 nan 8.180 nan 0.000 0.374 197 V N 6.511 126.602 119.914 0.296 0.000 2.328 197 V HA 0.239 4.398 4.120 0.063 0.000 0.278 197 V C 0.434 176.596 176.094 0.114 0.000 1.021 197 V CA -1.031 61.324 62.300 0.092 0.000 0.838 197 V CB 1.013 32.876 31.823 0.066 0.000 0.999 197 V HN 0.162 nan 8.190 nan 0.000 0.447 198 V N 5.564 125.438 119.914 -0.067 0.000 2.584 198 V HA -0.002 4.156 4.120 0.063 0.000 0.303 198 V C 1.265 177.383 176.094 0.041 0.000 1.035 198 V CA 0.909 63.198 62.300 -0.018 0.000 1.172 198 V CB -0.677 31.054 31.823 -0.154 0.000 0.896 198 V HN 1.154 nan 8.190 nan 0.000 0.486 199 N N 2.033 120.787 118.700 0.090 0.000 2.800 199 N HA -0.219 4.559 4.740 0.063 0.000 0.250 199 N C 0.877 176.418 175.510 0.051 0.000 1.078 199 N CA 1.155 54.242 53.050 0.060 0.000 0.804 199 N CB -0.438 38.069 38.487 0.033 0.000 1.135 199 N HN 0.900 nan 8.380 nan 0.000 0.565 200 E N -0.318 119.925 120.200 0.072 0.000 3.441 200 E HA 0.248 4.636 4.350 0.063 0.000 0.195 200 E C -0.027 176.612 176.600 0.065 0.000 1.172 200 E CA 0.134 56.567 56.400 0.054 0.000 1.457 200 E CB 0.764 30.491 29.700 0.044 0.000 1.388 200 E HN 0.363 nan 8.360 nan 0.000 0.551 201 R N -0.247 120.316 120.500 0.104 0.000 2.709 201 R HA 0.462 4.840 4.340 0.063 0.000 0.270 201 R C -1.697 174.681 176.300 0.130 0.000 1.038 201 R CA -0.694 55.460 56.100 0.090 0.000 0.872 201 R CB 0.506 30.838 30.300 0.052 0.000 1.259 201 R HN -0.019 nan 8.270 nan 0.000 0.473 202 I N 1.854 122.465 120.570 0.069 0.000 2.436 202 I HA 0.404 4.612 4.170 0.063 0.000 0.289 202 I C -0.843 175.292 176.117 0.030 0.000 1.010 202 I CA -1.193 60.111 61.300 0.006 0.000 1.098 202 I CB 2.347 40.249 38.000 -0.163 0.000 1.266 202 I HN 0.315 nan 8.210 nan 0.000 0.434 203 V N 7.309 127.237 119.914 0.022 0.000 2.448 203 V HA 0.501 4.659 4.120 0.063 0.000 0.295 203 V C -0.127 175.969 176.094 0.004 0.000 1.025 203 V CA -0.544 61.762 62.300 0.009 0.000 0.859 203 V CB 1.836 33.668 31.823 0.016 0.000 0.988 203 V HN 0.466 nan 8.190 nan 0.000 0.431 204 L N 4.800 126.017 121.223 -0.010 0.000 2.334 204 L HA 0.755 5.133 4.340 0.063 0.000 0.273 204 L C -0.086 176.830 176.870 0.076 0.000 1.013 204 L CA -0.592 54.256 54.840 0.013 0.000 0.816 204 L CB 2.033 44.069 42.059 -0.037 0.000 1.278 204 L HN 0.795 nan 8.230 nan 0.000 0.431 205 E N 1.639 121.938 120.200 0.164 0.000 2.288 205 E HA 0.421 4.809 4.350 0.063 0.000 0.268 205 E C -0.819 175.939 176.600 0.264 0.000 0.885 205 E CA -1.132 55.386 56.400 0.198 0.000 0.767 205 E CB 2.164 31.923 29.700 0.097 0.000 1.220 205 E HN 0.460 nan 8.360 nan 0.000 0.427 206 R N 1.621 122.237 120.500 0.193 0.000 2.538 206 R HA -0.122 4.256 4.340 0.063 0.000 0.273 206 R C -0.599 175.640 176.300 -0.102 0.000 0.967 206 R CA 0.267 56.297 56.100 -0.117 0.000 1.101 206 R CB 0.230 30.486 30.300 -0.072 0.000 0.908 206 R HN 0.604 nan 8.270 nan 0.000 0.411 207 N N 5.643 124.222 118.700 -0.203 0.000 2.527 207 N HA 0.204 4.982 4.740 0.063 0.000 0.236 207 N C -2.062 173.430 175.510 -0.030 0.000 0.999 207 N CA -2.424 50.580 53.050 -0.076 0.000 0.935 207 N CB 1.544 39.982 38.487 -0.081 0.000 1.132 207 N HN 0.367 nan 8.380 nan 0.000 0.511 208 P HA -0.090 nan 4.420 nan 0.000 0.225 208 P C 0.558 177.882 177.300 0.040 0.000 1.148 208 P CA 1.004 64.112 63.100 0.013 0.000 0.779 208 P CB 0.461 32.171 31.700 0.017 0.000 0.780 209 Q N -1.798 118.044 119.800 0.070 0.000 2.432 209 Q HA -0.025 4.353 4.340 0.063 0.000 0.205 209 Q C 0.508 176.581 176.000 0.121 0.000 0.945 209 Q CA -0.061 55.799 55.803 0.096 0.000 0.924 209 Q CB -0.713 28.100 28.738 0.126 0.000 1.016 209 Q HN 0.328 nan 8.270 nan 0.000 0.503 210 Y N 2.640 122.913 120.300 -0.045 0.000 2.810 210 Y HA -0.205 4.380 4.550 0.059 0.000 0.332 210 Y C 1.360 177.216 175.900 -0.074 0.000 1.243 210 Y CA -0.445 57.598 58.100 -0.095 0.000 1.537 210 Y CB 0.274 38.594 38.460 -0.233 0.000 1.265 210 Y HN 0.256 nan 8.280 nan 0.000 0.572 211 W N 4.212 125.204 121.300 -0.513 0.000 2.325 211 W HA -0.209 4.487 4.660 0.059 0.000 0.299 211 W C 0.305 176.510 176.519 -0.523 0.000 1.215 211 W CA 1.406 58.485 57.345 -0.444 0.000 1.244 211 W CB -0.381 28.870 29.460 -0.348 0.000 1.140 211 W HN 0.528 nan 8.180 nan 0.000 0.523 212 D N 0.761 119.995 120.400 -1.943 0.000 2.427 212 D HA -0.019 4.659 4.640 0.063 0.000 0.224 212 D C 1.444 177.398 176.300 -0.576 0.000 1.157 212 D CA 0.049 53.243 54.000 -1.343 0.000 0.828 212 D CB -0.665 38.977 40.800 -1.928 0.000 0.974 212 D HN 0.048 nan 8.370 nan 0.000 0.498 213 N N 0.384 118.878 118.700 -0.344 0.000 2.137 213 N HA -0.197 4.581 4.740 0.063 0.000 0.190 213 N C 1.689 177.149 175.510 -0.085 0.000 1.017 213 N CA 1.616 54.613 53.050 -0.088 0.000 0.859 213 N CB -0.014 38.445 38.487 -0.046 0.000 1.002 213 N HN 0.147 nan 8.380 nan 0.000 0.428 214 A N 0.285 123.047 122.820 -0.096 0.000 2.024 214 A HA -0.143 4.215 4.320 0.063 0.000 0.220 214 A C 1.909 179.462 177.584 -0.052 0.000 1.164 214 A CA 1.400 53.402 52.037 -0.058 0.000 0.643 214 A CB -0.329 18.644 19.000 -0.045 0.000 0.806 214 A HN 0.414 nan 8.150 nan 0.000 0.451 215 K N -0.483 119.872 120.400 -0.074 0.000 2.426 215 K HA 0.055 4.413 4.320 0.063 0.000 0.193 215 K C -0.128 176.465 176.600 -0.012 0.000 1.028 215 K CA 0.184 56.445 56.287 -0.044 0.000 1.047 215 K CB 0.060 32.526 32.500 -0.057 0.000 0.821 215 K HN 0.302 nan 8.250 nan 0.000 0.513 216 T N 1.080 115.621 114.554 -0.020 0.000 2.901 216 T HA 0.064 4.453 4.350 0.063 0.000 0.301 216 T C 1.286 176.006 174.700 0.033 0.000 1.012 216 T CA -0.154 61.946 62.100 0.000 0.000 1.135 216 T CB 1.683 70.500 68.868 -0.085 0.000 0.936 216 T HN -0.183 nan 8.240 nan 0.000 0.539 217 V N 2.926 122.895 119.914 0.092 0.000 2.854 217 V HA 0.166 4.324 4.120 0.063 0.000 0.236 217 V C 0.928 177.102 176.094 0.133 0.000 1.157 217 V CA 0.134 62.499 62.300 0.108 0.000 1.187 217 V CB 0.143 32.053 31.823 0.145 0.000 0.949 217 V HN 0.709 nan 8.190 nan 0.000 0.488 218 I N 2.839 123.521 120.570 0.187 0.000 2.598 218 I HA 0.065 4.273 4.170 0.063 0.000 0.284 218 I C 1.035 177.295 176.117 0.238 0.000 1.140 218 I CA 0.566 61.980 61.300 0.190 0.000 1.420 218 I CB 0.286 38.390 38.000 0.174 0.000 1.387 218 I HN 0.321 nan 8.210 nan 0.000 0.553 219 N N 4.449 123.244 118.700 0.158 0.000 2.415 219 N HA -0.026 4.752 4.740 0.063 0.000 0.176 219 N C 0.442 176.063 175.510 0.185 0.000 1.042 219 N CA 0.502 53.643 53.050 0.152 0.000 0.902 219 N CB 0.560 39.095 38.487 0.079 0.000 0.986 219 N HN 0.655 nan 8.380 nan 0.000 0.447 220 Q N 0.459 120.329 119.800 0.118 0.000 2.327 220 Q HA 0.378 4.756 4.340 0.063 0.000 0.265 220 Q C -2.167 173.786 176.000 -0.079 0.000 0.993 220 Q CA -0.409 55.417 55.803 0.038 0.000 0.885 220 Q CB 2.246 30.996 28.738 0.019 0.000 1.379 220 Q HN -0.102 nan 8.270 nan 0.000 0.408 221 V N 2.943 122.742 119.914 -0.191 0.000 2.656 221 V HA 0.727 4.885 4.120 0.063 0.000 0.307 221 V C -1.262 174.674 176.094 -0.263 0.000 1.051 221 V CA -0.020 62.101 62.300 -0.299 0.000 0.893 221 V CB 2.356 33.891 31.823 -0.480 0.000 0.999 221 V HN 0.879 nan 8.190 nan 0.000 0.426 222 T N 6.641 121.025 114.554 -0.283 0.000 2.797 222 T HA 0.590 4.978 4.350 0.063 0.000 0.279 222 T C -1.314 173.184 174.700 -0.336 0.000 0.991 222 T CA 0.074 62.058 62.100 -0.193 0.000 0.979 222 T CB 0.940 69.743 68.868 -0.109 0.000 0.943 222 T HN 0.570 nan 8.240 nan 0.000 0.444 223 Y N 2.554 122.788 120.300 -0.111 0.000 2.331 223 Y HA 0.542 5.128 4.550 0.061 0.000 0.338 223 Y C 0.164 176.012 175.900 -0.087 0.000 0.992 223 Y CA -0.897 57.135 58.100 -0.113 0.000 1.121 223 Y CB 0.874 39.244 38.460 -0.151 0.000 1.184 223 Y HN 0.407 nan 8.280 nan 0.000 0.469 224 L N 5.979 127.225 121.223 0.038 0.000 2.352 224 L HA 0.537 4.915 4.340 0.063 0.000 0.269 224 L C -2.004 174.858 176.870 -0.014 0.000 1.034 224 L CA -1.939 52.908 54.840 0.012 0.000 0.806 224 L CB 1.816 43.869 42.059 -0.010 0.000 1.244 224 L HN 0.424 nan 8.230 nan 0.000 0.447 225 P HA 0.276 nan 4.420 nan 0.000 0.253 225 P C -0.462 176.791 177.300 -0.079 0.000 1.863 225 P CA -0.055 63.009 63.100 -0.061 0.000 1.145 225 P CB 0.045 31.746 31.700 0.001 0.000 1.666 226 I N 1.259 121.776 120.570 -0.088 0.000 2.322 226 I HA 0.051 4.259 4.170 0.063 0.000 0.292 226 I C 1.652 177.704 176.117 -0.108 0.000 1.060 226 I CA 0.047 61.305 61.300 -0.070 0.000 1.309 226 I CB 0.970 38.946 38.000 -0.040 0.000 1.415 226 I HN 0.036 nan 8.210 nan 0.000 0.492 227 S N 2.336 117.984 115.700 -0.087 0.000 2.503 227 S HA -0.022 4.486 4.470 0.063 0.000 0.217 227 S C 1.027 175.596 174.600 -0.052 0.000 0.999 227 S CA -0.317 57.826 58.200 -0.096 0.000 0.914 227 S CB 0.110 63.269 63.200 -0.067 0.000 0.782 227 S HN 0.598 nan 8.310 nan 0.000 0.520 228 S N 1.429 117.110 115.700 -0.031 0.000 2.430 228 S HA 0.212 4.720 4.470 0.063 0.000 0.282 228 S C 0.673 175.261 174.600 -0.021 0.000 1.186 228 S CA -0.502 57.687 58.200 -0.019 0.000 1.060 228 S CB 0.598 63.794 63.200 -0.007 0.000 0.966 228 S HN 0.362 nan 8.310 nan 0.000 0.501 229 E N 3.633 123.817 120.200 -0.026 0.000 2.204 229 E HA -0.069 4.319 4.350 0.063 0.000 0.194 229 E C 1.864 178.457 176.600 -0.013 0.000 0.989 229 E CA 0.917 57.306 56.400 -0.017 0.000 0.824 229 E CB -0.153 29.528 29.700 -0.032 0.000 0.756 229 E HN 0.573 nan 8.360 nan 0.000 0.477 230 V N 0.624 120.530 119.914 -0.012 0.000 2.307 230 V HA -0.263 3.895 4.120 0.063 0.000 0.245 230 V C 2.088 178.184 176.094 0.003 0.000 1.045 230 V CA 2.200 64.497 62.300 -0.004 0.000 1.024 230 V CB -0.701 31.119 31.823 -0.004 0.000 0.651 230 V HN 0.345 nan 8.190 nan 0.000 0.449 231 T N -0.549 114.007 114.554 0.002 0.000 2.788 231 T HA -0.208 4.181 4.350 0.063 0.000 0.268 231 T C 1.761 176.470 174.700 0.015 0.000 1.044 231 T CA 1.661 63.766 62.100 0.008 0.000 1.139 231 T CB -0.375 68.494 68.868 0.003 0.000 0.867 231 T HN 0.534 nan 8.240 nan 0.000 0.454 232 D N 1.092 121.498 120.400 0.009 0.000 2.092 232 D HA -0.097 4.581 4.640 0.063 0.000 0.193 232 D C 2.148 178.470 176.300 0.037 0.000 0.994 232 D CA 0.874 54.885 54.000 0.019 0.000 0.828 232 D CB -0.499 40.307 40.800 0.011 0.000 0.963 232 D HN 0.185 nan 8.370 nan 0.000 0.450 233 V N 1.079 121.000 119.914 0.011 0.000 2.332 233 V HA -0.242 3.916 4.120 0.063 0.000 0.248 233 V C 2.258 178.399 176.094 0.077 0.000 1.055 233 V CA 1.776 64.084 62.300 0.014 0.000 1.038 233 V CB -0.643 31.168 31.823 -0.020 0.000 0.651 233 V HN 0.247 nan 8.190 nan 0.000 0.450 234 N N 0.514 119.244 118.700 0.050 0.000 2.084 234 N HA -0.149 4.629 4.740 0.063 0.000 0.190 234 N C 1.936 177.484 175.510 0.064 0.000 1.030 234 N CA 1.438 54.518 53.050 0.050 0.000 0.849 234 N CB -0.361 38.143 38.487 0.029 0.000 1.012 234 N HN 0.490 nan 8.380 nan 0.000 0.423 235 R N -0.736 119.802 120.500 0.063 0.000 2.236 235 R HA -0.040 4.338 4.340 0.063 0.000 0.208 235 R C 1.762 178.111 176.300 0.082 0.000 1.036 235 R CA 0.329 56.461 56.100 0.055 0.000 1.001 235 R CB -0.201 30.121 30.300 0.036 0.000 0.896 235 R HN 0.356 nan 8.270 nan 0.000 0.464 236 Y N 1.579 121.864 120.300 -0.025 0.000 2.153 236 Y HA -0.099 4.488 4.550 0.061 0.000 0.289 236 Y C 1.957 177.842 175.900 -0.026 0.000 1.127 236 Y CA 1.351 59.427 58.100 -0.040 0.000 1.131 236 Y CB 0.131 38.550 38.460 -0.068 0.000 0.995 236 Y HN -0.206 nan 8.280 nan 0.000 0.505 237 R N -0.047 120.565 120.500 0.186 0.000 2.235 237 R HA -0.074 4.304 4.340 0.063 0.000 0.213 237 R C 2.371 178.678 176.300 0.012 0.000 1.059 237 R CA 1.108 57.255 56.100 0.079 0.000 0.997 237 R CB -0.436 29.935 30.300 0.119 0.000 0.884 237 R HN 0.468 nan 8.270 nan 0.000 0.462 238 S N -0.714 114.996 115.700 0.017 0.000 2.489 238 S HA 0.049 4.557 4.470 0.063 0.000 0.228 238 S C 1.532 176.132 174.600 -0.001 0.000 0.995 238 S CA 0.797 59.003 58.200 0.009 0.000 0.934 238 S CB 0.425 63.633 63.200 0.014 0.000 0.771 238 S HN 0.499 nan 8.310 nan 0.000 0.522 239 G N 0.956 109.741 108.800 -0.025 0.000 2.253 239 G HA2 -0.267 3.731 3.960 0.063 0.000 0.209 239 G HA3 -0.267 3.731 3.960 0.063 0.000 0.209 239 G C 0.664 175.567 174.900 0.005 0.000 0.997 239 G CA 0.433 45.533 45.100 0.000 0.000 0.640 239 G HN 0.524 nan 8.290 nan 0.000 0.496 240 E N 0.017 120.214 120.200 -0.004 0.000 2.107 240 E HA 0.109 4.497 4.350 0.063 0.000 0.191 240 E C 0.829 177.428 176.600 -0.001 0.000 0.982 240 E CA 0.436 56.837 56.400 0.002 0.000 0.809 240 E CB -0.029 29.673 29.700 0.004 0.000 0.756 240 E HN 0.601 nan 8.360 nan 0.000 0.459 241 I N 1.694 122.259 120.570 -0.009 0.000 2.359 241 I HA 0.065 4.273 4.170 0.063 0.000 0.294 241 I C 0.347 176.434 176.117 -0.050 0.000 0.987 241 I CA -0.608 60.696 61.300 0.006 0.000 1.225 241 I CB 1.611 39.658 38.000 0.078 0.000 1.366 241 I HN -0.035 nan 8.210 nan 0.000 0.466 242 D N 5.391 125.770 120.400 -0.036 0.000 2.240 242 D HA 0.137 4.815 4.640 0.063 0.000 0.206 242 D C 0.244 176.527 176.300 -0.027 0.000 0.963 242 D CA 1.392 55.333 54.000 -0.098 0.000 0.863 242 D CB 0.490 41.268 40.800 -0.036 0.000 0.973 242 D HN 0.407 nan 8.370 nan 0.000 0.501 243 M N 0.769 120.371 119.600 0.004 0.000 2.165 243 M HA 0.158 4.676 4.480 0.063 0.000 0.283 243 M C -0.219 176.056 176.300 -0.042 0.000 0.978 243 M CA -0.458 54.809 55.300 -0.055 0.000 0.948 243 M CB 2.649 35.127 32.600 -0.202 0.000 1.599 243 M HN -0.212 nan 8.290 nan 0.000 0.450 244 T N -0.522 113.971 114.554 -0.101 0.000 2.726 244 T HA 0.269 4.657 4.350 0.063 0.000 0.294 244 T C -0.168 174.505 174.700 -0.045 0.000 1.013 244 T CA -0.265 61.787 62.100 -0.079 0.000 0.996 244 T CB 0.883 69.644 68.868 -0.179 0.000 1.016 244 T HN 0.477 nan 8.240 nan 0.000 0.529 245 Y N 1.751 121.981 120.300 -0.117 0.000 2.296 245 Y HA 0.248 4.838 4.550 0.066 0.000 0.343 245 Y C 1.098 176.933 175.900 -0.108 0.000 1.292 245 Y CA -0.944 57.092 58.100 -0.107 0.000 1.490 245 Y CB 0.480 38.884 38.460 -0.093 0.000 1.359 245 Y HN 0.802 nan 8.280 nan 0.000 0.599 246 N N 2.278 120.529 118.700 -0.748 0.000 3.209 246 N HA 0.131 4.909 4.740 0.063 0.000 0.309 246 N C -1.738 173.605 175.510 -0.280 0.000 1.384 246 N CA -0.216 52.560 53.050 -0.455 0.000 1.173 246 N CB -0.714 37.508 38.487 -0.442 0.000 1.460 246 N HN 0.364 nan 8.380 nan 0.000 0.534 247 N N 0.883 119.522 118.700 -0.102 0.000 2.461 247 N HA 0.313 5.091 4.740 0.063 0.000 0.284 247 N C -0.852 174.641 175.510 -0.028 0.000 1.049 247 N CA -0.289 52.779 53.050 0.029 0.000 0.889 247 N CB 1.491 40.060 38.487 0.138 0.000 1.365 247 N HN 0.177 nan 8.380 nan 0.000 0.499 248 M N 2.416 121.961 119.600 -0.092 0.000 2.404 248 M HA 0.478 4.996 4.480 0.063 0.000 0.338 248 M C -2.294 173.948 176.300 -0.096 0.000 1.150 248 M CA -2.160 53.089 55.300 -0.086 0.000 1.016 248 M CB 1.595 34.111 32.600 -0.141 0.000 1.672 248 M HN 0.164 nan 8.290 nan 0.000 0.448 249 P HA 0.245 nan 4.420 nan 0.000 0.276 249 P C 0.630 177.917 177.300 -0.022 0.000 1.230 249 P CA -0.117 62.960 63.100 -0.038 0.000 0.776 249 P CB 0.991 32.683 31.700 -0.013 0.000 0.888 250 I N 1.779 122.316 120.570 -0.055 0.000 2.286 250 I HA -0.268 3.940 4.170 0.063 0.000 0.248 250 I C 2.072 178.188 176.117 -0.003 0.000 1.115 250 I CA 1.589 62.864 61.300 -0.043 0.000 1.392 250 I CB -0.361 37.596 38.000 -0.072 0.000 1.065 250 I HN 0.344 nan 8.210 nan 0.000 0.418 251 E N 0.611 120.807 120.200 -0.008 0.000 2.097 251 E HA -0.206 4.182 4.350 0.063 0.000 0.196 251 E C 1.937 178.545 176.600 0.013 0.000 1.000 251 E CA 1.443 57.843 56.400 -0.001 0.000 0.804 251 E CB -0.095 29.602 29.700 -0.005 0.000 0.740 251 E HN 0.468 nan 8.360 nan 0.000 0.454 252 L N -1.419 119.822 121.223 0.030 0.000 2.672 252 L HA 0.185 4.563 4.340 0.063 0.000 0.236 252 L C 1.623 178.517 176.870 0.041 0.000 1.092 252 L CA -0.310 54.544 54.840 0.024 0.000 0.887 252 L CB 0.018 42.084 42.059 0.012 0.000 1.168 252 L HN 0.065 nan 8.230 nan 0.000 0.502 253 F N 1.793 121.702 119.950 -0.070 0.000 2.091 253 F HA -0.293 4.270 4.527 0.061 0.000 0.299 253 F C 2.641 178.400 175.800 -0.068 0.000 1.103 253 F CA 1.809 59.763 58.000 -0.078 0.000 1.228 253 F CB 0.046 38.994 39.000 -0.087 0.000 0.984 253 F HN 0.081 nan 8.300 nan 0.000 0.477 254 Q N 0.656 120.456 119.800 -0.000 0.000 2.084 254 Q HA -0.207 4.171 4.340 0.063 0.000 0.202 254 Q C 2.181 178.079 176.000 -0.169 0.000 0.978 254 Q CA 1.872 57.616 55.803 -0.098 0.000 0.844 254 Q CB -0.626 28.110 28.738 -0.004 0.000 0.898 254 Q HN 0.457 nan 8.270 nan 0.000 0.426 255 K N 0.425 120.756 120.400 -0.116 0.000 2.026 255 K HA -0.074 4.284 4.320 0.063 0.000 0.208 255 K C 2.292 178.802 176.600 -0.150 0.000 1.048 255 K CA 0.946 57.171 56.287 -0.104 0.000 0.929 255 K CB -0.241 32.221 32.500 -0.063 0.000 0.713 255 K HN 0.098 nan 8.250 nan 0.000 0.439 256 L N 0.896 121.998 121.223 -0.203 0.000 2.083 256 L HA -0.201 4.177 4.340 0.063 0.000 0.209 256 L C 2.444 179.138 176.870 -0.293 0.000 1.083 256 L CA 1.046 55.747 54.840 -0.232 0.000 0.752 256 L CB -0.352 41.550 42.059 -0.262 0.000 0.899 256 L HN 0.083 nan 8.230 nan 0.000 0.433 257 K N 0.331 120.467 120.400 -0.441 0.000 2.147 257 K HA -0.148 4.210 4.320 0.063 0.000 0.205 257 K C 2.003 178.477 176.600 -0.211 0.000 1.049 257 K CA 1.349 57.408 56.287 -0.380 0.000 0.936 257 K CB 0.091 32.318 32.500 -0.456 0.000 0.722 257 K HN 0.030 nan 8.250 nan 0.000 0.446 258 K N 0.067 120.363 120.400 -0.172 0.000 2.262 258 K HA 0.021 4.379 4.320 0.063 0.000 0.200 258 K C 1.861 178.408 176.600 -0.089 0.000 1.049 258 K CA 0.946 57.167 56.287 -0.109 0.000 0.979 258 K CB 0.181 32.629 32.500 -0.087 0.000 0.773 258 K HN 0.306 nan 8.250 nan 0.000 0.474 259 E N 0.571 120.714 120.200 -0.095 0.000 2.086 259 E HA 0.035 4.423 4.350 0.063 0.000 0.190 259 E C 0.759 177.322 176.600 -0.061 0.000 0.975 259 E CA 0.624 56.984 56.400 -0.066 0.000 0.813 259 E CB 0.337 30.003 29.700 -0.057 0.000 0.768 259 E HN 0.269 nan 8.360 nan 0.000 0.457 260 I N -2.732 117.789 120.570 -0.081 0.000 2.956 260 I HA 0.296 4.504 4.170 0.063 0.000 0.311 260 I C -2.284 173.780 176.117 -0.089 0.000 1.436 260 I CA -1.656 59.605 61.300 -0.065 0.000 0.872 260 I CB 1.159 39.138 38.000 -0.036 0.000 2.099 260 I HN -0.191 nan 8.210 nan 0.000 0.624 261 P HA -0.203 nan 4.420 nan 0.000 0.216 261 P C 0.846 178.101 177.300 -0.075 0.000 1.154 261 P CA 1.655 64.699 63.100 -0.094 0.000 0.865 261 P CB 0.050 31.704 31.700 -0.076 0.000 0.789 262 N N -0.065 118.601 118.700 -0.058 0.000 2.453 262 N HA -0.098 4.680 4.740 0.063 0.000 0.183 262 N C 1.567 177.043 175.510 -0.057 0.000 1.041 262 N CA 0.885 53.906 53.050 -0.048 0.000 0.900 262 N CB -0.293 38.172 38.487 -0.037 0.000 0.961 262 N HN 0.449 nan 8.380 nan 0.000 0.443 263 E N -0.071 120.088 120.200 -0.069 0.000 2.415 263 E HA 0.091 4.479 4.350 0.063 0.000 0.197 263 E C -0.167 176.368 176.600 -0.108 0.000 1.007 263 E CA -0.014 56.340 56.400 -0.076 0.000 0.890 263 E CB 0.719 30.401 29.700 -0.030 0.000 0.891 263 E HN -0.029 nan 8.360 nan 0.000 0.496 264 V N 3.989 123.838 119.914 -0.108 0.000 2.338 264 V HA 0.100 4.258 4.120 0.063 0.000 0.255 264 V C 0.063 176.133 176.094 -0.041 0.000 1.082 264 V CA -0.166 62.072 62.300 -0.103 0.000 0.951 264 V CB -0.012 31.715 31.823 -0.160 0.000 1.102 264 V HN 0.115 nan 8.190 nan 0.000 0.489 265 R N 3.944 124.429 120.500 -0.025 0.000 2.254 265 R HA 0.581 4.959 4.340 0.063 0.000 0.318 265 R C -0.839 175.483 176.300 0.036 0.000 1.031 265 R CA -0.480 55.634 56.100 0.024 0.000 0.905 265 R CB 1.617 31.977 30.300 0.100 0.000 1.050 265 R HN 0.398 nan 8.270 nan 0.000 0.456 266 V N 4.247 124.181 119.914 0.033 0.000 2.447 266 V HA 0.325 4.483 4.120 0.063 0.000 0.292 266 V C -0.423 175.675 176.094 0.007 0.000 1.021 266 V CA -0.658 61.662 62.300 0.034 0.000 0.850 266 V CB 1.856 33.720 31.823 0.068 0.000 1.005 266 V HN 0.688 nan 8.190 nan 0.000 0.426 267 D N 4.753 125.149 120.400 -0.008 0.000 2.552 267 D HA 0.477 5.155 4.640 0.063 0.000 0.239 267 D C -2.867 173.438 176.300 0.007 0.000 1.139 267 D CA -1.461 52.525 54.000 -0.025 0.000 0.914 267 D CB 2.936 43.696 40.800 -0.067 0.000 1.461 267 D HN 0.191 nan 8.370 nan 0.000 0.462 268 P HA 0.065 nan 4.420 nan 0.000 0.267 268 P C -0.975 176.449 177.300 0.207 0.000 1.200 268 P CA 0.220 63.343 63.100 0.038 0.000 0.772 268 P CB 0.264 31.937 31.700 -0.046 0.000 0.855 269 Y N 1.819 122.208 120.300 0.148 0.000 2.441 269 Y HA 0.322 4.911 4.550 0.066 0.000 0.334 269 Y C -0.852 175.209 175.900 0.267 0.000 1.061 269 Y CA -1.267 56.930 58.100 0.163 0.000 1.032 269 Y CB 1.310 39.849 38.460 0.132 0.000 1.266 269 Y HN 0.150 nan 8.280 nan 0.000 0.441 270 L N 6.050 127.378 121.223 0.175 0.000 2.480 270 L HA 0.314 4.692 4.340 0.063 0.000 0.243 270 L C -0.854 175.946 176.870 -0.116 0.000 1.315 270 L CA 0.222 55.056 54.840 -0.011 0.000 1.231 270 L CB -0.660 41.390 42.059 -0.016 0.000 1.444 270 L HN 0.539 nan 8.230 nan 0.000 0.409 271 c N -0.628 117.881 118.600 -0.151 0.000 2.898 271 c HA 0.681 5.290 4.570 0.063 0.000 0.304 271 c C 0.317 174.569 174.090 0.269 0.000 1.237 271 c CA -0.666 55.572 56.329 -0.151 0.000 1.529 271 c CB 2.225 44.148 42.510 -0.977 0.000 2.021 271 c HN 0.432 nan 8.230 nan 0.000 0.474 272 T N 1.258 116.068 114.554 0.426 0.000 2.848 272 T HA 0.418 4.806 4.350 0.063 0.000 0.285 272 T C -1.297 173.756 174.700 0.588 0.000 0.995 272 T CA -0.181 62.225 62.100 0.509 0.000 0.970 272 T CB 0.833 69.939 68.868 0.397 0.000 0.976 272 T HN 0.542 nan 8.240 nan 0.000 0.441 273 Y N 4.779 125.154 120.300 0.125 0.000 2.313 273 Y HA 0.559 5.147 4.550 0.062 0.000 0.332 273 Y C -0.770 175.051 175.900 -0.130 0.000 1.071 273 Y CA -0.710 57.259 58.100 -0.218 0.000 1.169 273 Y CB 0.421 38.105 38.460 -1.294 0.000 1.192 273 Y HN 0.707 nan 8.280 nan 0.000 0.487 274 Y N 2.379 122.513 120.300 -0.277 0.000 2.670 274 Y HA 0.579 5.166 4.550 0.062 0.000 0.334 274 Y C -2.404 173.248 175.900 -0.413 0.000 1.185 274 Y CA -2.371 55.617 58.100 -0.187 0.000 1.053 274 Y CB 0.611 39.054 38.460 -0.028 0.000 1.298 274 Y HN 0.402 nan 8.280 nan 0.000 0.459 275 Y N 1.224 121.615 120.300 0.152 0.000 2.353 275 Y HA 0.328 4.917 4.550 0.065 0.000 0.340 275 Y C 0.216 176.194 175.900 0.129 0.000 0.972 275 Y CA -0.791 57.356 58.100 0.078 0.000 1.157 275 Y CB 1.463 40.056 38.460 0.222 0.000 1.157 275 Y HN 0.682 nan 8.280 nan 0.000 0.495 276 E N 4.561 124.808 120.200 0.078 0.000 2.223 276 E HA 0.316 4.704 4.350 0.063 0.000 0.282 276 E C -0.989 175.718 176.600 0.179 0.000 1.046 276 E CA -0.249 56.234 56.400 0.140 0.000 0.857 276 E CB 0.520 30.212 29.700 -0.014 0.000 1.055 276 E HN 0.616 nan 8.360 nan 0.000 0.409 277 I N 4.154 124.770 120.570 0.076 0.000 2.385 277 I HA 0.096 4.304 4.170 0.063 0.000 0.294 277 I C 0.330 176.360 176.117 -0.144 0.000 0.988 277 I CA -0.795 60.442 61.300 -0.106 0.000 1.265 277 I CB 1.184 39.107 38.000 -0.128 0.000 1.388 277 I HN 0.500 nan 8.210 nan 0.000 0.480 278 N N 5.606 124.035 118.700 -0.451 0.000 2.448 278 N HA 0.077 4.855 4.740 0.063 0.000 0.250 278 N C 0.513 175.884 175.510 -0.231 0.000 1.136 278 N CA 0.306 53.022 53.050 -0.557 0.000 0.953 278 N CB 0.076 37.817 38.487 -1.243 0.000 1.251 278 N HN 0.498 nan 8.380 nan 0.000 0.502 279 N N 2.032 120.692 118.700 -0.067 0.000 2.453 279 N HA -0.106 4.672 4.740 0.063 0.000 0.183 279 N C 0.272 175.783 175.510 0.001 0.000 1.041 279 N CA 0.820 53.878 53.050 0.013 0.000 0.900 279 N CB 0.330 38.872 38.487 0.092 0.000 0.961 279 N HN 0.693 nan 8.380 nan 0.000 0.443 280 Q N 0.130 119.902 119.800 -0.046 0.000 2.360 280 Q HA 0.137 4.515 4.340 0.063 0.000 0.202 280 Q C 0.182 176.137 176.000 -0.075 0.000 0.915 280 Q CA 0.335 56.102 55.803 -0.060 0.000 0.943 280 Q CB 0.626 29.309 28.738 -0.091 0.000 1.064 280 Q HN 0.071 nan 8.270 nan 0.000 0.511 281 K N 1.037 121.398 120.400 -0.066 0.000 2.323 281 K HA 0.530 4.888 4.320 0.063 0.000 0.259 281 K C -1.057 175.565 176.600 0.037 0.000 0.947 281 K CA -0.479 55.791 56.287 -0.029 0.000 0.819 281 K CB 1.380 33.840 32.500 -0.066 0.000 1.109 281 K HN 0.012 nan 8.250 nan 0.000 0.429 282 A N 4.609 127.412 122.820 -0.027 0.000 2.483 282 A HA 0.216 4.574 4.320 0.063 0.000 0.238 282 A C -1.685 175.803 177.584 -0.160 0.000 1.070 282 A CA -0.878 51.104 52.037 -0.092 0.000 0.770 282 A CB -0.059 18.898 19.000 -0.072 0.000 1.008 282 A HN 0.684 nan 8.150 nan 0.000 0.497 283 P HA 0.127 nan 4.420 nan 0.000 0.257 283 P C 0.069 177.044 177.300 -0.542 0.000 1.325 283 P CA 0.286 63.144 63.100 -0.403 0.000 0.850 283 P CB -0.059 31.456 31.700 -0.307 0.000 1.324 284 F N 1.584 121.448 119.950 -0.144 0.000 2.802 284 F HA 0.011 4.576 4.527 0.064 0.000 0.300 284 F C 1.809 177.535 175.800 -0.124 0.000 1.168 284 F CA 0.336 58.227 58.000 -0.182 0.000 1.433 284 F CB -0.933 37.916 39.000 -0.251 0.000 1.115 284 F HN 0.050 nan 8.300 nan 0.000 0.582 285 N N -0.791 117.905 118.700 -0.008 0.000 2.398 285 N HA -0.076 4.702 4.740 0.063 0.000 0.188 285 N C -0.273 175.225 175.510 -0.019 0.000 1.122 285 N CA 0.273 53.319 53.050 -0.006 0.000 0.866 285 N CB -0.352 38.123 38.487 -0.020 0.000 0.970 285 N HN 0.105 nan 8.380 nan 0.000 0.462 286 D N 0.607 120.982 120.400 -0.042 0.000 2.317 286 D HA 0.054 4.732 4.640 0.063 0.000 0.234 286 D C 0.923 177.207 176.300 -0.026 0.000 1.112 286 D CA -0.517 53.462 54.000 -0.036 0.000 0.840 286 D CB 2.103 42.876 40.800 -0.045 0.000 1.078 286 D HN -0.171 nan 8.370 nan 0.000 0.486 287 V N 5.835 125.744 119.914 -0.009 0.000 2.469 287 V HA -0.252 3.906 4.120 0.063 0.000 0.251 287 V C 2.143 178.225 176.094 -0.021 0.000 1.064 287 V CA 1.865 64.162 62.300 -0.006 0.000 1.066 287 V CB -0.186 31.644 31.823 0.011 0.000 0.667 287 V HN 0.543 nan 8.190 nan 0.000 0.461 288 R N -0.746 119.744 120.500 -0.017 0.000 2.081 288 R HA -0.119 4.259 4.340 0.063 0.000 0.235 288 R C 2.145 178.417 176.300 -0.048 0.000 1.131 288 R CA 1.679 57.768 56.100 -0.017 0.000 0.960 288 R CB -0.650 29.653 30.300 0.005 0.000 0.856 288 R HN 0.492 nan 8.270 nan 0.000 0.436 289 V N 1.281 121.154 119.914 -0.068 0.000 2.307 289 V HA -0.223 3.935 4.120 0.063 0.000 0.245 289 V C 2.307 178.315 176.094 -0.144 0.000 1.045 289 V CA 1.739 63.951 62.300 -0.146 0.000 1.024 289 V CB -0.504 31.187 31.823 -0.219 0.000 0.651 289 V HN 0.308 nan 8.190 nan 0.000 0.449 290 R N -0.069 120.380 120.500 -0.085 0.000 2.081 290 R HA -0.122 4.256 4.340 0.063 0.000 0.235 290 R C 2.364 178.606 176.300 -0.098 0.000 1.131 290 R CA 1.858 57.916 56.100 -0.071 0.000 0.960 290 R CB -0.905 29.373 30.300 -0.035 0.000 0.856 290 R HN 0.481 nan 8.270 nan 0.000 0.436 291 T N 1.259 115.755 114.554 -0.096 0.000 2.746 291 T HA -0.134 4.254 4.350 0.063 0.000 0.267 291 T C 2.036 176.655 174.700 -0.135 0.000 1.039 291 T CA 1.436 63.461 62.100 -0.126 0.000 1.142 291 T CB -0.244 68.570 68.868 -0.089 0.000 0.866 291 T HN 0.393 nan 8.240 nan 0.000 0.444 292 A N 1.334 124.088 122.820 -0.111 0.000 1.877 292 A HA -0.010 4.348 4.320 0.063 0.000 0.216 292 A C 2.322 179.826 177.584 -0.133 0.000 1.186 292 A CA 1.253 53.227 52.037 -0.105 0.000 0.620 292 A CB -0.902 18.023 19.000 -0.125 0.000 0.822 292 A HN 0.469 nan 8.150 nan 0.000 0.443 293 L N -0.638 120.453 121.223 -0.220 0.000 2.046 293 L HA -0.223 4.155 4.340 0.063 0.000 0.208 293 L C 2.680 179.621 176.870 0.118 0.000 1.077 293 L CA 2.025 56.688 54.840 -0.295 0.000 0.747 293 L CB -0.450 41.341 42.059 -0.447 0.000 0.896 293 L HN 0.496 nan 8.230 nan 0.000 0.432 294 K N 0.648 121.056 120.400 0.013 0.000 2.026 294 K HA -0.180 4.179 4.320 0.063 0.000 0.208 294 K C 2.122 178.657 176.600 -0.108 0.000 1.048 294 K CA 1.386 57.661 56.287 -0.020 0.000 0.929 294 K CB -0.062 32.312 32.500 -0.210 0.000 0.713 294 K HN 0.244 nan 8.250 nan 0.000 0.439 295 L N 0.176 121.287 121.223 -0.187 0.000 2.156 295 L HA -0.049 4.329 4.340 0.063 0.000 0.208 295 L C 2.508 179.426 176.870 0.081 0.000 1.095 295 L CA 0.903 55.654 54.840 -0.149 0.000 0.770 295 L CB -0.362 41.632 42.059 -0.108 0.000 0.914 295 L HN 0.260 nan 8.230 nan 0.000 0.439 296 A N -0.168 122.747 122.820 0.158 0.000 2.119 296 A HA -0.016 4.342 4.320 0.063 0.000 0.216 296 A C 1.239 179.014 177.584 0.318 0.000 1.152 296 A CA 0.088 52.272 52.037 0.245 0.000 0.708 296 A CB -0.352 18.797 19.000 0.247 0.000 0.805 296 A HN 0.296 nan 8.150 nan 0.000 0.460 297 L N 0.921 122.368 121.223 0.373 0.000 2.462 297 L HA 0.092 4.470 4.340 0.063 0.000 0.272 297 L C -0.532 176.412 176.870 0.124 0.000 1.166 297 L CA -0.280 54.650 54.840 0.150 0.000 0.880 297 L CB 0.453 42.600 42.059 0.147 0.000 1.142 297 L HN 0.132 nan 8.230 nan 0.000 0.473 298 D N 4.857 125.294 120.400 0.063 0.000 2.441 298 D HA 0.127 4.805 4.640 0.063 0.000 0.221 298 D C 1.075 177.418 176.300 0.072 0.000 1.156 298 D CA -0.162 53.885 54.000 0.079 0.000 0.896 298 D CB 0.804 41.634 40.800 0.050 0.000 1.028 298 D HN 0.551 nan 8.370 nan 0.000 0.509 299 R N 2.200 122.776 120.500 0.127 0.000 2.120 299 R HA -0.138 4.240 4.340 0.063 0.000 0.234 299 R C 1.456 177.803 176.300 0.079 0.000 1.123 299 R CA 1.378 57.558 56.100 0.134 0.000 0.975 299 R CB 0.037 30.478 30.300 0.236 0.000 0.866 299 R HN 0.406 nan 8.270 nan 0.000 0.446 300 D N 0.620 121.053 120.400 0.056 0.000 2.117 300 D HA -0.125 4.553 4.640 0.063 0.000 0.197 300 D C 1.700 178.003 176.300 0.005 0.000 0.987 300 D CA 1.095 55.109 54.000 0.023 0.000 0.829 300 D CB 0.075 40.880 40.800 0.009 0.000 0.961 300 D HN 0.141 nan 8.370 nan 0.000 0.460 301 I N 0.140 120.713 120.570 0.005 0.000 2.142 301 I HA -0.227 3.981 4.170 0.063 0.000 0.240 301 I C 2.357 178.455 176.117 -0.032 0.000 1.078 301 I CA 0.806 62.098 61.300 -0.014 0.000 1.343 301 I CB -0.252 37.740 38.000 -0.013 0.000 1.046 301 I HN 0.144 nan 8.210 nan 0.000 0.405 302 I N -0.003 120.551 120.570 -0.026 0.000 2.142 302 I HA -0.275 3.933 4.170 0.063 0.000 0.240 302 I C 2.507 178.575 176.117 -0.082 0.000 1.078 302 I CA 1.408 62.681 61.300 -0.046 0.000 1.343 302 I CB -0.344 37.650 38.000 -0.010 0.000 1.046 302 I HN 0.020 nan 8.210 nan 0.000 0.405 303 V N 1.192 121.068 119.914 -0.063 0.000 2.270 303 V HA -0.251 3.907 4.120 0.063 0.000 0.245 303 V C 1.614 177.628 176.094 -0.134 0.000 1.043 303 V CA 2.512 64.729 62.300 -0.139 0.000 1.014 303 V CB -0.873 30.911 31.823 -0.066 0.000 0.645 303 V HN 0.498 nan 8.190 nan 0.000 0.447 304 N N -1.001 117.657 118.700 -0.071 0.000 2.356 304 N HA 0.048 4.826 4.740 0.063 0.000 0.178 304 N C 1.589 177.068 175.510 -0.052 0.000 1.075 304 N CA 0.204 53.218 53.050 -0.059 0.000 0.889 304 N CB 0.230 38.700 38.487 -0.029 0.000 0.999 304 N HN 0.434 nan 8.380 nan 0.000 0.464 305 K N 0.351 120.720 120.400 -0.051 0.000 2.216 305 K HA 0.109 4.467 4.320 0.063 0.000 0.207 305 K C 2.014 178.581 176.600 -0.055 0.000 1.041 305 K CA 0.642 56.904 56.287 -0.043 0.000 0.966 305 K CB -0.124 32.358 32.500 -0.031 0.000 0.955 305 K HN 0.022 nan 8.250 nan 0.000 0.468 306 V N 1.099 120.971 119.914 -0.069 0.000 2.649 306 V HA -0.069 4.089 4.120 0.063 0.000 0.248 306 V C 1.982 178.013 176.094 -0.106 0.000 1.054 306 V CA 1.704 63.958 62.300 -0.078 0.000 1.073 306 V CB 0.108 31.886 31.823 -0.076 0.000 0.699 306 V HN 0.167 nan 8.190 nan 0.000 0.463 307 K N 0.985 121.296 120.400 -0.149 0.000 2.214 307 K HA 0.162 4.520 4.320 0.063 0.000 0.210 307 K C 1.166 177.649 176.600 -0.195 0.000 1.036 307 K CA 0.988 57.146 56.287 -0.215 0.000 0.958 307 K CB -0.270 32.028 32.500 -0.336 0.000 0.973 307 K HN 0.525 nan 8.250 nan 0.000 0.466 308 N N 0.887 119.476 118.700 -0.185 0.000 2.688 308 N HA -0.212 4.566 4.740 0.063 0.000 0.258 308 N C -0.727 174.714 175.510 -0.116 0.000 1.016 308 N CA 0.482 53.459 53.050 -0.122 0.000 0.747 308 N CB -0.537 37.922 38.487 -0.046 0.000 0.895 308 N HN 0.534 nan 8.380 nan 0.000 0.543 309 Q N -0.617 119.024 119.800 -0.265 0.000 2.171 309 Q HA 0.235 4.613 4.340 0.063 0.000 0.218 309 Q C 1.331 177.212 176.000 -0.198 0.000 0.822 309 Q CA 0.477 56.056 55.803 -0.373 0.000 0.987 309 Q CB 0.925 29.151 28.738 -0.852 0.000 1.144 309 Q HN 0.619 nan 8.270 nan 0.000 0.494 310 G N 0.918 109.634 108.800 -0.140 0.000 2.184 310 G HA2 -0.163 3.836 3.960 0.063 0.000 0.206 310 G HA3 -0.163 3.836 3.960 0.063 0.000 0.206 310 G C -0.220 174.624 174.900 -0.094 0.000 0.995 310 G CA -0.340 44.714 45.100 -0.076 0.000 0.651 310 G HN 0.284 nan 8.290 nan 0.000 0.511 311 D N 0.174 120.447 120.400 -0.211 0.000 2.361 311 D HA 0.449 5.127 4.640 0.063 0.000 0.239 311 D C 0.180 176.450 176.300 -0.051 0.000 1.200 311 D CA 0.296 54.178 54.000 -0.196 0.000 0.915 311 D CB 1.423 41.806 40.800 -0.695 0.000 1.170 311 D HN 0.114 nan 8.370 nan 0.000 0.444 312 L N 1.647 122.942 121.223 0.120 0.000 2.346 312 L HA 0.310 4.689 4.340 0.063 0.000 0.276 312 L C -2.347 174.627 176.870 0.174 0.000 1.006 312 L CA -1.812 53.147 54.840 0.198 0.000 0.817 312 L CB 1.636 43.904 42.059 0.348 0.000 1.272 312 L HN 0.066 nan 8.230 nan 0.000 0.421 313 P HA 0.124 nan 4.420 nan 0.000 0.264 313 P C -1.081 176.261 177.300 0.069 0.000 1.183 313 P CA -0.037 63.202 63.100 0.231 0.000 0.763 313 P CB 0.563 32.498 31.700 0.391 0.000 0.807 314 A N 3.393 126.082 122.820 -0.219 0.000 2.324 314 A HA 0.575 4.933 4.320 0.063 0.000 0.330 314 A C -0.436 176.989 177.584 -0.265 0.000 1.165 314 A CA -0.409 51.185 52.037 -0.738 0.000 0.813 314 A CB 0.400 18.779 19.000 -1.035 0.000 1.197 314 A HN 0.692 nan 8.150 nan 0.000 0.484 315 Y N 0.187 120.299 120.300 -0.313 0.000 2.672 315 Y HA 0.484 5.072 4.550 0.064 0.000 0.252 315 Y C 0.253 176.122 175.900 -0.052 0.000 1.132 315 Y CA -0.168 57.749 58.100 -0.305 0.000 1.228 315 Y CB -0.429 37.359 38.460 -1.120 0.000 1.310 315 Y HN 0.679 nan 8.280 nan 0.000 0.549 316 S N -1.827 113.733 115.700 -0.233 0.000 2.705 316 S HA 0.352 4.860 4.470 0.063 0.000 0.280 316 S C -0.356 174.239 174.600 -0.009 0.000 1.174 316 S CA -0.521 57.630 58.200 -0.080 0.000 0.823 316 S CB 1.377 64.448 63.200 -0.216 0.000 1.162 316 S HN 0.107 nan 8.310 nan 0.000 0.487 317 Y N 1.888 122.079 120.300 -0.182 0.000 2.205 317 Y HA 0.298 4.887 4.550 0.066 0.000 0.292 317 Y C 1.154 176.845 175.900 -0.348 0.000 1.119 317 Y CA 1.175 59.145 58.100 -0.216 0.000 1.117 317 Y CB -0.830 37.494 38.460 -0.226 0.000 1.037 317 Y HN 0.722 nan 8.280 nan 0.000 0.510 318 T N 5.241 119.501 114.554 -0.490 0.000 2.853 318 T HA 0.142 4.530 4.350 0.063 0.000 0.298 318 T C -2.582 171.558 174.700 -0.933 0.000 0.978 318 T CA -0.904 60.579 62.100 -1.029 0.000 1.152 318 T CB 0.737 69.240 68.868 -0.608 0.000 0.914 318 T HN 0.083 nan 8.240 nan 0.000 0.539 319 P HA 0.133 nan 4.420 nan 0.000 0.268 319 P C -1.786 174.838 177.300 -1.128 0.000 1.205 319 P CA -1.493 60.834 63.100 -1.288 0.000 0.771 319 P CB 0.200 31.063 31.700 -1.395 0.000 0.858 320 P HA -0.103 nan 4.420 nan 0.000 0.230 320 P C 0.429 177.553 177.300 -0.293 0.000 1.158 320 P CA 1.308 64.115 63.100 -0.488 0.000 0.769 320 P CB -0.358 31.177 31.700 -0.275 0.000 0.807 321 Y N -2.587 117.532 120.300 -0.303 0.000 2.524 321 Y HA 0.409 4.995 4.550 0.061 0.000 0.266 321 Y C 0.449 176.251 175.900 -0.162 0.000 1.180 321 Y CA -0.933 57.058 58.100 -0.181 0.000 1.244 321 Y CB -1.527 36.847 38.460 -0.143 0.000 1.125 321 Y HN -0.339 nan 8.280 nan 0.000 0.524 322 T N 2.295 116.603 114.554 -0.410 0.000 2.930 322 T HA -0.080 4.308 4.350 0.063 0.000 0.306 322 T C -0.175 174.437 174.700 -0.147 0.000 1.045 322 T CA -0.145 61.776 62.100 -0.299 0.000 1.134 322 T CB 0.316 68.927 68.868 -0.428 0.000 0.961 322 T HN 0.282 nan 8.240 nan 0.000 0.545 323 D N 1.296 121.649 120.400 -0.079 0.000 2.451 323 D HA 0.207 4.885 4.640 0.063 0.000 0.254 323 D C 1.286 177.565 176.300 -0.036 0.000 1.204 323 D CA 1.367 55.352 54.000 -0.024 0.000 0.896 323 D CB -0.170 40.638 40.800 0.013 0.000 1.136 323 D HN 0.857 nan 8.370 nan 0.000 0.499 324 G N 2.496 111.295 108.800 -0.001 0.000 2.179 324 G HA2 -0.110 3.888 3.960 0.063 0.000 0.220 324 G HA3 -0.110 3.888 3.960 0.063 0.000 0.220 324 G C 0.307 175.237 174.900 0.049 0.000 0.990 324 G CA 0.172 45.299 45.100 0.044 0.000 0.646 324 G HN 0.905 nan 8.290 nan 0.000 0.517 325 A N 0.254 123.052 122.820 -0.035 0.000 2.289 325 A HA 0.751 5.109 4.320 0.063 0.000 0.298 325 A C 0.365 177.935 177.584 -0.023 0.000 1.208 325 A CA 0.059 52.063 52.037 -0.056 0.000 0.845 325 A CB 0.511 19.400 19.000 -0.186 0.000 1.125 325 A HN 0.319 nan 8.150 nan 0.000 0.517 326 K N 3.455 123.860 120.400 0.009 0.000 2.920 326 K HA 0.335 4.693 4.320 0.063 0.000 0.175 326 K C -1.063 175.546 176.600 0.016 0.000 1.099 326 K CA -0.004 56.289 56.287 0.011 0.000 0.939 326 K CB 0.768 33.278 32.500 0.017 0.000 1.148 326 K HN 0.702 nan 8.250 nan 0.000 0.613 327 L N 1.162 122.394 121.223 0.015 0.000 2.395 327 L HA 0.367 4.745 4.340 0.063 0.000 0.269 327 L C 0.232 177.120 176.870 0.031 0.000 1.133 327 L CA -1.052 53.813 54.840 0.043 0.000 0.812 327 L CB 1.142 43.245 42.059 0.073 0.000 1.125 327 L HN 0.006 nan 8.230 nan 0.000 0.452 328 V N 1.962 121.884 119.914 0.013 0.000 2.348 328 V HA 0.091 4.249 4.120 0.063 0.000 0.270 328 V C 0.397 176.396 176.094 -0.158 0.000 1.037 328 V CA -0.506 61.762 62.300 -0.054 0.000 0.872 328 V CB 1.138 32.941 31.823 -0.033 0.000 1.002 328 V HN 0.725 nan 8.190 nan 0.000 0.464 329 E N 8.384 128.372 120.200 -0.353 0.000 2.328 329 E HA 0.149 4.537 4.350 0.063 0.000 0.265 329 E C -2.080 174.210 176.600 -0.516 0.000 1.057 329 E CA -1.412 54.512 56.400 -0.793 0.000 0.916 329 E CB 0.880 30.071 29.700 -0.848 0.000 0.993 329 E HN 0.460 nan 8.360 nan 0.000 0.446 330 P HA -0.032 nan 4.420 nan 0.000 0.269 330 P C 0.203 177.198 177.300 -0.508 0.000 1.215 330 P CA -0.054 62.769 63.100 -0.462 0.000 0.780 330 P CB 0.847 32.222 31.700 -0.542 0.000 0.898 331 E N 1.584 121.600 120.200 -0.307 0.000 2.153 331 E HA -0.138 4.250 4.350 0.063 0.000 0.194 331 E C 1.904 178.120 176.600 -0.640 0.000 0.988 331 E CA 1.269 57.522 56.400 -0.244 0.000 0.811 331 E CB -0.503 29.216 29.700 0.032 0.000 0.746 331 E HN 0.712 nan 8.360 nan 0.000 0.466 332 W N -0.094 120.652 121.300 -0.924 0.000 2.364 332 W HA -0.176 4.522 4.660 0.064 0.000 0.281 332 W C 1.634 177.801 176.519 -0.587 0.000 1.219 332 W CA 0.294 56.757 57.345 -1.470 0.000 1.220 332 W CB -1.150 27.701 29.460 -1.014 0.000 1.127 332 W HN -0.049 nan 8.180 nan 0.000 0.556 333 F N 2.858 122.266 119.950 -0.903 0.000 2.325 333 F HA -0.003 4.562 4.527 0.064 0.000 0.299 333 F C 2.155 177.817 175.800 -0.231 0.000 1.090 333 F CA 1.571 59.184 58.000 -0.645 0.000 1.392 333 F CB -0.184 38.248 39.000 -0.946 0.000 1.053 333 F HN -0.226 nan 8.300 nan 0.000 0.521 334 K N -1.078 119.207 120.400 -0.193 0.000 2.356 334 K HA -0.042 4.316 4.320 0.063 0.000 0.195 334 K C 0.325 176.999 176.600 0.124 0.000 1.037 334 K CA -0.123 56.121 56.287 -0.072 0.000 1.014 334 K CB -0.118 32.384 32.500 0.004 0.000 0.815 334 K HN 0.056 nan 8.250 nan 0.000 0.507 335 W N 2.567 123.873 121.300 0.011 0.000 1.900 335 W HA 0.015 4.713 4.660 0.064 0.000 0.357 335 W C 1.247 177.777 176.519 0.018 0.000 1.390 335 W CA -1.131 56.241 57.345 0.045 0.000 1.428 335 W CB -0.495 29.033 29.460 0.113 0.000 1.295 335 W HN -0.071 nan 8.180 nan 0.000 0.666 336 S N -0.137 115.730 115.700 0.279 0.000 2.652 336 S HA 0.130 4.638 4.470 0.063 0.000 0.270 336 S C 0.691 175.405 174.600 0.190 0.000 1.243 336 S CA -0.485 57.807 58.200 0.154 0.000 0.999 336 S CB 1.606 64.856 63.200 0.084 0.000 0.973 336 S HN 0.385 nan 8.310 nan 0.000 0.544 337 Q N 0.528 120.408 119.800 0.133 0.000 2.170 337 Q HA -0.146 4.232 4.340 0.063 0.000 0.203 337 Q C 2.181 178.264 176.000 0.138 0.000 0.976 337 Q CA 1.897 57.788 55.803 0.146 0.000 0.858 337 Q CB -0.515 28.285 28.738 0.102 0.000 0.907 337 Q HN 0.893 nan 8.270 nan 0.000 0.433 338 Q N 0.004 119.864 119.800 0.099 0.000 2.061 338 Q HA -0.247 4.131 4.340 0.063 0.000 0.204 338 Q C 1.951 177.995 176.000 0.074 0.000 0.984 338 Q CA 1.914 57.760 55.803 0.072 0.000 0.846 338 Q CB -0.152 28.611 28.738 0.041 0.000 0.902 338 Q HN 0.364 nan 8.270 nan 0.000 0.421 339 K N -0.041 120.406 120.400 0.078 0.000 2.097 339 K HA -0.142 4.216 4.320 0.063 0.000 0.205 339 K C 2.163 178.872 176.600 0.183 0.000 1.050 339 K CA 1.030 57.332 56.287 0.025 0.000 0.938 339 K CB 0.035 32.464 32.500 -0.118 0.000 0.718 339 K HN 0.144 nan 8.250 nan 0.000 0.442 340 R N 0.355 121.070 120.500 0.360 0.000 2.081 340 R HA -0.078 4.300 4.340 0.063 0.000 0.235 340 R C 2.069 178.504 176.300 0.226 0.000 1.131 340 R CA 1.538 57.883 56.100 0.408 0.000 0.960 340 R CB -0.323 30.184 30.300 0.346 0.000 0.856 340 R HN 0.267 nan 8.270 nan 0.000 0.436 341 N N 0.940 119.737 118.700 0.163 0.000 2.069 341 N HA -0.174 4.604 4.740 0.063 0.000 0.191 341 N C 1.553 177.116 175.510 0.087 0.000 1.031 341 N CA 1.404 54.523 53.050 0.115 0.000 0.852 341 N CB -0.214 38.330 38.487 0.095 0.000 1.018 341 N HN 0.367 nan 8.380 nan 0.000 0.423 342 E N 0.410 120.652 120.200 0.071 0.000 2.051 342 E HA -0.211 4.177 4.350 0.063 0.000 0.192 342 E C 1.778 178.409 176.600 0.051 0.000 0.991 342 E CA 1.060 57.485 56.400 0.041 0.000 0.799 342 E CB -0.057 29.648 29.700 0.008 0.000 0.748 342 E HN 0.345 nan 8.360 nan 0.000 0.449 343 E N 1.112 121.363 120.200 0.085 0.000 2.058 343 E HA -0.203 4.185 4.350 0.063 0.000 0.194 343 E C 1.867 178.521 176.600 0.089 0.000 0.997 343 E CA 1.504 57.972 56.400 0.113 0.000 0.801 343 E CB -0.239 29.612 29.700 0.253 0.000 0.746 343 E HN 0.237 nan 8.360 nan 0.000 0.450 344 A N 0.871 123.741 122.820 0.083 0.000 1.865 344 A HA -0.247 4.111 4.320 0.063 0.000 0.217 344 A C 2.118 179.715 177.584 0.021 0.000 1.191 344 A CA 2.062 54.121 52.037 0.037 0.000 0.623 344 A CB -0.555 18.468 19.000 0.039 0.000 0.826 344 A HN 0.248 nan 8.150 nan 0.000 0.444 345 K N -0.377 120.042 120.400 0.033 0.000 2.032 345 K HA -0.197 4.161 4.320 0.063 0.000 0.209 345 K C 2.263 178.882 176.600 0.031 0.000 1.048 345 K CA 1.688 57.991 56.287 0.028 0.000 0.927 345 K CB -0.210 32.309 32.500 0.032 0.000 0.712 345 K HN 0.542 nan 8.250 nan 0.000 0.441 346 K N 1.465 121.885 120.400 0.033 0.000 2.044 346 K HA -0.175 4.183 4.320 0.063 0.000 0.210 346 K C 2.089 178.710 176.600 0.034 0.000 1.049 346 K CA 1.351 57.657 56.287 0.032 0.000 0.927 346 K CB -0.141 32.377 32.500 0.031 0.000 0.713 346 K HN 0.060 nan 8.250 nan 0.000 0.443 347 L N 0.909 122.152 121.223 0.034 0.000 2.046 347 L HA -0.183 4.196 4.340 0.063 0.000 0.208 347 L C 2.492 179.386 176.870 0.041 0.000 1.077 347 L CA 0.932 55.789 54.840 0.030 0.000 0.747 347 L CB -0.343 41.727 42.059 0.017 0.000 0.896 347 L HN 0.252 nan 8.230 nan 0.000 0.432 348 L N -0.577 120.670 121.223 0.040 0.000 2.156 348 L HA -0.145 4.233 4.340 0.063 0.000 0.208 348 L C 2.834 179.802 176.870 0.162 0.000 1.095 348 L CA 0.996 55.892 54.840 0.094 0.000 0.770 348 L CB -0.602 41.462 42.059 0.007 0.000 0.914 348 L HN 0.261 nan 8.230 nan 0.000 0.439 349 A N -0.010 122.864 122.820 0.090 0.000 1.898 349 A HA -0.211 4.148 4.320 0.063 0.000 0.216 349 A C 2.078 179.688 177.584 0.043 0.000 1.181 349 A CA 1.425 53.504 52.037 0.069 0.000 0.620 349 A CB -0.357 18.669 19.000 0.043 0.000 0.819 349 A HN 0.415 nan 8.150 nan 0.000 0.442 350 E N -0.225 119.998 120.200 0.037 0.000 2.110 350 E HA -0.101 4.288 4.350 0.063 0.000 0.193 350 E C 1.971 178.577 176.600 0.010 0.000 0.988 350 E CA 0.928 57.339 56.400 0.018 0.000 0.804 350 E CB -0.245 29.466 29.700 0.019 0.000 0.745 350 E HN 0.612 nan 8.360 nan 0.000 0.458 351 A N 0.020 122.869 122.820 0.048 0.000 2.235 351 A HA 0.196 4.554 4.320 0.063 0.000 0.208 351 A C 1.653 179.167 177.584 -0.116 0.000 1.172 351 A CA 0.909 52.970 52.037 0.039 0.000 0.786 351 A CB -0.292 18.820 19.000 0.188 0.000 0.804 351 A HN 0.352 nan 8.150 nan 0.000 0.479 352 G N -2.391 106.327 108.800 -0.137 0.000 2.144 352 G HA2 -0.201 3.797 3.960 0.063 0.000 0.218 352 G HA3 -0.201 3.797 3.960 0.063 0.000 0.218 352 G C -0.117 174.533 174.900 -0.417 0.000 0.988 352 G CA -0.091 44.835 45.100 -0.290 0.000 0.659 352 G HN 0.307 nan 8.290 nan 0.000 0.522 353 F N 1.756 121.679 119.950 -0.044 0.000 2.399 353 F HA 0.685 5.250 4.527 0.064 0.000 0.334 353 F C 1.062 176.846 175.800 -0.026 0.000 1.097 353 F CA 0.409 58.386 58.000 -0.038 0.000 1.076 353 F CB 1.917 40.891 39.000 -0.043 0.000 1.162 353 F HN 0.235 nan 8.300 nan 0.000 0.495 354 T N -1.228 113.414 114.554 0.147 0.000 2.831 354 T HA 0.656 5.044 4.350 0.063 0.000 0.287 354 T C 0.750 175.497 174.700 0.079 0.000 1.070 354 T CA -0.341 61.806 62.100 0.079 0.000 1.010 354 T CB 1.432 70.317 68.868 0.028 0.000 1.264 354 T HN 0.556 nan 8.240 nan 0.000 0.532 355 A N 0.287 123.136 122.820 0.049 0.000 1.933 355 A HA -0.050 4.309 4.320 0.063 0.000 0.218 355 A C 1.932 179.539 177.584 0.038 0.000 1.175 355 A CA 2.267 54.328 52.037 0.040 0.000 0.628 355 A CB -1.294 17.722 19.000 0.027 0.000 0.814 355 A HN 0.941 nan 8.150 nan 0.000 0.444 356 D N -0.765 119.654 120.400 0.031 0.000 2.183 356 D HA -0.035 4.643 4.640 0.063 0.000 0.203 356 D C 0.533 176.852 176.300 0.032 0.000 0.969 356 D CA 0.962 54.976 54.000 0.024 0.000 0.842 356 D CB 0.015 40.822 40.800 0.011 0.000 0.957 356 D HN 0.358 nan 8.370 nan 0.000 0.484 357 K N 0.935 121.363 120.400 0.047 0.000 2.753 357 K HA 0.265 4.623 4.320 0.063 0.000 0.185 357 K C -2.564 174.140 176.600 0.173 0.000 1.071 357 K CA -1.476 54.851 56.287 0.067 0.000 0.999 357 K CB 2.367 34.871 32.500 0.008 0.000 1.244 357 K HN 0.171 nan 8.250 nan 0.000 0.594 358 P HA 0.118 nan 4.420 nan 0.000 0.279 358 P C -0.633 176.789 177.300 0.203 0.000 1.282 358 P CA -0.837 62.371 63.100 0.179 0.000 0.788 358 P CB 0.757 32.499 31.700 0.069 0.000 1.139 359 L N 0.373 121.557 121.223 -0.065 0.000 2.265 359 L HA 0.459 4.837 4.340 0.063 0.000 0.288 359 L C -0.661 176.177 176.870 -0.054 0.000 1.058 359 L CA 0.629 55.301 54.840 -0.280 0.000 0.809 359 L CB 0.115 41.694 42.059 -0.801 0.000 1.179 359 L HN 0.270 nan 8.230 nan 0.000 0.429 360 T N 6.622 121.211 114.554 0.058 0.000 2.881 360 T HA 0.747 5.135 4.350 0.063 0.000 0.290 360 T C -0.949 173.861 174.700 0.183 0.000 1.000 360 T CA -0.137 61.972 62.100 0.015 0.000 0.978 360 T CB 0.896 69.774 68.868 0.016 0.000 0.997 360 T HN 0.498 nan 8.240 nan 0.000 0.443 361 F N -0.572 119.427 119.950 0.082 0.000 2.779 361 F HA 0.678 5.243 4.527 0.063 0.000 0.316 361 F C -1.301 174.576 175.800 0.129 0.000 1.164 361 F CA -1.387 56.703 58.000 0.150 0.000 0.924 361 F CB 0.735 39.928 39.000 0.322 0.000 1.348 361 F HN 0.229 nan 8.300 nan 0.000 0.467 362 D N 1.705 122.331 120.400 0.378 0.000 2.264 362 D HA 0.380 5.058 4.640 0.063 0.000 0.249 362 D C -0.983 175.529 176.300 0.353 0.000 1.070 362 D CA 0.009 54.165 54.000 0.260 0.000 0.912 362 D CB 2.428 43.362 40.800 0.223 0.000 1.193 362 D HN 0.688 nan 8.370 nan 0.000 0.427 363 L N 2.896 124.280 121.223 0.268 0.000 2.353 363 L HA 0.274 4.652 4.340 0.063 0.000 0.270 363 L C -1.302 175.765 176.870 0.329 0.000 1.003 363 L CA -0.875 54.160 54.840 0.326 0.000 0.862 363 L CB 0.996 43.219 42.059 0.273 0.000 1.221 363 L HN 0.163 nan 8.230 nan 0.000 0.430 364 L N 6.134 127.547 121.223 0.316 0.000 2.292 364 L HA 0.540 4.918 4.340 0.063 0.000 0.284 364 L C -0.976 176.109 176.870 0.358 0.000 1.065 364 L CA 0.124 55.120 54.840 0.260 0.000 0.806 364 L CB 0.985 43.159 42.059 0.192 0.000 1.175 364 L HN 0.525 nan 8.230 nan 0.000 0.431 365 Y N 2.677 123.046 120.300 0.115 0.000 2.597 365 Y HA 0.552 5.140 4.550 0.063 0.000 0.340 365 Y C -0.944 174.695 175.900 -0.434 0.000 1.097 365 Y CA -1.542 56.492 58.100 -0.111 0.000 1.037 365 Y CB 0.782 39.249 38.460 0.011 0.000 1.305 365 Y HN 0.723 nan 8.280 nan 0.000 0.463 366 N N 0.956 119.125 118.700 -0.885 0.000 2.488 366 N HA 0.090 4.868 4.740 0.063 0.000 0.274 366 N C -0.643 174.817 175.510 -0.083 0.000 1.111 366 N CA -0.261 52.378 53.050 -0.685 0.000 0.974 366 N CB 1.237 39.284 38.487 -0.733 0.000 1.089 366 N HN 0.803 nan 8.380 nan 0.000 0.465 367 T N 1.478 115.968 114.554 -0.106 0.000 2.656 367 T HA 0.023 4.411 4.350 0.063 0.000 0.258 367 T C 0.259 175.039 174.700 0.133 0.000 1.020 367 T CA 0.708 62.828 62.100 0.034 0.000 1.191 367 T CB -0.518 68.346 68.868 -0.006 0.000 1.004 367 T HN 0.732 nan 8.240 nan 0.000 0.498 368 S N 2.069 117.902 115.700 0.221 0.000 2.606 368 S HA 0.173 4.681 4.470 0.063 0.000 0.290 368 S C 0.344 174.973 174.600 0.049 0.000 1.103 368 S CA -0.863 57.392 58.200 0.091 0.000 0.870 368 S CB 1.333 64.555 63.200 0.036 0.000 1.077 368 S HN 0.579 nan 8.310 nan 0.000 0.448 369 D N 1.711 122.097 120.400 -0.024 0.000 2.084 369 D HA -0.090 4.588 4.640 0.063 0.000 0.196 369 D C 1.919 178.161 176.300 -0.096 0.000 0.985 369 D CA 1.491 55.468 54.000 -0.039 0.000 0.826 369 D CB 0.010 40.785 40.800 -0.042 0.000 0.978 369 D HN 0.446 nan 8.370 nan 0.000 0.456 370 L N 1.450 122.573 121.223 -0.166 0.000 1.989 370 L HA -0.199 4.179 4.340 0.063 0.000 0.211 370 L C 2.236 178.993 176.870 -0.189 0.000 1.071 370 L CA 1.899 56.610 54.840 -0.214 0.000 0.749 370 L CB -0.830 41.051 42.059 -0.297 0.000 0.890 370 L HN 0.111 nan 8.230 nan 0.000 0.431 371 H N -0.264 118.807 119.070 0.002 0.000 2.423 371 H HA -0.124 4.470 4.556 0.063 0.000 0.297 371 H C 2.173 177.262 175.328 -0.397 0.000 1.075 371 H CA 1.484 57.505 56.048 -0.046 0.000 1.342 371 H CB -0.235 29.569 29.762 0.071 0.000 1.395 371 H HN 0.468 nan 8.280 nan 0.000 0.530 372 K N 1.644 121.815 120.400 -0.383 0.000 2.026 372 K HA -0.134 4.224 4.320 0.063 0.000 0.208 372 K C 1.988 178.427 176.600 -0.269 0.000 1.048 372 K CA 1.209 57.164 56.287 -0.553 0.000 0.929 372 K CB 0.130 32.535 32.500 -0.157 0.000 0.713 372 K HN 0.123 nan 8.250 nan 0.000 0.439 373 K N 0.586 120.895 120.400 -0.153 0.000 2.057 373 K HA -0.124 4.234 4.320 0.063 0.000 0.207 373 K C 2.216 178.755 176.600 -0.102 0.000 1.049 373 K CA 1.590 57.812 56.287 -0.107 0.000 0.931 373 K CB -0.190 32.257 32.500 -0.087 0.000 0.714 373 K HN 0.187 nan 8.250 nan 0.000 0.440 374 L N 0.368 121.542 121.223 -0.082 0.000 2.083 374 L HA -0.167 4.211 4.340 0.063 0.000 0.209 374 L C 2.587 179.440 176.870 -0.029 0.000 1.083 374 L CA 1.117 55.935 54.840 -0.037 0.000 0.752 374 L CB -0.591 41.477 42.059 0.017 0.000 0.899 374 L HN 0.182 nan 8.230 nan 0.000 0.433 375 A N 0.294 123.070 122.820 -0.074 0.000 1.930 375 A HA -0.136 4.222 4.320 0.063 0.000 0.217 375 A C 2.242 179.745 177.584 -0.135 0.000 1.175 375 A CA 1.348 53.323 52.037 -0.105 0.000 0.627 375 A CB -0.599 18.294 19.000 -0.177 0.000 0.815 375 A HN 0.337 nan 8.150 nan 0.000 0.443 376 I N -0.216 120.278 120.570 -0.126 0.000 2.226 376 I HA -0.282 3.926 4.170 0.063 0.000 0.245 376 I C 2.955 179.014 176.117 -0.097 0.000 1.100 376 I CA 1.079 62.326 61.300 -0.088 0.000 1.374 376 I CB -0.292 37.667 38.000 -0.069 0.000 1.057 376 I HN 0.354 nan 8.210 nan 0.000 0.413 377 A N 0.207 122.964 122.820 -0.105 0.000 1.933 377 A HA -0.138 4.221 4.320 0.063 0.000 0.218 377 A C 2.427 179.911 177.584 -0.167 0.000 1.175 377 A CA 1.589 53.561 52.037 -0.108 0.000 0.628 377 A CB -0.880 18.063 19.000 -0.095 0.000 0.814 377 A HN 0.243 nan 8.150 nan 0.000 0.444 378 V N -0.226 119.539 119.914 -0.249 0.000 2.358 378 V HA -0.217 3.941 4.120 0.063 0.000 0.246 378 V C 3.048 178.874 176.094 -0.446 0.000 1.047 378 V CA 1.777 63.779 62.300 -0.498 0.000 1.035 378 V CB -1.111 30.262 31.823 -0.750 0.000 0.658 378 V HN 0.616 nan 8.190 nan 0.000 0.452 379 A N -0.465 122.214 122.820 -0.235 0.000 1.908 379 A HA -0.263 4.096 4.320 0.063 0.000 0.218 379 A C 2.584 180.159 177.584 -0.015 0.000 1.181 379 A CA 2.433 54.430 52.037 -0.066 0.000 0.627 379 A CB -0.819 18.148 19.000 -0.054 0.000 0.818 379 A HN 0.523 nan 8.150 nan 0.000 0.445 380 S N -0.619 115.053 115.700 -0.048 0.000 2.383 380 S HA -0.077 4.431 4.470 0.063 0.000 0.227 380 S C 1.934 176.533 174.600 -0.002 0.000 1.026 380 S CA 1.236 59.424 58.200 -0.019 0.000 0.981 380 S CB -0.519 62.663 63.200 -0.031 0.000 0.818 380 S HN 0.471 nan 8.310 nan 0.000 0.472 381 I N -0.048 120.494 120.570 -0.046 0.000 2.179 381 I HA -0.147 4.061 4.170 0.063 0.000 0.242 381 I C 2.217 178.397 176.117 0.104 0.000 1.088 381 I CA 1.109 62.397 61.300 -0.020 0.000 1.357 381 I CB -0.376 37.553 38.000 -0.118 0.000 1.051 381 I HN 0.414 nan 8.210 nan 0.000 0.409 382 W N 1.496 122.783 121.300 -0.023 0.000 2.363 382 W HA -0.183 4.516 4.660 0.064 0.000 0.296 382 W C 2.662 179.165 176.519 -0.026 0.000 1.212 382 W CA 1.057 58.390 57.345 -0.019 0.000 1.260 382 W CB -0.795 28.650 29.460 -0.025 0.000 1.131 382 W HN 0.094 nan 8.180 nan 0.000 0.530 383 K N 1.248 121.759 120.400 0.185 0.000 2.002 383 K HA -0.191 4.168 4.320 0.063 0.000 0.209 383 K C 2.048 178.691 176.600 0.072 0.000 1.048 383 K CA 1.953 58.292 56.287 0.087 0.000 0.930 383 K CB -0.740 31.787 32.500 0.045 0.000 0.714 383 K HN -0.118 nan 8.250 nan 0.000 0.438 384 K N -0.102 120.339 120.400 0.069 0.000 2.057 384 K HA -0.109 4.249 4.320 0.063 0.000 0.206 384 K C 1.233 177.873 176.600 0.066 0.000 1.050 384 K CA 1.639 57.959 56.287 0.054 0.000 0.935 384 K CB -0.123 32.401 32.500 0.041 0.000 0.715 384 K HN 0.159 nan 8.250 nan 0.000 0.439 385 N N 0.285 119.043 118.700 0.097 0.000 2.415 385 N HA -0.053 4.725 4.740 0.063 0.000 0.176 385 N C 1.134 176.701 175.510 0.095 0.000 1.042 385 N CA 0.579 53.691 53.050 0.103 0.000 0.902 385 N CB 0.297 38.868 38.487 0.140 0.000 0.986 385 N HN 0.155 nan 8.380 nan 0.000 0.447 386 L N -1.517 119.764 121.223 0.096 0.000 3.217 386 L HA 0.413 4.791 4.340 0.063 0.000 0.288 386 L C 0.748 177.628 176.870 0.016 0.000 1.202 386 L CA 0.423 55.290 54.840 0.044 0.000 1.027 386 L CB 0.132 42.201 42.059 0.017 0.000 1.427 386 L HN 0.169 nan 8.230 nan 0.000 0.600 387 G N 0.667 109.485 108.800 0.030 0.000 2.160 387 G HA2 -0.224 3.774 3.960 0.063 0.000 0.251 387 G HA3 -0.224 3.774 3.960 0.063 0.000 0.251 387 G C 0.219 175.111 174.900 -0.013 0.000 1.008 387 G CA 0.505 45.614 45.100 0.014 0.000 0.724 387 G HN 0.819 nan 8.290 nan 0.000 0.514 388 V N -2.619 117.281 119.914 -0.024 0.000 2.617 388 V HA 0.783 4.941 4.120 0.063 0.000 0.298 388 V C -0.020 176.021 176.094 -0.088 0.000 1.048 388 V CA -1.692 60.559 62.300 -0.081 0.000 0.964 388 V CB 1.854 33.603 31.823 -0.123 0.000 1.004 388 V HN 0.179 nan 8.190 nan 0.000 0.466 389 N N 2.701 121.310 118.700 -0.151 0.000 2.408 389 N HA 0.625 5.403 4.740 0.063 0.000 0.280 389 N C -0.562 174.752 175.510 -0.327 0.000 1.002 389 N CA -0.246 52.710 53.050 -0.157 0.000 0.907 389 N CB 1.986 40.418 38.487 -0.092 0.000 1.161 389 N HN 0.950 nan 8.380 nan 0.000 0.488 390 V N -0.003 119.751 119.914 -0.267 0.000 2.680 390 V HA 0.595 4.753 4.120 0.063 0.000 0.309 390 V C -0.318 175.697 176.094 -0.130 0.000 1.052 390 V CA -1.078 61.009 62.300 -0.355 0.000 0.908 390 V CB 1.803 33.430 31.823 -0.327 0.000 1.001 390 V HN 0.468 nan 8.190 nan 0.000 0.431 391 N N 3.351 122.007 118.700 -0.073 0.000 2.469 391 N HA 0.608 5.387 4.740 0.063 0.000 0.253 391 N C -1.018 174.537 175.510 0.075 0.000 0.970 391 N CA -0.538 52.520 53.050 0.014 0.000 0.940 391 N CB 1.541 40.046 38.487 0.030 0.000 1.128 391 N HN 0.617 nan 8.380 nan 0.000 0.503 392 L N 2.217 123.500 121.223 0.101 0.000 2.380 392 L HA 0.234 4.612 4.340 0.063 0.000 0.273 392 L C 0.142 177.117 176.870 0.176 0.000 1.138 392 L CA 0.528 55.485 54.840 0.195 0.000 0.832 392 L CB 0.371 42.572 42.059 0.236 0.000 1.124 392 L HN 0.541 nan 8.230 nan 0.000 0.454 393 E N 2.784 123.085 120.200 0.168 0.000 2.263 393 E HA 0.310 4.698 4.350 0.063 0.000 0.268 393 E C -1.144 175.285 176.600 -0.284 0.000 0.884 393 E CA -0.793 55.612 56.400 0.009 0.000 0.766 393 E CB 1.661 31.385 29.700 0.040 0.000 1.196 393 E HN 0.581 nan 8.360 nan 0.000 0.416 394 N N 2.724 121.160 118.700 -0.439 0.000 2.456 394 N HA 0.299 5.077 4.740 0.063 0.000 0.296 394 N C -0.721 174.595 175.510 -0.322 0.000 1.102 394 N CA -0.566 52.022 53.050 -0.769 0.000 0.924 394 N CB 2.037 40.080 38.487 -0.740 0.000 1.186 394 N HN 0.438 nan 8.380 nan 0.000 0.492 395 Q N 0.155 119.797 119.800 -0.263 0.000 2.379 395 Q HA 0.240 4.618 4.340 0.063 0.000 0.278 395 Q C -1.036 174.939 176.000 -0.040 0.000 1.068 395 Q CA -0.846 54.910 55.803 -0.079 0.000 0.816 395 Q CB 2.282 31.039 28.738 0.032 0.000 1.387 395 Q HN 0.542 nan 8.270 nan 0.000 0.413 396 E N 1.059 121.272 120.200 0.022 0.000 2.422 396 E HA -0.121 4.267 4.350 0.063 0.000 0.260 396 E C 0.462 177.174 176.600 0.186 0.000 1.108 396 E CA 0.154 56.602 56.400 0.082 0.000 0.943 396 E CB 0.435 30.183 29.700 0.079 0.000 0.961 396 E HN 0.720 nan 8.360 nan 0.000 0.443 397 W N 3.270 124.576 121.300 0.011 0.000 2.290 397 W HA -0.362 4.337 4.660 0.064 0.000 0.328 397 W C 1.868 178.480 176.519 0.154 0.000 1.272 397 W CA 2.155 59.551 57.345 0.086 0.000 1.262 397 W CB -0.056 29.428 29.460 0.040 0.000 1.151 397 W HN 0.576 nan 8.180 nan 0.000 0.473 398 K N -0.493 119.978 120.400 0.118 0.000 2.032 398 K HA -0.192 4.166 4.320 0.063 0.000 0.209 398 K C 1.971 178.547 176.600 -0.040 0.000 1.048 398 K CA 2.419 58.685 56.287 -0.036 0.000 0.927 398 K CB -0.472 32.070 32.500 0.070 0.000 0.712 398 K HN 0.031 nan 8.250 nan 0.000 0.441 399 T N 0.817 115.389 114.554 0.030 0.000 2.746 399 T HA -0.144 4.244 4.350 0.063 0.000 0.267 399 T C 1.360 176.069 174.700 0.014 0.000 1.039 399 T CA 1.291 63.404 62.100 0.022 0.000 1.142 399 T CB -0.380 68.513 68.868 0.042 0.000 0.866 399 T HN 0.307 nan 8.240 nan 0.000 0.444 400 F N 2.076 121.944 119.950 -0.138 0.000 2.095 400 F HA -0.081 4.484 4.527 0.063 0.000 0.298 400 F C 1.848 177.476 175.800 -0.287 0.000 1.104 400 F CA 1.190 59.072 58.000 -0.196 0.000 1.232 400 F CB -0.614 38.291 39.000 -0.160 0.000 0.987 400 F HN 0.058 nan 8.300 nan 0.000 0.475 401 L N -0.124 120.842 121.223 -0.427 0.000 2.046 401 L HA -0.207 4.171 4.340 0.063 0.000 0.208 401 L C 2.220 178.937 176.870 -0.257 0.000 1.077 401 L CA 1.396 55.918 54.840 -0.530 0.000 0.747 401 L CB -0.932 40.847 42.059 -0.466 0.000 0.896 401 L HN 0.077 nan 8.230 nan 0.000 0.432 402 D N -0.415 119.905 120.400 -0.133 0.000 2.117 402 D HA -0.150 4.528 4.640 0.063 0.000 0.197 402 D C 2.197 178.468 176.300 -0.049 0.000 0.987 402 D CA 1.654 55.635 54.000 -0.031 0.000 0.829 402 D CB -0.228 40.558 40.800 -0.023 0.000 0.961 402 D HN 0.247 nan 8.370 nan 0.000 0.460 403 T N 0.883 115.365 114.554 -0.121 0.000 2.684 403 T HA -0.136 4.252 4.350 0.063 0.000 0.267 403 T C 2.037 176.643 174.700 -0.157 0.000 1.036 403 T CA 1.066 63.103 62.100 -0.105 0.000 1.148 403 T CB -0.037 68.760 68.868 -0.117 0.000 0.863 403 T HN 0.155 nan 8.240 nan 0.000 0.436 404 R N 0.004 120.229 120.500 -0.458 0.000 2.081 404 R HA -0.055 4.324 4.340 0.063 0.000 0.235 404 R C 2.528 178.754 176.300 -0.123 0.000 1.131 404 R CA 1.204 56.950 56.100 -0.591 0.000 0.960 404 R CB -0.354 29.375 30.300 -0.951 0.000 0.856 404 R HN 0.508 nan 8.270 nan 0.000 0.436 405 H N 0.802 119.834 119.070 -0.063 0.000 2.353 405 H HA -0.108 4.485 4.556 0.063 0.000 0.300 405 H C 2.005 177.427 175.328 0.158 0.000 1.090 405 H CA 1.426 57.500 56.048 0.043 0.000 1.327 405 H CB 0.059 29.800 29.762 -0.035 0.000 1.383 405 H HN 0.363 nan 8.280 nan 0.000 0.508 406 Q N -0.210 119.702 119.800 0.187 0.000 2.291 406 Q HA -0.021 4.357 4.340 0.063 0.000 0.206 406 Q C 1.087 177.127 176.000 0.067 0.000 0.976 406 Q CA 0.638 56.512 55.803 0.119 0.000 0.875 406 Q CB 0.204 28.984 28.738 0.070 0.000 0.927 406 Q HN 0.604 nan 8.270 nan 0.000 0.450 407 G N 1.839 110.727 108.800 0.146 0.000 2.295 407 G HA2 -0.266 3.732 3.960 0.063 0.000 0.287 407 G HA3 -0.266 3.732 3.960 0.063 0.000 0.287 407 G C 0.155 175.006 174.900 -0.082 0.000 1.055 407 G CA 0.564 45.574 45.100 -0.150 0.000 0.922 407 G HN 0.392 nan 8.290 nan 0.000 0.503 408 T N -1.751 112.911 114.554 0.180 0.000 3.326 408 T HA 0.661 5.049 4.350 0.063 0.000 0.274 408 T C -0.061 174.792 174.700 0.255 0.000 1.608 408 T CA -0.074 62.102 62.100 0.127 0.000 1.433 408 T CB -0.337 68.583 68.868 0.087 0.000 1.034 408 T HN 1.618 nan 8.240 nan 0.000 0.694 409 F N -1.633 118.278 119.950 -0.065 0.000 2.877 409 F HA 0.720 5.285 4.527 0.064 0.000 0.319 409 F C -0.916 174.836 175.800 -0.080 0.000 1.174 409 F CA -1.302 56.669 58.000 -0.048 0.000 0.903 409 F CB 0.424 39.387 39.000 -0.062 0.000 1.357 409 F HN -0.109 nan 8.300 nan 0.000 0.472 410 D N 0.316 120.698 120.400 -0.030 0.000 3.032 410 D HA 0.315 4.993 4.640 0.063 0.000 0.280 410 D C -0.399 175.567 176.300 -0.558 0.000 1.381 410 D CA 1.059 54.822 54.000 -0.395 0.000 1.068 410 D CB 0.659 41.425 40.800 -0.057 0.000 1.148 410 D HN 0.232 nan 8.370 nan 0.000 0.401 411 V N 0.482 120.368 119.914 -0.047 0.000 2.735 411 V HA 0.760 4.918 4.120 0.063 0.000 0.310 411 V C -0.747 175.561 176.094 0.357 0.000 1.061 411 V CA -0.871 61.486 62.300 0.096 0.000 0.913 411 V CB 1.861 33.724 31.823 0.067 0.000 1.005 411 V HN 0.342 nan 8.190 nan 0.000 0.428 412 A N 3.826 126.828 122.820 0.303 0.000 2.414 412 A HA 0.786 5.145 4.320 0.063 0.000 0.306 412 A C -0.349 177.340 177.584 0.174 0.000 1.054 412 A CA -0.784 51.351 52.037 0.163 0.000 0.724 412 A CB 1.659 20.482 19.000 -0.295 0.000 1.267 412 A HN 0.755 nan 8.150 nan 0.000 0.418 413 R N 1.092 121.737 120.500 0.241 0.000 2.623 413 R HA 0.499 4.877 4.340 0.063 0.000 0.271 413 R C -0.348 175.758 176.300 -0.323 0.000 1.043 413 R CA 1.062 57.104 56.100 -0.097 0.000 1.083 413 R CB 0.480 30.775 30.300 -0.007 0.000 0.974 413 R HN 1.287 nan 8.270 nan 0.000 0.436 414 A N 1.767 124.103 122.820 -0.806 0.000 2.610 414 A HA 0.692 5.050 4.320 0.063 0.000 0.291 414 A C -1.124 175.945 177.584 -0.858 0.000 1.086 414 A CA -0.169 51.395 52.037 -0.788 0.000 0.677 414 A CB 1.916 20.209 19.000 -1.178 0.000 1.278 414 A HN 0.811 nan 8.150 nan 0.000 0.414 415 G N -0.400 108.203 108.800 -0.329 0.000 2.760 415 G HA2 0.533 4.531 3.960 0.063 0.000 0.296 415 G HA3 0.533 4.531 3.960 0.063 0.000 0.296 415 G C -1.490 173.583 174.900 0.287 0.000 1.427 415 G CA -0.202 44.928 45.100 0.050 0.000 1.109 415 G HN 0.961 nan 8.290 nan 0.000 0.553 416 W N 2.656 124.071 121.300 0.191 0.000 2.656 416 W HA 0.564 5.264 4.660 0.067 0.000 0.327 416 W C -1.217 175.135 176.519 -0.279 0.000 1.041 416 W CA -0.821 56.478 57.345 -0.076 0.000 1.229 416 W CB 2.049 31.389 29.460 -0.199 0.000 1.397 416 W HN 0.543 nan 8.180 nan 0.000 0.479 417 c N 4.165 122.202 118.600 -0.938 0.000 2.417 417 c HA 0.658 5.266 4.570 0.063 0.000 0.324 417 c C 0.842 174.392 174.090 -0.900 0.000 1.240 417 c CA -0.538 55.344 56.329 -0.746 0.000 1.632 417 c CB 0.606 42.739 42.510 -0.628 0.000 2.241 417 c HN 0.700 nan 8.230 nan 0.000 0.499 418 A N 2.206 124.770 122.820 -0.425 0.000 2.531 418 A HA 0.185 4.544 4.320 0.063 0.000 0.236 418 A C 0.843 178.288 177.584 -0.232 0.000 1.062 418 A CA 0.402 52.270 52.037 -0.282 0.000 0.760 418 A CB 0.202 19.180 19.000 -0.038 0.000 0.995 418 A HN 0.930 nan 8.150 nan 0.000 0.501 419 D N -0.721 119.594 120.400 -0.142 0.000 2.355 419 D HA 0.155 4.833 4.640 0.063 0.000 0.206 419 D C -0.352 176.092 176.300 0.240 0.000 1.010 419 D CA 1.364 55.421 54.000 0.095 0.000 0.875 419 D CB 0.209 41.134 40.800 0.210 0.000 0.966 419 D HN 0.682 nan 8.370 nan 0.000 0.512 420 Y N -1.392 118.949 120.300 0.069 0.000 2.544 420 Y HA 0.463 5.050 4.550 0.061 0.000 0.342 420 Y C -0.661 175.232 175.900 -0.011 0.000 1.062 420 Y CA -1.538 56.580 58.100 0.030 0.000 1.023 420 Y CB 0.453 38.922 38.460 0.015 0.000 1.308 420 Y HN -0.404 nan 8.280 nan 0.000 0.457 421 N N 3.291 122.023 118.700 0.053 0.000 2.739 421 N HA 0.172 4.950 4.740 0.063 0.000 0.266 421 N C -1.095 174.366 175.510 -0.081 0.000 1.168 421 N CA 0.495 53.524 53.050 -0.035 0.000 1.055 421 N CB -0.250 38.254 38.487 0.029 0.000 1.393 421 N HN 0.774 nan 8.380 nan 0.000 0.514 422 E N 2.368 122.426 120.200 -0.236 0.000 2.422 422 E HA 0.214 4.602 4.350 0.063 0.000 0.289 422 E C -2.386 173.946 176.600 -0.445 0.000 0.985 422 E CA -1.423 54.799 56.400 -0.296 0.000 0.812 422 E CB 1.731 31.249 29.700 -0.304 0.000 1.226 422 E HN 0.067 nan 8.360 nan 0.000 0.419 423 P HA -0.158 nan 4.420 nan 0.000 0.217 423 P C 1.203 178.131 177.300 -0.619 0.000 1.148 423 P CA 2.261 64.976 63.100 -0.641 0.000 0.828 423 P CB 0.089 31.218 31.700 -0.951 0.000 0.783 424 T N -4.460 109.705 114.554 -0.647 0.000 2.929 424 T HA -0.116 4.272 4.350 0.063 0.000 0.271 424 T C 1.985 176.473 174.700 -0.353 0.000 1.085 424 T CA 1.352 63.233 62.100 -0.364 0.000 1.125 424 T CB -1.193 67.626 68.868 -0.081 0.000 0.874 424 T HN 0.003 nan 8.240 nan 0.000 0.494 425 S N -0.159 115.182 115.700 -0.597 0.000 2.400 425 S HA -0.006 4.502 4.470 0.063 0.000 0.232 425 S C 1.333 175.770 174.600 -0.271 0.000 1.025 425 S CA 0.754 58.554 58.200 -0.666 0.000 0.993 425 S CB -0.562 61.989 63.200 -1.081 0.000 0.808 425 S HN 0.564 nan 8.310 nan 0.000 0.478 426 F N 0.943 120.665 119.950 -0.380 0.000 2.164 426 F HA 0.314 4.877 4.527 0.061 0.000 0.287 426 F C 1.979 177.573 175.800 -0.343 0.000 1.086 426 F CA 0.582 58.296 58.000 -0.476 0.000 1.249 426 F CB -0.559 38.049 39.000 -0.654 0.000 1.059 426 F HN 0.095 nan 8.300 nan 0.000 0.490 427 L N 0.104 121.305 121.223 -0.037 0.000 2.127 427 L HA -0.252 4.126 4.340 0.063 0.000 0.211 427 L C 1.906 178.836 176.870 0.100 0.000 1.089 427 L CA 0.991 55.908 54.840 0.129 0.000 0.757 427 L CB -0.711 41.378 42.059 0.049 0.000 0.899 427 L HN 0.157 nan 8.230 nan 0.000 0.434 428 N N -0.475 118.114 118.700 -0.185 0.000 2.364 428 N HA -0.143 4.635 4.740 0.063 0.000 0.183 428 N C 1.907 177.264 175.510 -0.255 0.000 1.022 428 N CA 1.743 54.599 53.050 -0.322 0.000 0.883 428 N CB -0.417 37.446 38.487 -1.039 0.000 0.965 428 N HN 0.468 nan 8.380 nan 0.000 0.438 429 T N -2.398 111.971 114.554 -0.309 0.000 3.072 429 T HA 0.049 4.437 4.350 0.063 0.000 0.266 429 T C 1.411 175.997 174.700 -0.189 0.000 1.127 429 T CA 0.564 62.480 62.100 -0.307 0.000 1.107 429 T CB 0.005 68.442 68.868 -0.718 0.000 0.910 429 T HN -0.037 nan 8.240 nan 0.000 0.513 430 M N 0.824 120.377 119.600 -0.079 0.000 2.428 430 M HA 0.419 4.937 4.480 0.063 0.000 0.239 430 M C 0.277 176.616 176.300 0.065 0.000 1.121 430 M CA -0.212 54.998 55.300 -0.151 0.000 1.019 430 M CB -0.657 31.620 32.600 -0.539 0.000 1.485 430 M HN 0.294 nan 8.290 nan 0.000 0.484 431 L N 0.333 121.696 121.223 0.234 0.000 2.490 431 L HA 0.009 4.387 4.340 0.063 0.000 0.274 431 L C 1.741 178.671 176.870 0.100 0.000 1.201 431 L CA -0.321 54.669 54.840 0.252 0.000 0.869 431 L CB 0.326 42.511 42.059 0.209 0.000 1.123 431 L HN 0.212 nan 8.230 nan 0.000 0.484 432 S N 1.351 117.089 115.700 0.063 0.000 2.381 432 S HA -0.217 4.291 4.470 0.063 0.000 0.230 432 S C 1.193 175.796 174.600 0.006 0.000 1.052 432 S CA 1.988 60.184 58.200 -0.006 0.000 1.068 432 S CB -0.276 62.917 63.200 -0.012 0.000 0.918 432 S HN 0.929 nan 8.310 nan 0.000 0.448 433 D N 0.632 121.050 120.400 0.029 0.000 2.325 433 D HA 0.138 4.816 4.640 0.063 0.000 0.225 433 D C 0.295 176.609 176.300 0.024 0.000 1.096 433 D CA -0.026 53.987 54.000 0.022 0.000 0.844 433 D CB -0.309 40.505 40.800 0.024 0.000 0.925 433 D HN 0.185 nan 8.370 nan 0.000 0.513 434 S N 0.338 116.061 115.700 0.037 0.000 2.531 434 S HA 0.125 4.633 4.470 0.063 0.000 0.279 434 S C 1.571 176.165 174.600 -0.010 0.000 1.305 434 S CA 0.050 58.280 58.200 0.051 0.000 1.058 434 S CB 0.893 64.145 63.200 0.087 0.000 0.899 434 S HN 0.287 nan 8.310 nan 0.000 0.493 435 S N 3.971 119.649 115.700 -0.038 0.000 2.469 435 S HA -0.111 4.397 4.470 0.063 0.000 0.238 435 S C 0.969 175.552 174.600 -0.029 0.000 0.998 435 S CA 1.281 59.447 58.200 -0.057 0.000 0.957 435 S CB -0.670 62.466 63.200 -0.106 0.000 0.764 435 S HN 0.863 nan 8.310 nan 0.000 0.514 436 N N 1.689 120.346 118.700 -0.072 0.000 2.336 436 N HA 0.132 4.910 4.740 0.063 0.000 0.189 436 N C 0.035 175.418 175.510 -0.212 0.000 1.113 436 N CA -0.037 52.938 53.050 -0.125 0.000 0.858 436 N CB -0.072 38.246 38.487 -0.282 0.000 0.970 436 N HN 0.265 nan 8.380 nan 0.000 0.471 437 N N 1.227 119.817 118.700 -0.183 0.000 2.605 437 N HA 0.007 4.785 4.740 0.063 0.000 0.258 437 N C 0.375 175.625 175.510 -0.433 0.000 1.156 437 N CA 0.180 53.070 53.050 -0.267 0.000 1.008 437 N CB 0.284 38.662 38.487 -0.181 0.000 1.354 437 N HN 0.190 nan 8.380 nan 0.000 0.509 438 T N -1.141 113.154 114.554 -0.432 0.000 3.107 438 T HA 0.173 4.561 4.350 0.063 0.000 0.249 438 T C 1.490 176.057 174.700 -0.221 0.000 1.096 438 T CA 0.262 62.070 62.100 -0.487 0.000 1.012 438 T CB 0.243 68.807 68.868 -0.507 0.000 0.977 438 T HN 0.282 nan 8.240 nan 0.000 0.527 439 A N 1.165 123.866 122.820 -0.199 0.000 2.123 439 A HA 0.082 4.440 4.320 0.063 0.000 0.214 439 A C 0.926 178.534 177.584 0.040 0.000 1.152 439 A CA 0.226 52.245 52.037 -0.031 0.000 0.728 439 A CB -0.765 18.158 19.000 -0.129 0.000 0.814 439 A HN 0.712 nan 8.150 nan 0.000 0.464 440 H N -3.005 116.058 119.070 -0.013 0.000 2.791 440 H HA -0.230 4.364 4.556 0.064 0.000 0.302 440 H C -0.506 174.827 175.328 0.008 0.000 1.198 440 H CA 1.137 57.176 56.048 -0.016 0.000 1.145 440 H CB -2.027 27.708 29.762 -0.045 0.000 1.385 440 H HN 0.696 nan 8.280 nan 0.000 0.409 441 Y N 1.574 121.812 120.300 -0.103 0.000 2.316 441 Y HA 0.382 4.970 4.550 0.064 0.000 0.331 441 Y C -0.059 175.775 175.900 -0.110 0.000 1.083 441 Y CA -0.400 57.622 58.100 -0.131 0.000 1.206 441 Y CB 0.848 39.166 38.460 -0.236 0.000 1.195 441 Y HN 0.034 nan 8.280 nan 0.000 0.497 442 K N 5.086 125.169 120.400 -0.527 0.000 2.616 442 K HA 0.303 4.661 4.320 0.063 0.000 0.241 442 K C -1.287 174.986 176.600 -0.546 0.000 0.961 442 K CA -0.527 55.507 56.287 -0.422 0.000 0.942 442 K CB 1.477 33.869 32.500 -0.181 0.000 1.153 442 K HN 0.545 nan 8.250 nan 0.000 0.452 443 S N 3.376 118.722 115.700 -0.589 0.000 2.707 443 S HA 0.364 4.873 4.470 0.063 0.000 0.312 443 S C -2.160 172.400 174.600 -0.066 0.000 1.116 443 S CA -1.783 56.210 58.200 -0.345 0.000 1.078 443 S CB 1.089 64.050 63.200 -0.397 0.000 0.997 443 S HN 0.210 nan 8.310 nan 0.000 0.477 444 P HA -0.033 nan 4.420 nan 0.000 0.216 444 P C 1.392 178.716 177.300 0.041 0.000 1.150 444 P CA 1.317 64.422 63.100 0.007 0.000 0.837 444 P CB 0.129 31.826 31.700 -0.005 0.000 0.786 445 A N -1.138 121.716 122.820 0.057 0.000 1.898 445 A HA -0.190 4.168 4.320 0.063 0.000 0.216 445 A C 2.116 179.766 177.584 0.110 0.000 1.181 445 A CA 1.318 53.401 52.037 0.076 0.000 0.620 445 A CB -1.804 17.249 19.000 0.088 0.000 0.819 445 A HN 0.169 nan 8.150 nan 0.000 0.442 446 F N 1.270 121.242 119.950 0.037 0.000 2.102 446 F HA -0.181 4.384 4.527 0.063 0.000 0.298 446 F C 1.749 177.586 175.800 0.061 0.000 1.105 446 F CA 2.103 60.152 58.000 0.082 0.000 1.239 446 F CB -0.154 38.948 39.000 0.171 0.000 0.991 446 F HN 0.228 nan 8.300 nan 0.000 0.474 447 D N 0.432 120.922 120.400 0.149 0.000 2.123 447 D HA -0.194 4.484 4.640 0.063 0.000 0.196 447 D C 2.104 178.385 176.300 -0.032 0.000 0.992 447 D CA 1.326 55.360 54.000 0.057 0.000 0.833 447 D CB -0.391 40.465 40.800 0.093 0.000 0.954 447 D HN 0.168 nan 8.370 nan 0.000 0.455 448 K N 0.986 121.375 120.400 -0.017 0.000 2.026 448 K HA -0.053 4.305 4.320 0.063 0.000 0.208 448 K C 2.150 178.715 176.600 -0.058 0.000 1.048 448 K CA 0.850 57.124 56.287 -0.023 0.000 0.929 448 K CB -0.683 31.814 32.500 -0.006 0.000 0.713 448 K HN 0.130 nan 8.250 nan 0.000 0.439 449 L N 0.368 121.531 121.223 -0.100 0.000 2.013 449 L HA -0.217 4.161 4.340 0.063 0.000 0.212 449 L C 2.265 179.057 176.870 -0.130 0.000 1.073 449 L CA 0.994 55.762 54.840 -0.119 0.000 0.753 449 L CB -0.559 41.411 42.059 -0.149 0.000 0.890 449 L HN 0.182 nan 8.230 nan 0.000 0.432 450 I N 0.110 120.558 120.570 -0.203 0.000 2.252 450 I HA -0.217 3.991 4.170 0.063 0.000 0.245 450 I C 2.854 178.975 176.117 0.007 0.000 1.102 450 I CA 1.536 62.782 61.300 -0.090 0.000 1.385 450 I CB -1.635 36.268 38.000 -0.162 0.000 1.064 450 I HN 0.181 nan 8.210 nan 0.000 0.414 451 A N 0.705 123.525 122.820 0.000 0.000 1.940 451 A HA -0.224 4.134 4.320 0.063 0.000 0.219 451 A C 1.939 179.523 177.584 -0.000 0.000 1.176 451 A CA 1.970 54.024 52.037 0.029 0.000 0.631 451 A CB -0.656 18.360 19.000 0.027 0.000 0.814 451 A HN 0.344 nan 8.150 nan 0.000 0.446 452 D N -0.425 119.962 120.400 -0.021 0.000 2.263 452 D HA -0.108 4.570 4.640 0.063 0.000 0.208 452 D C 2.232 178.505 176.300 -0.045 0.000 0.971 452 D CA 1.756 55.735 54.000 -0.034 0.000 0.867 452 D CB -0.522 40.252 40.800 -0.044 0.000 0.929 452 D HN 0.665 nan 8.370 nan 0.000 0.492 453 T N -1.575 112.956 114.554 -0.040 0.000 2.881 453 T HA -0.083 4.305 4.350 0.063 0.000 0.270 453 T C 1.878 176.572 174.700 -0.010 0.000 1.068 453 T CA 0.638 62.703 62.100 -0.059 0.000 1.131 453 T CB -0.269 68.579 68.868 -0.033 0.000 0.871 453 T HN 0.159 nan 8.240 nan 0.000 0.479 454 L N -0.617 120.601 121.223 -0.008 0.000 2.607 454 L HA 0.368 4.746 4.340 0.063 0.000 0.228 454 L C 2.242 179.083 176.870 -0.048 0.000 1.123 454 L CA 0.142 54.960 54.840 -0.036 0.000 0.890 454 L CB 0.033 42.017 42.059 -0.124 0.000 1.103 454 L HN 0.148 nan 8.230 nan 0.000 0.468 455 K N -0.065 120.312 120.400 -0.039 0.000 2.393 455 K HA 0.081 4.439 4.320 0.063 0.000 0.193 455 K C 0.349 176.936 176.600 -0.022 0.000 1.026 455 K CA 0.104 56.373 56.287 -0.031 0.000 1.064 455 K CB 0.595 33.078 32.500 -0.029 0.000 0.833 455 K HN 0.167 nan 8.250 nan 0.000 0.521 456 V N -2.944 116.955 119.914 -0.025 0.000 2.850 456 V HA 0.717 4.875 4.120 0.063 0.000 0.315 456 V C -0.152 175.938 176.094 -0.007 0.000 1.064 456 V CA -0.967 61.321 62.300 -0.020 0.000 0.979 456 V CB 1.671 33.472 31.823 -0.037 0.000 1.039 456 V HN -0.088 nan 8.190 nan 0.000 0.452 457 A N 1.928 124.751 122.820 0.006 0.000 2.855 457 A HA 0.545 4.903 4.320 0.063 0.000 0.301 457 A C -0.101 177.494 177.584 0.019 0.000 1.076 457 A CA -0.105 51.946 52.037 0.023 0.000 1.004 457 A CB -0.666 18.364 19.000 0.050 0.000 1.152 457 A HN 0.930 nan 8.150 nan 0.000 0.531 458 D N -0.479 119.921 120.400 0.001 0.000 2.863 458 D HA 0.224 4.902 4.640 0.063 0.000 0.245 458 D C -0.441 175.849 176.300 -0.015 0.000 1.211 458 D CA -0.290 53.709 54.000 -0.002 0.000 0.888 458 D CB 1.617 42.412 40.800 -0.008 0.000 1.483 458 D HN 0.026 nan 8.370 nan 0.000 0.533 459 D N 1.712 122.112 120.400 0.000 0.000 2.144 459 D HA -0.099 4.579 4.640 0.063 0.000 0.200 459 D C 1.534 177.817 176.300 -0.028 0.000 0.978 459 D CA 1.242 55.242 54.000 -0.001 0.000 0.833 459 D CB 0.254 41.072 40.800 0.029 0.000 0.961 459 D HN 0.444 nan 8.370 nan 0.000 0.470 460 T N 0.866 115.407 114.554 -0.022 0.000 2.777 460 T HA -0.134 4.254 4.350 0.063 0.000 0.266 460 T C 1.972 176.635 174.700 -0.061 0.000 1.040 460 T CA 1.024 63.106 62.100 -0.030 0.000 1.141 460 T CB -0.099 68.760 68.868 -0.015 0.000 0.868 460 T HN 0.244 nan 8.240 nan 0.000 0.444 461 Q N 0.446 120.206 119.800 -0.067 0.000 2.079 461 Q HA -0.015 4.363 4.340 0.063 0.000 0.200 461 Q C 2.631 178.529 176.000 -0.170 0.000 0.974 461 Q CA 1.104 56.852 55.803 -0.091 0.000 0.840 461 Q CB -0.132 28.564 28.738 -0.069 0.000 0.898 461 Q HN 0.413 nan 8.270 nan 0.000 0.430 462 R N 0.052 120.425 120.500 -0.212 0.000 2.083 462 R HA -0.104 4.274 4.340 0.063 0.000 0.237 462 R C 2.525 178.438 176.300 -0.645 0.000 1.137 462 R CA 1.590 57.420 56.100 -0.451 0.000 0.951 462 R CB -0.206 29.853 30.300 -0.402 0.000 0.851 462 R HN 0.084 nan 8.270 nan 0.000 0.434 463 S N 0.550 116.069 115.700 -0.302 0.000 2.382 463 S HA -0.149 4.359 4.470 0.063 0.000 0.228 463 S C 1.643 176.187 174.600 -0.093 0.000 1.027 463 S CA 1.222 59.347 58.200 -0.124 0.000 0.991 463 S CB -0.098 63.098 63.200 -0.006 0.000 0.823 463 S HN 0.372 nan 8.310 nan 0.000 0.469 464 E N 0.721 120.856 120.200 -0.109 0.000 2.106 464 E HA -0.074 4.314 4.350 0.063 0.000 0.192 464 E C 1.989 178.542 176.600 -0.079 0.000 0.984 464 E CA 0.812 57.172 56.400 -0.066 0.000 0.806 464 E CB -0.220 29.447 29.700 -0.056 0.000 0.750 464 E HN 0.423 nan 8.360 nan 0.000 0.458 465 L N 0.051 121.174 121.223 -0.166 0.000 2.093 465 L HA -0.187 4.191 4.340 0.063 0.000 0.208 465 L C 2.278 179.111 176.870 -0.062 0.000 1.085 465 L CA 0.898 55.648 54.840 -0.151 0.000 0.755 465 L CB -0.373 41.552 42.059 -0.224 0.000 0.904 465 L HN 0.167 nan 8.230 nan 0.000 0.435 466 Y N -0.145 120.128 120.300 -0.046 0.000 2.200 466 Y HA -0.157 4.431 4.550 0.064 0.000 0.290 466 Y C 2.648 178.532 175.900 -0.026 0.000 1.137 466 Y CA 0.490 58.559 58.100 -0.051 0.000 1.163 466 Y CB -1.283 37.141 38.460 -0.060 0.000 0.988 466 Y HN 0.107 nan 8.280 nan 0.000 0.518 467 A N 0.446 123.341 122.820 0.125 0.000 1.883 467 A HA -0.258 4.100 4.320 0.063 0.000 0.217 467 A C 2.229 179.857 177.584 0.073 0.000 1.186 467 A CA 2.165 54.248 52.037 0.077 0.000 0.624 467 A CB -0.653 18.372 19.000 0.043 0.000 0.822 467 A HN 0.431 nan 8.150 nan 0.000 0.444 468 K N -0.354 120.078 120.400 0.053 0.000 2.147 468 K HA 0.004 4.362 4.320 0.063 0.000 0.205 468 K C 2.239 178.892 176.600 0.088 0.000 1.049 468 K CA 1.023 57.343 56.287 0.055 0.000 0.936 468 K CB -0.307 32.207 32.500 0.023 0.000 0.722 468 K HN 0.458 nan 8.250 nan 0.000 0.446 469 A N 1.564 124.434 122.820 0.083 0.000 1.902 469 A HA -0.185 4.173 4.320 0.063 0.000 0.217 469 A C 1.932 179.688 177.584 0.288 0.000 1.181 469 A CA 1.394 53.499 52.037 0.114 0.000 0.623 469 A CB -0.239 18.719 19.000 -0.070 0.000 0.818 469 A HN 0.157 nan 8.150 nan 0.000 0.443 470 E N -0.059 120.261 120.200 0.200 0.000 2.106 470 E HA -0.197 4.191 4.350 0.063 0.000 0.192 470 E C 2.199 178.889 176.600 0.150 0.000 0.984 470 E CA 1.262 57.765 56.400 0.172 0.000 0.806 470 E CB -0.352 29.412 29.700 0.107 0.000 0.750 470 E HN 0.775 nan 8.360 nan 0.000 0.458 471 Q N 0.336 120.216 119.800 0.133 0.000 2.084 471 Q HA -0.227 4.151 4.340 0.063 0.000 0.202 471 Q C 2.217 178.302 176.000 0.140 0.000 0.978 471 Q CA 1.546 57.420 55.803 0.120 0.000 0.844 471 Q CB -0.125 28.667 28.738 0.090 0.000 0.898 471 Q HN 0.096 nan 8.270 nan 0.000 0.426 472 Q N 0.934 120.842 119.800 0.180 0.000 2.084 472 Q HA -0.125 4.253 4.340 0.063 0.000 0.202 472 Q C 1.831 177.946 176.000 0.192 0.000 0.978 472 Q CA 1.342 57.276 55.803 0.217 0.000 0.844 472 Q CB -0.233 28.692 28.738 0.312 0.000 0.898 472 Q HN 0.380 nan 8.270 nan 0.000 0.426 473 L N 0.187 121.504 121.223 0.157 0.000 2.012 473 L HA -0.217 4.162 4.340 0.063 0.000 0.210 473 L C 2.179 179.000 176.870 -0.083 0.000 1.073 473 L CA 1.832 56.607 54.840 -0.109 0.000 0.748 473 L CB -0.566 41.388 42.059 -0.175 0.000 0.891 473 L HN 0.370 nan 8.230 nan 0.000 0.431 474 D N 0.076 120.500 120.400 0.039 0.000 2.097 474 D HA -0.253 4.425 4.640 0.063 0.000 0.195 474 D C 2.200 178.557 176.300 0.094 0.000 0.989 474 D CA 1.379 55.443 54.000 0.107 0.000 0.827 474 D CB 0.037 40.971 40.800 0.223 0.000 0.966 474 D HN 0.069 nan 8.370 nan 0.000 0.456 475 K N -0.077 120.385 120.400 0.103 0.000 2.074 475 K HA -0.175 4.183 4.320 0.063 0.000 0.209 475 K C 0.938 177.576 176.600 0.065 0.000 1.048 475 K CA 1.761 58.104 56.287 0.093 0.000 0.926 475 K CB -0.042 32.520 32.500 0.104 0.000 0.713 475 K HN 0.139 nan 8.250 nan 0.000 0.444 476 D N 0.347 120.785 120.400 0.063 0.000 2.355 476 D HA 0.007 4.685 4.640 0.063 0.000 0.218 476 D C -0.176 176.117 176.300 -0.011 0.000 1.004 476 D CA 0.390 54.427 54.000 0.062 0.000 0.880 476 D CB 0.251 41.159 40.800 0.180 0.000 0.911 476 D HN 0.073 nan 8.370 nan 0.000 0.528 477 S N 0.031 115.698 115.700 -0.054 0.000 3.524 477 S HA -0.251 4.257 4.470 0.063 0.000 0.377 477 S C 1.413 175.931 174.600 -0.137 0.000 0.949 477 S CA 0.278 58.423 58.200 -0.092 0.000 1.264 477 S CB -1.101 62.048 63.200 -0.085 0.000 0.918 477 S HN 0.520 nan 8.310 nan 0.000 0.517 478 A N 0.366 123.017 122.820 -0.282 0.000 1.933 478 A HA 0.254 4.612 4.320 0.063 0.000 0.218 478 A C 1.003 178.418 177.584 -0.281 0.000 1.175 478 A CA 1.491 53.270 52.037 -0.428 0.000 0.628 478 A CB -0.393 17.966 19.000 -1.068 0.000 0.814 478 A HN 1.053 nan 8.150 nan 0.000 0.444 479 I N -5.700 114.729 120.570 -0.234 0.000 3.457 479 I HA 0.668 4.876 4.170 0.063 0.000 0.307 479 I C -1.094 175.040 176.117 0.028 0.000 1.138 479 I CA -1.297 59.954 61.300 -0.082 0.000 0.974 479 I CB 2.227 40.122 38.000 -0.175 0.000 1.324 479 I HN -0.252 nan 8.210 nan 0.000 0.485 480 V N 2.215 122.237 119.914 0.181 0.000 2.284 480 V HA 0.409 4.567 4.120 0.063 0.000 0.274 480 V C -2.435 173.825 176.094 0.277 0.000 1.023 480 V CA -1.510 60.935 62.300 0.242 0.000 0.808 480 V CB 0.611 32.673 31.823 0.399 0.000 1.035 480 V HN 0.582 nan 8.190 nan 0.000 0.445 481 P HA 0.193 nan 4.420 nan 0.000 0.268 481 P C 0.450 177.858 177.300 0.180 0.000 1.204 481 P CA 0.348 63.547 63.100 0.166 0.000 0.768 481 P CB 1.591 33.354 31.700 0.105 0.000 0.842 482 V N 2.538 122.510 119.914 0.098 0.000 3.001 482 V HA 0.209 4.367 4.120 0.063 0.000 0.228 482 V C -0.109 175.998 176.094 0.022 0.000 1.204 482 V CA 1.055 63.408 62.300 0.089 0.000 1.247 482 V CB -0.493 31.374 31.823 0.073 0.000 1.093 482 V HN 0.579 nan 8.190 nan 0.000 0.504 483 Y N -2.431 117.797 120.300 -0.120 0.000 2.624 483 Y HA 0.737 5.324 4.550 0.062 0.000 0.334 483 Y C -1.657 174.088 175.900 -0.258 0.000 1.155 483 Y CA -2.432 55.507 58.100 -0.268 0.000 1.046 483 Y CB 0.530 38.880 38.460 -0.183 0.000 1.316 483 Y HN 0.078 nan 8.280 nan 0.000 0.457 484 Y N 1.479 122.010 120.300 0.386 0.000 2.313 484 Y HA 0.434 5.022 4.550 0.064 0.000 0.332 484 Y C -0.402 175.827 175.900 0.548 0.000 1.071 484 Y CA -1.026 57.300 58.100 0.377 0.000 1.169 484 Y CB 0.242 38.900 38.460 0.330 0.000 1.192 484 Y HN 0.530 nan 8.280 nan 0.000 0.487 485 Y N 1.568 122.185 120.300 0.528 0.000 2.357 485 Y HA 0.367 4.956 4.550 0.064 0.000 0.340 485 Y C 0.538 176.655 175.900 0.362 0.000 1.260 485 Y CA -1.035 57.348 58.100 0.471 0.000 1.425 485 Y CB 0.404 39.103 38.460 0.398 0.000 1.326 485 Y HN 0.394 nan 8.280 nan 0.000 0.580 486 V N -0.188 119.986 119.914 0.434 0.000 2.850 486 V HA 0.498 4.656 4.120 0.063 0.000 0.315 486 V C -0.354 175.951 176.094 0.352 0.000 1.064 486 V CA -1.296 61.178 62.300 0.289 0.000 0.979 486 V CB 1.860 33.741 31.823 0.097 0.000 1.039 486 V HN 0.735 nan 8.190 nan 0.000 0.452 487 N N 2.449 121.243 118.700 0.156 0.000 2.521 487 N HA 0.527 5.305 4.740 0.063 0.000 0.236 487 N C -0.359 175.100 175.510 -0.084 0.000 1.067 487 N CA 0.144 53.099 53.050 -0.157 0.000 0.939 487 N CB 0.668 38.830 38.487 -0.541 0.000 1.201 487 N HN 1.159 nan 8.380 nan 0.000 0.511 488 A N 4.168 126.957 122.820 -0.052 0.000 2.271 488 A HA 0.771 5.130 4.320 0.063 0.000 0.317 488 A C -0.108 177.429 177.584 -0.079 0.000 1.245 488 A CA -0.670 51.343 52.037 -0.039 0.000 0.857 488 A CB 0.530 19.477 19.000 -0.089 0.000 1.175 488 A HN 0.817 nan 8.150 nan 0.000 0.512 489 R N 1.503 121.952 120.500 -0.084 0.000 2.752 489 R HA 0.759 5.137 4.340 0.063 0.000 0.271 489 R C -1.776 174.395 176.300 -0.215 0.000 1.026 489 R CA -0.978 55.021 56.100 -0.169 0.000 0.901 489 R CB 0.936 31.087 30.300 -0.248 0.000 1.243 489 R HN 0.401 nan 8.270 nan 0.000 0.463 490 L N 1.205 122.205 121.223 -0.371 0.000 2.322 490 L HA 0.727 5.105 4.340 0.063 0.000 0.279 490 L C -0.752 175.862 176.870 -0.427 0.000 1.036 490 L CA -1.370 53.140 54.840 -0.549 0.000 0.807 490 L CB 1.975 43.301 42.059 -1.221 0.000 1.226 490 L HN 0.342 nan 8.230 nan 0.000 0.433 491 V N 2.691 122.480 119.914 -0.207 0.000 2.623 491 V HA 0.328 4.486 4.120 0.063 0.000 0.304 491 V C -0.078 175.943 176.094 -0.122 0.000 1.054 491 V CA -1.119 61.101 62.300 -0.133 0.000 0.882 491 V CB 1.936 33.615 31.823 -0.239 0.000 1.002 491 V HN 0.605 nan 8.190 nan 0.000 0.424 492 K N 4.679 124.892 120.400 -0.311 0.000 2.380 492 K HA 0.205 4.563 4.320 0.063 0.000 0.267 492 K C -1.664 174.488 176.600 -0.746 0.000 0.990 492 K CA -1.645 54.132 56.287 -0.850 0.000 0.946 492 K CB 0.903 32.300 32.500 -1.838 0.000 0.937 492 K HN 0.282 nan 8.250 nan 0.000 0.491 493 P HA -0.112 nan 4.420 nan 0.000 0.220 493 P C 0.688 177.887 177.300 -0.170 0.000 1.148 493 P CA 1.175 64.098 63.100 -0.294 0.000 0.803 493 P CB -0.034 31.582 31.700 -0.141 0.000 0.782 494 W N -1.878 119.310 121.300 -0.186 0.000 3.256 494 W HA 0.288 4.986 4.660 0.064 0.000 0.269 494 W C -0.423 176.010 176.519 -0.143 0.000 1.310 494 W CA -0.168 57.079 57.345 -0.164 0.000 1.673 494 W CB -1.260 27.984 29.460 -0.361 0.000 1.115 494 W HN -0.392 nan 8.180 nan 0.000 0.686 495 V N 3.246 123.033 119.914 -0.212 0.000 2.372 495 V HA 0.542 4.700 4.120 0.063 0.000 0.261 495 V C 0.970 176.904 176.094 -0.267 0.000 1.055 495 V CA -0.186 62.003 62.300 -0.186 0.000 0.930 495 V CB -0.138 31.547 31.823 -0.231 0.000 1.031 495 V HN 0.209 nan 8.190 nan 0.000 0.479 496 G N 2.731 111.203 108.800 -0.547 0.000 2.437 496 G HA2 0.557 4.555 3.960 0.063 0.000 0.319 496 G HA3 0.557 4.555 3.960 0.063 0.000 0.319 496 G C 0.862 175.276 174.900 -0.810 0.000 1.158 496 G CA 0.164 44.706 45.100 -0.931 0.000 0.899 496 G HN 1.424 nan 8.290 nan 0.000 0.502 497 G N -1.178 107.422 108.800 -0.334 0.000 2.213 497 G HA2 -0.259 3.739 3.960 0.063 0.000 0.236 497 G HA3 -0.259 3.739 3.960 0.063 0.000 0.236 497 G C 0.219 175.153 174.900 0.057 0.000 0.991 497 G CA 0.599 45.684 45.100 -0.024 0.000 0.629 497 G HN 1.204 nan 8.290 nan 0.000 0.517 498 Y N 3.048 123.293 120.300 -0.093 0.000 2.477 498 Y HA 0.481 5.087 4.550 0.093 0.000 0.349 498 Y C 1.763 177.632 175.900 -0.052 0.000 0.977 498 Y CA 0.641 58.701 58.100 -0.068 0.000 1.214 498 Y CB 1.115 39.516 38.460 -0.100 0.000 1.124 498 Y HN 0.268 nan 8.280 nan 0.000 0.521 499 T N 0.986 115.292 114.554 -0.413 0.000 2.937 499 T HA 0.147 4.535 4.350 0.063 0.000 0.260 499 T C 1.622 176.038 174.700 -0.472 0.000 1.051 499 T CA 0.844 62.750 62.100 -0.323 0.000 1.141 499 T CB -0.545 68.216 68.868 -0.179 0.000 0.879 499 T HN 1.312 nan 8.240 nan 0.000 0.459 500 G N 1.258 109.578 108.800 -0.799 0.000 2.159 500 G HA2 -0.237 3.761 3.960 0.063 0.000 0.256 500 G HA3 -0.237 3.761 3.960 0.063 0.000 0.256 500 G C 0.917 175.645 174.900 -0.286 0.000 0.977 500 G CA 0.443 45.190 45.100 -0.590 0.000 0.652 500 G HN 0.500 nan 8.290 nan 0.000 0.531 501 K N 0.230 120.487 120.400 -0.239 0.000 2.400 501 K HA 0.058 4.416 4.320 0.063 0.000 0.194 501 K C 0.517 177.051 176.600 -0.111 0.000 1.033 501 K CA 0.309 56.515 56.287 -0.135 0.000 1.021 501 K CB 0.168 32.604 32.500 -0.106 0.000 0.808 501 K HN 0.466 nan 8.250 nan 0.000 0.505 502 D N 1.924 122.248 120.400 -0.127 0.000 2.339 502 D HA 0.054 4.732 4.640 0.063 0.000 0.241 502 D C -1.642 174.654 176.300 -0.006 0.000 1.183 502 D CA -2.255 51.706 54.000 -0.065 0.000 0.859 502 D CB 1.469 42.242 40.800 -0.045 0.000 1.067 502 D HN -0.086 nan 8.370 nan 0.000 0.484 503 P HA -0.060 nan 4.420 nan 0.000 0.230 503 P C 1.269 178.698 177.300 0.215 0.000 1.158 503 P CA 0.576 63.760 63.100 0.140 0.000 0.769 503 P CB 0.411 32.195 31.700 0.139 0.000 0.807 504 L N -1.067 120.241 121.223 0.140 0.000 2.477 504 L HA 0.118 4.496 4.340 0.063 0.000 0.220 504 L C 0.597 177.565 176.870 0.164 0.000 1.106 504 L CA 0.288 55.215 54.840 0.145 0.000 0.851 504 L CB -1.015 41.093 42.059 0.083 0.000 0.994 504 L HN -0.003 nan 8.230 nan 0.000 0.462 505 D N 1.338 121.788 120.400 0.084 0.000 2.699 505 D HA -0.201 4.478 4.640 0.063 0.000 0.239 505 D C -0.089 176.217 176.300 0.010 0.000 1.136 505 D CA 0.287 54.293 54.000 0.010 0.000 0.668 505 D CB -0.951 39.780 40.800 -0.114 0.000 1.060 505 D HN 0.126 nan 8.370 nan 0.000 0.429 506 N N 1.293 120.003 118.700 0.017 0.000 2.968 506 N HA 0.116 4.894 4.740 0.063 0.000 0.271 506 N C 0.026 175.480 175.510 -0.094 0.000 1.174 506 N CA -0.220 52.797 53.050 -0.054 0.000 1.096 506 N CB 0.112 38.617 38.487 0.030 0.000 1.403 506 N HN 0.314 nan 8.380 nan 0.000 0.522 507 I N 1.841 122.347 120.570 -0.106 0.000 2.519 507 I HA 0.116 4.324 4.170 0.063 0.000 0.287 507 I C 0.098 176.084 176.117 -0.218 0.000 1.047 507 I CA -0.567 60.721 61.300 -0.021 0.000 1.381 507 I CB -0.137 37.892 38.000 0.048 0.000 1.417 507 I HN 0.210 nan 8.210 nan 0.000 0.540 508 Y N 4.068 124.414 120.300 0.077 0.000 2.331 508 Y HA 0.289 4.872 4.550 0.056 0.000 0.334 508 Y C 1.068 177.024 175.900 0.092 0.000 0.960 508 Y CA -0.666 57.481 58.100 0.078 0.000 1.130 508 Y CB 1.540 40.048 38.460 0.080 0.000 1.164 508 Y HN 0.254 nan 8.280 nan 0.000 0.458 509 V N 3.201 123.225 119.914 0.184 0.000 2.720 509 V HA -0.292 3.866 4.120 0.063 0.000 0.256 509 V C 2.095 178.354 176.094 0.275 0.000 1.082 509 V CA 2.103 64.475 62.300 0.120 0.000 1.101 509 V CB -0.511 31.236 31.823 -0.127 0.000 0.693 509 V HN 0.805 nan 8.190 nan 0.000 0.479 510 K N 0.364 120.996 120.400 0.386 0.000 2.360 510 K HA -0.167 4.191 4.320 0.063 0.000 0.201 510 K C 1.248 177.963 176.600 0.193 0.000 1.046 510 K CA 1.668 58.109 56.287 0.257 0.000 0.945 510 K CB -0.319 32.242 32.500 0.102 0.000 0.750 510 K HN 0.423 nan 8.250 nan 0.000 0.464 511 N N 0.662 119.488 118.700 0.210 0.000 2.336 511 N HA 0.144 4.922 4.740 0.063 0.000 0.189 511 N C 0.292 175.930 175.510 0.214 0.000 1.113 511 N CA 0.255 53.422 53.050 0.195 0.000 0.858 511 N CB 0.218 38.821 38.487 0.193 0.000 0.970 511 N HN 0.191 nan 8.380 nan 0.000 0.471 512 L N 0.244 121.577 121.223 0.183 0.000 2.416 512 L HA 0.452 4.830 4.340 0.063 0.000 0.263 512 L C -0.594 176.399 176.870 0.205 0.000 1.065 512 L CA -1.138 53.761 54.840 0.100 0.000 0.798 512 L CB 0.771 42.844 42.059 0.023 0.000 1.267 512 L HN 0.085 nan 8.230 nan 0.000 0.467 513 Y N -1.444 118.911 120.300 0.091 0.000 2.592 513 Y HA 0.615 5.191 4.550 0.044 0.000 0.334 513 Y C -1.229 174.740 175.900 0.115 0.000 1.136 513 Y CA -1.441 56.714 58.100 0.092 0.000 1.042 513 Y CB 0.898 39.407 38.460 0.081 0.000 1.325 513 Y HN 0.094 nan 8.280 nan 0.000 0.457 514 I N 4.064 124.800 120.570 0.277 0.000 2.321 514 I HA 0.361 4.569 4.170 0.063 0.000 0.291 514 I C 0.008 176.309 176.117 0.307 0.000 0.998 514 I CA -1.177 60.277 61.300 0.257 0.000 1.227 514 I CB 1.006 39.135 38.000 0.216 0.000 1.368 514 I HN 0.656 nan 8.210 nan 0.000 0.466 515 I N 5.106 125.879 120.570 0.338 0.000 2.519 515 I HA 0.127 4.336 4.170 0.063 0.000 0.287 515 I C 0.967 177.255 176.117 0.284 0.000 1.047 515 I CA -0.594 60.896 61.300 0.316 0.000 1.381 515 I CB 0.632 38.816 38.000 0.307 0.000 1.417 515 I HN 0.505 nan 8.210 nan 0.000 0.540 516 K N 6.507 127.007 120.400 0.166 0.000 2.484 516 K HA 0.021 4.379 4.320 0.063 0.000 0.280 516 K C -0.420 176.239 176.600 0.099 0.000 1.013 516 K CA 0.328 56.650 56.287 0.059 0.000 1.029 516 K CB 0.273 32.783 32.500 0.017 0.000 0.902 516 K HN 0.698 nan 8.250 nan 0.000 0.481 517 H N 0.000 118.995 119.070 -0.125 0.000 2.539 517 H HA 0.000 4.594 4.556 0.064 0.000 0.296 517 H CA 0.000 55.963 56.048 -0.142 0.000 1.023 517 H CB 0.000 29.659 29.762 -0.172 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496