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 3oe7_1_B DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALNLEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGK HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAKL SEKEGSGSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAA FAQXXSDLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVNGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SFVAT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.595 177.584 0.018 0.000 1.274 25 A CA 0.000 52.051 52.037 0.024 0.000 0.836 25 A CB 0.000 19.021 19.000 0.035 0.000 0.831 26 N N 1.246 119.949 118.700 0.005 0.000 2.315 26 N HA 0.018 4.761 4.740 0.005 0.000 0.270 26 N C 0.240 175.737 175.510 -0.020 0.000 1.329 26 N CA 0.639 53.684 53.050 -0.008 0.000 0.860 26 N CB 0.342 38.821 38.487 -0.013 0.000 1.095 26 N HN 0.580 nan 8.380 nan 0.000 0.487 27 L N 3.596 124.796 121.223 -0.037 0.000 3.017 27 L HA 0.224 4.567 4.340 0.005 0.000 0.255 27 L C 0.834 177.639 176.870 -0.109 0.000 1.247 27 L CA -0.192 54.598 54.840 -0.084 0.000 1.038 27 L CB -0.046 41.948 42.059 -0.108 0.000 1.380 27 L HN 0.502 nan 8.230 nan 0.000 0.548 28 N N -0.848 117.807 118.700 -0.074 0.000 2.430 28 N HA 0.040 4.784 4.740 0.005 0.000 0.235 28 N C 0.965 176.439 175.510 -0.059 0.000 1.108 28 N CA 0.234 53.242 53.050 -0.069 0.000 0.834 28 N CB 0.721 39.178 38.487 -0.051 0.000 1.430 28 N HN 0.152 nan 8.380 nan 0.000 0.463 29 E N 0.775 120.945 120.200 -0.050 0.000 2.481 29 E HA 0.231 4.584 4.350 0.005 0.000 0.198 29 E C -0.216 176.353 176.600 -0.053 0.000 1.027 29 E CA 0.293 56.666 56.400 -0.046 0.000 0.900 29 E CB 0.991 30.670 29.700 -0.034 0.000 0.993 29 E HN 0.084 nan 8.360 nan 0.000 0.482 30 T N -0.307 114.213 114.554 -0.057 0.000 2.923 30 T HA 0.648 5.002 4.350 0.005 0.000 0.311 30 T C -0.360 174.307 174.700 -0.056 0.000 1.183 30 T CA -0.639 61.431 62.100 -0.051 0.000 1.020 30 T CB 2.352 71.203 68.868 -0.028 0.000 1.165 30 T HN 0.112 nan 8.240 nan 0.000 0.482 31 G N 1.267 110.043 108.800 -0.041 0.000 2.672 31 G HA2 0.706 4.670 3.960 0.005 0.000 0.292 31 G HA3 0.706 4.670 3.960 0.005 0.000 0.292 31 G C -1.551 173.385 174.900 0.061 0.000 1.375 31 G CA -0.845 44.252 45.100 -0.006 0.000 0.890 31 G HN 0.480 nan 8.290 nan 0.000 0.476 32 R N 0.203 120.789 120.500 0.143 0.000 2.460 32 R HA 0.438 4.781 4.340 0.005 0.000 0.303 32 R C -0.349 176.053 176.300 0.171 0.000 0.968 32 R CA -0.739 55.454 56.100 0.155 0.000 0.889 32 R CB 1.916 32.317 30.300 0.168 0.000 1.123 32 R HN 0.307 nan 8.270 nan 0.000 0.455 33 V N 5.183 125.190 119.914 0.156 0.000 2.485 33 V HA -0.025 4.098 4.120 0.005 0.000 0.287 33 V C 1.884 178.043 176.094 0.109 0.000 1.022 33 V CA 0.321 62.715 62.300 0.156 0.000 1.067 33 V CB 0.282 32.200 31.823 0.159 0.000 0.967 33 V HN 0.670 nan 8.190 nan 0.000 0.479 34 L N 4.077 125.363 121.223 0.105 0.000 2.102 34 L HA 0.380 4.723 4.340 0.005 0.000 0.202 34 L C 0.985 177.878 176.870 0.037 0.000 1.076 34 L CA 1.361 56.237 54.840 0.060 0.000 0.761 34 L CB -0.045 42.053 42.059 0.066 0.000 0.921 34 L HN 0.791 nan 8.230 nan 0.000 0.444 35 A N -0.989 121.856 122.820 0.042 0.000 2.604 35 A HA 0.636 4.959 4.320 0.005 0.000 0.295 35 A C -1.726 175.866 177.584 0.013 0.000 1.067 35 A CA -0.377 51.672 52.037 0.019 0.000 0.683 35 A CB 1.962 20.969 19.000 0.011 0.000 1.281 35 A HN -0.184 nan 8.150 nan 0.000 0.407 36 V N 0.519 120.427 119.914 -0.010 0.000 2.808 36 V HA 0.955 5.078 4.120 0.005 0.000 0.308 36 V C -0.224 175.846 176.094 -0.040 0.000 1.099 36 V CA 0.790 63.069 62.300 -0.035 0.000 0.920 36 V CB 1.828 33.609 31.823 -0.070 0.000 1.014 36 V HN 2.460 nan 8.190 nan 0.000 0.425 37 G N 3.513 112.286 108.800 -0.046 0.000 2.429 37 G HA2 0.494 4.457 3.960 0.005 0.000 0.300 37 G HA3 0.494 4.457 3.960 0.005 0.000 0.300 37 G C -0.792 174.080 174.900 -0.046 0.000 1.598 37 G CA 0.141 45.215 45.100 -0.043 0.000 0.863 37 G HN 1.020 nan 8.290 nan 0.000 0.614 38 D N -0.709 119.663 120.400 -0.046 0.000 2.911 38 D HA -0.126 4.517 4.640 0.005 0.000 0.227 38 D C 1.704 177.968 176.300 -0.060 0.000 1.164 38 D CA 3.213 57.183 54.000 -0.050 0.000 0.782 38 D CB -1.209 39.563 40.800 -0.047 0.000 1.094 38 D HN 2.288 nan 8.370 nan 0.000 0.425 39 G N -1.403 107.356 108.800 -0.067 0.000 2.176 39 G HA2 -0.268 3.695 3.960 0.005 0.000 0.253 39 G HA3 -0.268 3.695 3.960 0.005 0.000 0.253 39 G C 0.111 174.956 174.900 -0.092 0.000 0.979 39 G CA 0.227 45.278 45.100 -0.082 0.000 0.641 39 G HN 0.475 nan 8.290 nan 0.000 0.530 40 I N 0.890 121.416 120.570 -0.073 0.000 2.378 40 I HA 0.728 4.901 4.170 0.005 0.000 0.291 40 I C 0.510 176.605 176.117 -0.038 0.000 0.992 40 I CA -1.234 60.035 61.300 -0.052 0.000 1.154 40 I CB 1.053 39.030 38.000 -0.038 0.000 1.315 40 I HN 0.319 nan 8.210 nan 0.000 0.448 41 A N 7.187 130.002 122.820 -0.009 0.000 2.290 41 A HA 0.679 5.002 4.320 0.005 0.000 0.310 41 A C 0.061 177.697 177.584 0.087 0.000 1.202 41 A CA -0.646 51.413 52.037 0.036 0.000 0.837 41 A CB 0.578 19.626 19.000 0.079 0.000 1.139 41 A HN 0.724 nan 8.150 nan 0.000 0.509 42 R N 1.520 122.066 120.500 0.077 0.000 2.255 42 R HA 0.539 4.882 4.340 0.005 0.000 0.326 42 R C -1.197 175.175 176.300 0.120 0.000 0.986 42 R CA -0.316 55.835 56.100 0.085 0.000 0.847 42 R CB 1.654 31.989 30.300 0.059 0.000 1.111 42 R HN 0.490 nan 8.270 nan 0.000 0.452 43 V N 4.125 124.117 119.914 0.130 0.000 2.604 43 V HA 0.372 4.495 4.120 0.005 0.000 0.305 43 V C -0.568 175.627 176.094 0.168 0.000 1.043 43 V CA -0.949 61.441 62.300 0.149 0.000 0.888 43 V CB 1.637 33.531 31.823 0.118 0.000 0.995 43 V HN 0.531 nan 8.190 nan 0.000 0.429 44 F N 3.471 123.439 119.950 0.030 0.000 2.384 44 F HA 0.748 5.278 4.527 0.005 0.000 0.338 44 F C 0.911 176.717 175.800 0.011 0.000 1.103 44 F CA 1.235 59.246 58.000 0.018 0.000 1.157 44 F CB 1.042 40.052 39.000 0.017 0.000 1.167 44 F HN 0.953 nan 8.300 nan 0.000 0.529 45 G N 4.173 112.518 108.800 -0.759 0.000 2.520 45 G HA2 -0.243 3.720 3.960 0.005 0.000 0.248 45 G HA3 -0.243 3.720 3.960 0.005 0.000 0.248 45 G C 0.197 174.935 174.900 -0.270 0.000 1.161 45 G CA -0.306 44.432 45.100 -0.604 0.000 0.946 45 G HN 1.422 nan 8.290 nan 0.000 0.565 46 L N 0.046 121.161 121.223 -0.180 0.000 3.739 46 L HA -0.224 4.119 4.340 0.005 0.000 0.442 46 L C 1.683 178.488 176.870 -0.109 0.000 1.241 46 L CA 0.531 55.301 54.840 -0.117 0.000 0.819 46 L CB -1.247 40.757 42.059 -0.091 0.000 1.679 46 L HN 0.637 nan 8.230 nan 0.000 0.889 47 N N 0.391 119.016 118.700 -0.125 0.000 2.104 47 N HA -0.130 4.614 4.740 0.005 0.000 0.190 47 N C 1.180 176.649 175.510 -0.067 0.000 1.024 47 N CA 1.676 54.664 53.050 -0.104 0.000 0.853 47 N CB -0.143 38.281 38.487 -0.106 0.000 1.008 47 N HN 0.560 nan 8.380 nan 0.000 0.424 48 N N 0.788 119.453 118.700 -0.058 0.000 2.362 48 N HA 0.083 4.826 4.740 0.005 0.000 0.204 48 N C 0.322 175.810 175.510 -0.036 0.000 1.166 48 N CA -0.076 52.949 53.050 -0.041 0.000 0.831 48 N CB 0.380 38.845 38.487 -0.036 0.000 1.008 48 N HN 0.352 nan 8.380 nan 0.000 0.472 49 I N 1.005 121.551 120.570 -0.041 0.000 2.696 49 I HA -0.052 4.121 4.170 0.005 0.000 0.284 49 I C 0.200 176.305 176.117 -0.020 0.000 1.129 49 I CA -0.250 61.031 61.300 -0.032 0.000 1.410 49 I CB 0.743 38.721 38.000 -0.037 0.000 1.399 49 I HN 0.017 nan 8.210 nan 0.000 0.579 50 Q N 4.985 124.778 119.800 -0.012 0.000 2.227 50 Q HA 0.546 4.889 4.340 0.005 0.000 0.245 50 Q C -0.212 175.791 176.000 0.005 0.000 0.926 50 Q CA -0.901 54.900 55.803 -0.003 0.000 0.895 50 Q CB 1.425 30.162 28.738 -0.001 0.000 1.230 50 Q HN 0.766 nan 8.270 nan 0.000 0.450 51 A N 1.751 124.576 122.820 0.010 0.000 2.531 51 A HA 0.014 4.337 4.320 0.005 0.000 0.236 51 A C 0.107 177.707 177.584 0.027 0.000 1.062 51 A CA 0.243 52.292 52.037 0.019 0.000 0.760 51 A CB -0.226 18.786 19.000 0.020 0.000 0.995 51 A HN 0.963 nan 8.150 nan 0.000 0.501 52 E N -0.767 119.458 120.200 0.041 0.000 3.170 52 E HA -0.229 4.124 4.350 0.005 0.000 0.284 52 E C 0.164 176.800 176.600 0.060 0.000 0.967 52 E CA 1.212 57.648 56.400 0.059 0.000 0.919 52 E CB -1.370 28.358 29.700 0.047 0.000 1.469 52 E HN 0.881 nan 8.360 nan 0.000 0.444 53 E N 0.865 121.092 120.200 0.045 0.000 2.338 53 E HA 0.242 4.595 4.350 0.005 0.000 0.272 53 E C -0.297 176.340 176.600 0.061 0.000 1.029 53 E CA -0.532 55.889 56.400 0.036 0.000 0.872 53 E CB 0.640 30.347 29.700 0.011 0.000 1.015 53 E HN 0.068 nan 8.360 nan 0.000 0.417 54 L N 5.160 126.417 121.223 0.058 0.000 2.426 54 L HA 0.189 4.532 4.340 0.005 0.000 0.271 54 L C -0.483 176.406 176.870 0.031 0.000 1.169 54 L CA 0.074 54.963 54.840 0.082 0.000 0.836 54 L CB 1.264 43.348 42.059 0.043 0.000 1.112 54 L HN 0.428 nan 8.230 nan 0.000 0.465 55 V N 0.878 120.810 119.914 0.030 0.000 3.126 55 V HA 0.700 4.823 4.120 0.005 0.000 0.314 55 V C -0.780 175.252 176.094 -0.103 0.000 1.138 55 V CA -0.842 61.397 62.300 -0.101 0.000 1.034 55 V CB 1.860 33.528 31.823 -0.259 0.000 1.075 55 V HN 0.818 nan 8.190 nan 0.000 0.442 56 E N 0.637 120.721 120.200 -0.193 0.000 2.241 56 E HA 0.555 4.909 4.350 0.005 0.000 0.263 56 E C -1.796 174.698 176.600 -0.177 0.000 0.882 56 E CA -0.596 55.751 56.400 -0.090 0.000 0.769 56 E CB 1.774 31.463 29.700 -0.019 0.000 1.185 56 E HN 0.635 nan 8.360 nan 0.000 0.415 57 F N 1.339 121.318 119.950 0.048 0.000 2.380 57 F HA 0.176 4.706 4.527 0.005 0.000 0.321 57 F C 1.933 177.754 175.800 0.034 0.000 1.103 57 F CA -0.191 57.834 58.000 0.041 0.000 1.067 57 F CB 1.298 40.325 39.000 0.044 0.000 1.265 57 F HN 0.469 nan 8.300 nan 0.000 0.517 58 S N 0.471 116.315 115.700 0.240 0.000 2.378 58 S HA -0.263 4.210 4.470 0.005 0.000 0.229 58 S C 2.143 176.814 174.600 0.119 0.000 1.052 58 S CA 2.189 60.472 58.200 0.137 0.000 1.084 58 S CB -0.552 62.718 63.200 0.118 0.000 0.950 58 S HN 0.752 nan 8.310 nan 0.000 0.440 59 S N -0.361 115.419 115.700 0.134 0.000 2.515 59 S HA 0.274 4.747 4.470 0.005 0.000 0.231 59 S C 1.575 176.230 174.600 0.092 0.000 0.987 59 S CA 1.089 59.343 58.200 0.090 0.000 0.936 59 S CB -0.026 63.212 63.200 0.063 0.000 0.766 59 S HN 0.925 nan 8.310 nan 0.000 0.528 60 G N 0.121 108.996 108.800 0.125 0.000 2.259 60 G HA2 -0.240 3.723 3.960 0.005 0.000 0.217 60 G HA3 -0.240 3.723 3.960 0.005 0.000 0.217 60 G C 0.169 175.151 174.900 0.137 0.000 1.001 60 G CA -0.118 45.047 45.100 0.108 0.000 0.627 60 G HN 0.869 nan 8.290 nan 0.000 0.501 61 V N 1.854 121.866 119.914 0.164 0.000 2.872 61 V HA 0.503 4.626 4.120 0.005 0.000 0.307 61 V C 0.652 176.948 176.094 0.336 0.000 1.072 61 V CA 0.516 62.930 62.300 0.191 0.000 1.148 61 V CB 1.029 32.917 31.823 0.109 0.000 0.954 61 V HN 0.372 nan 8.190 nan 0.000 0.490 62 K N 3.792 124.389 120.400 0.328 0.000 2.211 62 K HA 0.817 5.140 4.320 0.005 0.000 0.237 62 K C -0.120 176.838 176.600 0.596 0.000 1.002 62 K CA -0.238 56.282 56.287 0.388 0.000 0.885 62 K CB 1.947 34.575 32.500 0.214 0.000 1.136 62 K HN 0.917 nan 8.250 nan 0.000 0.448 63 G N 0.340 109.492 108.800 0.586 0.000 2.684 63 G HA2 0.533 4.496 3.960 0.005 0.000 0.290 63 G HA3 0.533 4.496 3.960 0.005 0.000 0.290 63 G C -1.835 173.335 174.900 0.449 0.000 1.425 63 G CA -0.761 44.671 45.100 0.555 0.000 0.822 63 G HN 0.498 nan 8.290 nan 0.000 0.482 64 M N 1.303 121.068 119.600 0.275 0.000 2.311 64 M HA 0.705 5.188 4.480 0.005 0.000 0.325 64 M C -0.040 176.330 176.300 0.117 0.000 1.061 64 M CA -0.874 54.576 55.300 0.250 0.000 0.957 64 M CB 1.836 34.619 32.600 0.306 0.000 1.646 64 M HN 0.730 nan 8.290 nan 0.000 0.434 65 A N 4.942 127.817 122.820 0.092 0.000 2.457 65 A HA 0.293 4.616 4.320 0.005 0.000 0.298 65 A C 0.225 177.839 177.584 0.049 0.000 1.288 65 A CA -0.413 51.656 52.037 0.054 0.000 0.956 65 A CB -0.145 18.873 19.000 0.030 0.000 1.135 65 A HN 1.030 nan 8.150 nan 0.000 0.535 66 L N 2.737 123.983 121.223 0.038 0.000 2.200 66 L HA 0.221 4.564 4.340 0.005 0.000 0.200 66 L C 0.555 177.440 176.870 0.025 0.000 1.072 66 L CA 1.475 56.334 54.840 0.031 0.000 0.787 66 L CB -0.043 42.022 42.059 0.010 0.000 0.957 66 L HN 0.859 nan 8.230 nan 0.000 0.459 67 N N -0.586 118.126 118.700 0.020 0.000 2.371 67 N HA 0.481 5.224 4.740 0.005 0.000 0.291 67 N C -1.703 173.817 175.510 0.016 0.000 1.053 67 N CA -0.584 52.476 53.050 0.017 0.000 0.870 67 N CB 1.049 39.544 38.487 0.013 0.000 1.503 67 N HN 0.057 nan 8.380 nan 0.000 0.485 68 L N 0.924 122.155 121.223 0.013 0.000 2.296 68 L HA 0.591 4.934 4.340 0.005 0.000 0.286 68 L C -0.031 176.844 176.870 0.008 0.000 1.023 68 L CA -0.684 54.160 54.840 0.007 0.000 0.812 68 L CB 1.214 43.273 42.059 0.000 0.000 1.223 68 L HN 0.596 nan 8.230 nan 0.000 0.421 69 E N 2.976 123.182 120.200 0.010 0.000 2.378 69 E HA 0.515 4.868 4.350 0.005 0.000 0.265 69 E C -2.528 174.080 176.600 0.013 0.000 0.932 69 E CA -2.035 54.373 56.400 0.014 0.000 0.795 69 E CB 1.417 31.130 29.700 0.022 0.000 1.296 69 E HN 0.381 nan 8.360 nan 0.000 0.438 70 P HA -0.000 nan 4.420 nan 0.000 0.266 70 P C 0.647 177.974 177.300 0.045 0.000 1.195 70 P CA 0.695 63.809 63.100 0.023 0.000 0.768 70 P CB 0.481 32.196 31.700 0.026 0.000 0.838 71 G N 1.540 110.376 108.800 0.059 0.000 2.284 71 G HA2 -0.240 3.723 3.960 0.005 0.000 0.261 71 G HA3 -0.240 3.723 3.960 0.005 0.000 0.261 71 G C -0.023 174.987 174.900 0.182 0.000 0.997 71 G CA 0.809 45.997 45.100 0.146 0.000 0.621 71 G HN 0.952 nan 8.290 nan 0.000 0.534 72 Q N -1.928 117.925 119.800 0.088 0.000 2.647 72 Q HA 0.655 4.999 4.340 0.005 0.000 0.283 72 Q C -1.608 174.416 176.000 0.040 0.000 0.943 72 Q CA -1.111 54.745 55.803 0.089 0.000 0.813 72 Q CB 1.816 30.625 28.738 0.119 0.000 1.477 72 Q HN 0.534 nan 8.270 nan 0.000 0.393 73 V N 0.864 120.801 119.914 0.039 0.000 2.495 73 V HA 0.719 4.842 4.120 0.005 0.000 0.298 73 V C 0.246 176.369 176.094 0.047 0.000 1.031 73 V CA -0.194 62.123 62.300 0.029 0.000 0.871 73 V CB 1.712 33.541 31.823 0.010 0.000 0.988 73 V HN 0.848 nan 8.190 nan 0.000 0.432 74 G N 4.990 113.813 108.800 0.038 0.000 2.333 74 G HA2 0.628 4.591 3.960 0.005 0.000 0.290 74 G HA3 0.628 4.591 3.960 0.005 0.000 0.290 74 G C -0.680 174.246 174.900 0.044 0.000 1.150 74 G CA -0.231 44.892 45.100 0.038 0.000 0.895 74 G HN 0.608 nan 8.290 nan 0.000 0.444 75 I N 2.517 123.129 120.570 0.070 0.000 2.406 75 I HA 0.174 4.347 4.170 0.005 0.000 0.290 75 I C -0.161 175.980 176.117 0.041 0.000 0.999 75 I CA -0.941 60.416 61.300 0.095 0.000 1.124 75 I CB 2.371 40.502 38.000 0.219 0.000 1.289 75 I HN 0.074 nan 8.210 nan 0.000 0.441 76 V N 7.143 127.036 119.914 -0.036 0.000 2.455 76 V HA 0.212 4.335 4.120 0.005 0.000 0.273 76 V C 0.418 176.359 176.094 -0.255 0.000 1.045 76 V CA -0.417 61.789 62.300 -0.157 0.000 0.976 76 V CB 0.959 32.651 31.823 -0.218 0.000 0.993 76 V HN 0.457 nan 8.190 nan 0.000 0.475 77 L N 5.295 126.394 121.223 -0.207 0.000 2.331 77 L HA 0.324 4.667 4.340 0.005 0.000 0.278 77 L C 0.207 176.941 176.870 -0.227 0.000 1.106 77 L CA -0.089 54.653 54.840 -0.163 0.000 0.824 77 L CB 0.465 42.435 42.059 -0.149 0.000 1.142 77 L HN 0.574 nan 8.230 nan 0.000 0.443 78 F N 1.883 121.887 119.950 0.091 0.000 2.777 78 F HA 0.351 4.881 4.527 0.005 0.000 0.291 78 F C 1.105 176.940 175.800 0.059 0.000 1.187 78 F CA -0.199 57.854 58.000 0.088 0.000 1.406 78 F CB 0.225 39.287 39.000 0.104 0.000 0.982 78 F HN 0.545 nan 8.300 nan 0.000 0.509 79 G N -1.268 107.611 108.800 0.131 0.000 2.570 79 G HA2 0.317 4.280 3.960 0.005 0.000 0.310 79 G HA3 0.317 4.280 3.960 0.005 0.000 0.310 79 G C -1.254 173.655 174.900 0.014 0.000 1.266 79 G CA -0.733 44.414 45.100 0.079 0.000 0.825 79 G HN -0.091 nan 8.290 nan 0.000 0.483 80 S N -0.457 115.244 115.700 0.003 0.000 2.564 80 S HA 0.254 4.727 4.470 0.005 0.000 0.278 80 S C 1.028 175.593 174.600 -0.057 0.000 1.333 80 S CA 0.053 58.241 58.200 -0.020 0.000 1.048 80 S CB 0.609 63.803 63.200 -0.010 0.000 0.900 80 S HN 0.405 nan 8.310 nan 0.000 0.505 81 D N 3.398 123.760 120.400 -0.064 0.000 2.182 81 D HA -0.147 4.496 4.640 0.005 0.000 0.201 81 D C 1.883 178.132 176.300 -0.085 0.000 0.986 81 D CA 0.913 54.859 54.000 -0.090 0.000 0.847 81 D CB -0.266 40.492 40.800 -0.070 0.000 0.942 81 D HN 0.665 nan 8.370 nan 0.000 0.467 82 R N 0.861 121.328 120.500 -0.056 0.000 2.134 82 R HA -0.169 4.174 4.340 0.005 0.000 0.248 82 R C 2.154 178.422 176.300 -0.052 0.000 1.143 82 R CA 1.202 57.276 56.100 -0.043 0.000 0.957 82 R CB -0.448 29.836 30.300 -0.025 0.000 0.867 82 R HN 0.190 nan 8.270 nan 0.000 0.441 83 L N 0.515 121.700 121.223 -0.062 0.000 2.549 83 L HA 0.011 4.354 4.340 0.005 0.000 0.230 83 L C 0.061 176.867 176.870 -0.106 0.000 1.162 83 L CA 0.126 54.930 54.840 -0.061 0.000 0.834 83 L CB 0.051 42.083 42.059 -0.045 0.000 0.947 83 L HN -0.016 nan 8.230 nan 0.000 0.452 84 V N -0.248 119.568 119.914 -0.164 0.000 2.604 84 V HA 0.396 4.519 4.120 0.005 0.000 0.305 84 V C -0.186 175.849 176.094 -0.099 0.000 1.043 84 V CA -0.846 61.330 62.300 -0.207 0.000 0.888 84 V CB 2.102 33.633 31.823 -0.487 0.000 0.995 84 V HN 0.088 nan 8.190 nan 0.000 0.429 85 K N 2.032 122.410 120.400 -0.037 0.000 2.435 85 K HA 0.439 4.762 4.320 0.005 0.000 0.251 85 K C -0.619 175.993 176.600 0.020 0.000 0.954 85 K CA -0.832 55.450 56.287 -0.008 0.000 0.820 85 K CB 2.777 35.279 32.500 0.004 0.000 1.292 85 K HN 0.795 nan 8.250 nan 0.000 0.436 86 E N 0.699 120.909 120.200 0.016 0.000 2.417 86 E HA 0.054 4.407 4.350 0.005 0.000 0.261 86 E C 0.376 176.997 176.600 0.035 0.000 1.000 86 E CA 1.042 57.460 56.400 0.029 0.000 0.919 86 E CB 0.181 29.889 29.700 0.015 0.000 0.955 86 E HN 0.799 nan 8.360 nan 0.000 0.455 87 G N 4.085 112.917 108.800 0.053 0.000 2.278 87 G HA2 -0.235 3.728 3.960 0.005 0.000 0.210 87 G HA3 -0.235 3.728 3.960 0.005 0.000 0.210 87 G C 0.079 175.021 174.900 0.069 0.000 1.000 87 G CA -0.006 45.125 45.100 0.051 0.000 0.635 87 G HN 0.600 nan 8.290 nan 0.000 0.495 88 E N 0.192 120.444 120.200 0.086 0.000 2.404 88 E HA 0.432 4.785 4.350 0.005 0.000 0.261 88 E C 0.011 176.684 176.600 0.121 0.000 1.074 88 E CA -0.504 55.959 56.400 0.106 0.000 0.917 88 E CB 1.193 30.972 29.700 0.132 0.000 0.965 88 E HN 0.233 nan 8.360 nan 0.000 0.433 89 L N 2.547 123.829 121.223 0.098 0.000 2.397 89 L HA 0.124 4.467 4.340 0.005 0.000 0.271 89 L C -0.958 175.940 176.870 0.047 0.000 1.148 89 L CA 0.058 54.938 54.840 0.066 0.000 0.825 89 L CB 1.087 43.172 42.059 0.043 0.000 1.117 89 L HN 0.199 nan 8.230 nan 0.000 0.456 90 V N 4.368 124.264 119.914 -0.030 0.000 2.531 90 V HA 0.472 4.595 4.120 0.005 0.000 0.301 90 V C -0.378 175.615 176.094 -0.169 0.000 1.034 90 V CA -1.018 61.163 62.300 -0.200 0.000 0.865 90 V CB 1.578 33.214 31.823 -0.313 0.000 0.995 90 V HN 0.624 nan 8.190 nan 0.000 0.424 91 K N 3.753 124.040 120.400 -0.187 0.000 2.206 91 K HA 0.585 4.908 4.320 0.005 0.000 0.264 91 K C -0.155 176.372 176.600 -0.121 0.000 0.967 91 K CA -0.812 55.405 56.287 -0.116 0.000 0.844 91 K CB 2.156 34.613 32.500 -0.072 0.000 1.099 91 K HN 0.559 nan 8.250 nan 0.000 0.441 92 R N 0.510 120.958 120.500 -0.086 0.000 2.784 92 R HA 0.029 4.372 4.340 0.005 0.000 0.266 92 R C 0.523 176.793 176.300 -0.050 0.000 1.044 92 R CA 0.455 56.515 56.100 -0.067 0.000 1.151 92 R CB 0.460 30.729 30.300 -0.051 0.000 1.037 92 R HN 0.680 nan 8.270 nan 0.000 0.478 93 T N -0.819 113.712 114.554 -0.037 0.000 2.964 93 T HA 0.128 4.481 4.350 0.005 0.000 0.249 93 T C 0.953 175.641 174.700 -0.020 0.000 1.000 93 T CA 0.350 62.434 62.100 -0.026 0.000 0.992 93 T CB 0.633 69.490 68.868 -0.019 0.000 1.087 93 T HN 0.878 nan 8.240 nan 0.000 0.489 94 G N 2.932 111.720 108.800 -0.019 0.000 2.249 94 G HA2 -0.224 3.740 3.960 0.005 0.000 0.273 94 G HA3 -0.224 3.740 3.960 0.005 0.000 0.273 94 G C -0.321 174.572 174.900 -0.011 0.000 1.036 94 G CA -0.179 44.912 45.100 -0.015 0.000 0.824 94 G HN 0.444 nan 8.290 nan 0.000 0.504 95 N N -0.063 118.632 118.700 -0.008 0.000 2.480 95 N HA 0.381 5.125 4.740 0.005 0.000 0.289 95 N C 0.291 175.802 175.510 0.001 0.000 1.073 95 N CA -0.718 52.328 53.050 -0.006 0.000 0.885 95 N CB 1.096 39.576 38.487 -0.011 0.000 1.421 95 N HN 0.043 nan 8.380 nan 0.000 0.503 96 I N 1.532 122.103 120.570 0.002 0.000 2.752 96 I HA -0.004 4.169 4.170 0.005 0.000 0.287 96 I C 0.967 177.087 176.117 0.005 0.000 1.188 96 I CA -0.259 61.047 61.300 0.009 0.000 1.427 96 I CB -0.025 37.977 38.000 0.003 0.000 1.365 96 I HN 0.180 nan 8.210 nan 0.000 0.585 97 V N 6.966 126.892 119.914 0.020 0.000 2.621 97 V HA -0.106 4.017 4.120 0.005 0.000 0.300 97 V C 0.397 176.476 176.094 -0.025 0.000 1.031 97 V CA 0.504 62.806 62.300 0.002 0.000 1.210 97 V CB -0.943 30.906 31.823 0.043 0.000 0.864 97 V HN 0.939 nan 8.190 nan 0.000 0.477 98 D N 4.430 124.806 120.400 -0.040 0.000 2.636 98 D HA 0.772 5.415 4.640 0.005 0.000 0.275 98 D C -0.670 175.603 176.300 -0.045 0.000 1.130 98 D CA -0.587 53.393 54.000 -0.033 0.000 1.031 98 D CB 2.283 43.069 40.800 -0.022 0.000 1.451 98 D HN 0.431 nan 8.370 nan 0.000 0.505 99 V N -5.129 114.767 119.914 -0.031 0.000 3.147 99 V HA 0.649 4.772 4.120 0.005 0.000 0.306 99 V C -2.999 173.074 176.094 -0.034 0.000 1.209 99 V CA -2.263 60.016 62.300 -0.035 0.000 1.023 99 V CB 1.676 33.484 31.823 -0.026 0.000 1.059 99 V HN 0.442 nan 8.190 nan 0.000 0.435 100 P HA 0.413 nan 4.420 nan 0.000 0.271 100 P C -0.367 176.885 177.300 -0.080 0.000 1.226 100 P CA 0.075 63.138 63.100 -0.061 0.000 0.765 100 P CB 1.037 32.699 31.700 -0.064 0.000 0.835 101 V N 0.586 120.433 119.914 -0.113 0.000 3.181 101 V HA 1.036 5.159 4.120 0.005 0.000 0.314 101 V C 0.206 176.044 176.094 -0.427 0.000 1.173 101 V CA -0.333 61.855 62.300 -0.187 0.000 1.052 101 V CB 1.269 33.047 31.823 -0.075 0.000 1.123 101 V HN 0.896 nan 8.190 nan 0.000 0.454 102 G N 0.311 108.600 108.800 -0.853 0.000 2.353 102 G HA2 0.139 4.102 3.960 0.005 0.000 0.615 102 G HA3 0.139 4.102 3.960 0.005 0.000 0.615 102 G C -2.719 171.392 174.900 -1.316 0.000 1.280 102 G CA 0.002 44.160 45.100 -1.571 0.000 1.000 102 G HN 0.768 nan 8.290 nan 0.000 0.516 103 P HA 0.139 nan 4.420 nan 0.000 0.245 103 P C 1.564 178.696 177.300 -0.281 0.000 1.206 103 P CA 1.410 64.127 63.100 -0.638 0.000 0.781 103 P CB 0.190 31.578 31.700 -0.521 0.000 0.994 104 G N 0.046 108.673 108.800 -0.288 0.000 2.744 104 G HA2 -0.059 3.904 3.960 0.005 0.000 0.211 104 G HA3 -0.059 3.904 3.960 0.005 0.000 0.211 104 G C 1.086 175.925 174.900 -0.101 0.000 1.143 104 G CA 0.168 45.175 45.100 -0.154 0.000 0.788 104 G HN 0.160 nan 8.290 nan 0.000 0.534 105 L N -0.127 121.033 121.223 -0.105 0.000 2.529 105 L HA 0.347 4.690 4.340 0.005 0.000 0.223 105 L C 0.729 177.606 176.870 0.012 0.000 1.113 105 L CA -0.059 54.755 54.840 -0.044 0.000 0.861 105 L CB -0.349 41.683 42.059 -0.044 0.000 1.012 105 L HN -0.007 nan 8.230 nan 0.000 0.461 106 L N 0.833 122.077 121.223 0.036 0.000 2.559 106 L HA 0.278 4.621 4.340 0.005 0.000 0.274 106 L C 1.471 178.363 176.870 0.038 0.000 1.205 106 L CA 1.324 56.208 54.840 0.074 0.000 0.907 106 L CB -0.441 41.688 42.059 0.117 0.000 1.153 106 L HN 0.397 nan 8.230 nan 0.000 0.490 107 G N 1.622 110.435 108.800 0.022 0.000 2.195 107 G HA2 -0.217 3.746 3.960 0.005 0.000 0.246 107 G HA3 -0.217 3.746 3.960 0.005 0.000 0.246 107 G C 0.568 175.464 174.900 -0.007 0.000 0.984 107 G CA -0.347 44.750 45.100 -0.005 0.000 0.633 107 G HN 0.426 nan 8.290 nan 0.000 0.525 108 R N -0.322 120.179 120.500 0.002 0.000 2.596 108 R HA 0.731 5.074 4.340 0.005 0.000 0.267 108 R C -0.259 176.046 176.300 0.009 0.000 1.026 108 R CA -0.687 55.413 56.100 0.000 0.000 1.087 108 R CB 1.482 31.780 30.300 -0.005 0.000 1.132 108 R HN 0.262 nan 8.270 nan 0.000 0.531 109 V N 2.229 122.149 119.914 0.009 0.000 2.407 109 V HA 0.364 4.487 4.120 0.005 0.000 0.291 109 V C -0.025 176.079 176.094 0.016 0.000 1.018 109 V CA -0.780 61.532 62.300 0.020 0.000 0.842 109 V CB 1.626 33.463 31.823 0.022 0.000 0.996 109 V HN 0.594 nan 8.190 nan 0.000 0.426 110 V N 1.217 121.142 119.914 0.019 0.000 3.046 110 V HA 0.853 4.976 4.120 0.005 0.000 0.316 110 V C -0.363 175.740 176.094 0.015 0.000 1.104 110 V CA -0.854 61.452 62.300 0.010 0.000 1.006 110 V CB 2.101 33.925 31.823 0.000 0.000 1.058 110 V HN 0.803 nan 8.190 nan 0.000 0.440 111 D N 1.567 121.972 120.400 0.008 0.000 2.451 111 D HA 0.542 5.185 4.640 0.005 0.000 0.259 111 D C 1.250 177.549 176.300 -0.003 0.000 1.201 111 D CA 0.037 54.043 54.000 0.011 0.000 1.028 111 D CB 1.179 41.987 40.800 0.014 0.000 1.095 111 D HN 0.808 nan 8.370 nan 0.000 0.539 112 A N -0.330 122.491 122.820 0.000 0.000 1.948 112 A HA -0.139 4.184 4.320 0.005 0.000 0.220 112 A C 2.218 179.762 177.584 -0.066 0.000 1.177 112 A CA 1.348 53.376 52.037 -0.015 0.000 0.636 112 A CB -1.005 18.003 19.000 0.014 0.000 0.815 112 A HN 0.567 nan 8.150 nan 0.000 0.449 113 L N -1.351 119.810 121.223 -0.102 0.000 2.599 113 L HA 0.208 4.551 4.340 0.005 0.000 0.230 113 L C 1.575 178.396 176.870 -0.082 0.000 1.141 113 L CA 0.510 55.264 54.840 -0.143 0.000 0.877 113 L CB -0.121 41.821 42.059 -0.195 0.000 1.009 113 L HN 0.598 nan 8.230 nan 0.000 0.447 114 G N -0.312 108.458 108.800 -0.050 0.000 2.132 114 G HA2 -0.246 3.717 3.960 0.005 0.000 0.234 114 G HA3 -0.246 3.717 3.960 0.005 0.000 0.234 114 G C 0.035 174.918 174.900 -0.030 0.000 0.989 114 G CA -0.415 44.664 45.100 -0.035 0.000 0.676 114 G HN 0.352 nan 8.290 nan 0.000 0.522 115 N N 1.967 120.651 118.700 -0.027 0.000 2.497 115 N HA 0.322 5.065 4.740 0.005 0.000 0.271 115 N C -2.408 173.097 175.510 -0.008 0.000 1.142 115 N CA -0.806 52.233 53.050 -0.017 0.000 0.965 115 N CB 1.386 39.865 38.487 -0.012 0.000 1.077 115 N HN 0.181 nan 8.380 nan 0.000 0.462 116 P HA 0.085 nan 4.420 nan 0.000 0.271 116 P C 0.424 177.725 177.300 0.001 0.000 1.233 116 P CA 0.053 63.150 63.100 -0.005 0.000 0.764 116 P CB 0.309 32.004 31.700 -0.009 0.000 0.825 117 I N 0.065 120.639 120.570 0.006 0.000 4.240 117 I HA 0.181 4.354 4.170 0.005 0.000 0.331 117 I C 0.749 176.871 176.117 0.009 0.000 1.381 117 I CA -0.130 61.176 61.300 0.010 0.000 1.136 117 I CB -0.070 37.940 38.000 0.016 0.000 1.137 117 I HN 0.012 nan 8.210 nan 0.000 0.411 118 D N 1.669 122.073 120.400 0.006 0.000 2.363 118 D HA 0.097 4.740 4.640 0.005 0.000 0.226 118 D C 1.714 178.014 176.300 0.000 0.000 1.020 118 D CA 0.706 54.708 54.000 0.003 0.000 0.892 118 D CB -0.211 40.589 40.800 -0.000 0.000 0.900 118 D HN 0.485 nan 8.370 nan 0.000 0.531 119 G N 0.683 109.483 108.800 0.001 0.000 2.147 119 G HA2 -0.350 3.613 3.960 0.005 0.000 0.244 119 G HA3 -0.350 3.613 3.960 0.005 0.000 0.244 119 G C 0.753 175.652 174.900 -0.003 0.000 1.005 119 G CA 0.360 45.460 45.100 -0.000 0.000 0.713 119 G HN 0.460 nan 8.290 nan 0.000 0.515 120 K N 0.113 120.510 120.400 -0.004 0.000 2.372 120 K HA 0.451 4.774 4.320 0.005 0.000 0.200 120 K C 1.450 178.045 176.600 -0.008 0.000 1.022 120 K CA 0.420 56.703 56.287 -0.007 0.000 1.125 120 K CB 0.535 33.030 32.500 -0.008 0.000 0.855 120 K HN 1.427 nan 8.250 nan 0.000 0.524 121 G N 2.287 111.082 108.800 -0.007 0.000 2.627 121 G HA2 -0.188 3.775 3.960 0.005 0.000 0.214 121 G HA3 -0.188 3.775 3.960 0.005 0.000 0.214 121 G C -2.786 172.106 174.900 -0.012 0.000 1.331 121 G CA -1.267 43.827 45.100 -0.009 0.000 0.891 121 G HN -0.032 nan 8.290 nan 0.000 0.539 122 P HA 0.346 nan 4.420 nan 0.000 0.265 122 P C 0.386 177.671 177.300 -0.025 0.000 1.193 122 P CA -0.325 62.764 63.100 -0.018 0.000 0.765 122 P CB 0.369 32.058 31.700 -0.018 0.000 0.823 123 I N 3.077 123.629 120.570 -0.030 0.000 2.452 123 I HA -0.003 4.170 4.170 0.005 0.000 0.287 123 I C 0.804 176.890 176.117 -0.053 0.000 1.079 123 I CA 0.144 61.419 61.300 -0.041 0.000 1.387 123 I CB 0.078 38.052 38.000 -0.044 0.000 1.404 123 I HN 0.362 nan 8.210 nan 0.000 0.522 124 D N 6.780 127.143 120.400 -0.061 0.000 2.435 124 D HA 0.349 4.992 4.640 0.005 0.000 0.230 124 D C -0.144 176.090 176.300 -0.111 0.000 1.215 124 D CA -0.121 53.835 54.000 -0.073 0.000 0.947 124 D CB 0.372 41.133 40.800 -0.066 0.000 1.048 124 D HN 0.580 nan 8.370 nan 0.000 0.512 125 A N 2.767 125.524 122.820 -0.106 0.000 2.305 125 A HA 0.638 4.961 4.320 0.005 0.000 0.322 125 A C 1.050 178.554 177.584 -0.133 0.000 1.187 125 A CA -0.194 51.759 52.037 -0.140 0.000 0.825 125 A CB 1.433 20.368 19.000 -0.108 0.000 1.164 125 A HN 0.561 nan 8.150 nan 0.000 0.498 126 A N 1.785 124.489 122.820 -0.193 0.000 2.119 126 A HA 0.490 4.813 4.320 0.005 0.000 0.216 126 A C 1.188 178.744 177.584 -0.046 0.000 1.152 126 A CA 1.671 53.636 52.037 -0.120 0.000 0.708 126 A CB -0.331 18.576 19.000 -0.154 0.000 0.805 126 A HN 2.137 nan 8.150 nan 0.000 0.460 127 G N -1.477 107.287 108.800 -0.060 0.000 2.364 127 G HA2 0.510 4.473 3.960 0.005 0.000 0.286 127 G HA3 0.510 4.473 3.960 0.005 0.000 0.286 127 G C -1.412 173.472 174.900 -0.027 0.000 1.241 127 G CA -0.961 44.129 45.100 -0.018 0.000 0.887 127 G HN 0.152 nan 8.290 nan 0.000 0.484 128 R N 0.336 120.832 120.500 -0.005 0.000 2.631 128 R HA 0.514 4.857 4.340 0.005 0.000 0.289 128 R C -0.801 175.502 176.300 0.005 0.000 1.303 128 R CA -0.467 55.627 56.100 -0.010 0.000 0.989 128 R CB 1.753 32.043 30.300 -0.017 0.000 1.208 128 R HN 0.453 nan 8.270 nan 0.000 0.461 129 S N 1.944 117.653 115.700 0.015 0.000 2.601 129 S HA 0.318 4.791 4.470 0.005 0.000 0.271 129 S C 0.473 175.077 174.600 0.007 0.000 1.305 129 S CA -0.609 57.603 58.200 0.020 0.000 1.022 129 S CB 0.951 64.174 63.200 0.039 0.000 0.940 129 S HN 0.348 nan 8.310 nan 0.000 0.525 130 R N 0.649 121.151 120.500 0.004 0.000 2.784 130 R HA 0.199 4.542 4.340 0.005 0.000 0.266 130 R C 1.381 177.678 176.300 -0.006 0.000 1.044 130 R CA 0.118 56.214 56.100 -0.007 0.000 1.151 130 R CB 0.132 30.426 30.300 -0.011 0.000 1.037 130 R HN 0.772 nan 8.270 nan 0.000 0.478 131 A N 2.328 125.135 122.820 -0.023 0.000 1.854 131 A HA -0.081 4.242 4.320 0.005 0.000 0.214 131 A C 0.426 177.972 177.584 -0.062 0.000 1.192 131 A CA 1.030 53.054 52.037 -0.022 0.000 0.611 131 A CB 0.066 19.038 19.000 -0.047 0.000 0.832 131 A HN 0.536 nan 8.150 nan 0.000 0.442 132 Q N 0.327 120.047 119.800 -0.134 0.000 2.314 132 Q HA 0.511 4.854 4.340 0.005 0.000 0.257 132 Q C -1.222 174.738 176.000 -0.065 0.000 0.975 132 Q CA 0.098 55.799 55.803 -0.170 0.000 0.933 132 Q CB 1.326 29.932 28.738 -0.220 0.000 1.195 132 Q HN 0.167 nan 8.270 nan 0.000 0.426 133 V N 2.600 122.496 119.914 -0.030 0.000 2.709 133 V HA 0.308 4.431 4.120 0.005 0.000 0.308 133 V C -0.048 176.052 176.094 0.011 0.000 1.062 133 V CA -0.971 61.329 62.300 -0.000 0.000 0.901 133 V CB 2.657 34.491 31.823 0.019 0.000 1.003 133 V HN 0.625 nan 8.190 nan 0.000 0.425 134 K N 2.389 122.799 120.400 0.016 0.000 2.326 134 K HA 0.621 4.944 4.320 0.005 0.000 0.275 134 K C 0.234 176.854 176.600 0.033 0.000 1.018 134 K CA -0.008 56.297 56.287 0.029 0.000 0.962 134 K CB 1.016 33.535 32.500 0.031 0.000 0.953 134 K HN 0.900 nan 8.250 nan 0.000 0.475 135 A N 4.806 127.651 122.820 0.041 0.000 2.351 135 A HA 0.312 4.635 4.320 0.005 0.000 0.257 135 A C -2.111 175.493 177.584 0.034 0.000 1.087 135 A CA -1.278 50.784 52.037 0.040 0.000 0.798 135 A CB -0.319 18.709 19.000 0.046 0.000 1.033 135 A HN 0.624 nan 8.150 nan 0.000 0.488 136 P HA 0.133 nan 4.420 nan 0.000 0.265 136 P C 0.605 177.921 177.300 0.027 0.000 1.193 136 P CA 0.467 63.581 63.100 0.024 0.000 0.765 136 P CB 0.372 32.084 31.700 0.021 0.000 0.823 137 G N 1.539 110.353 108.800 0.023 0.000 2.485 137 G HA2 0.150 4.113 3.960 0.005 0.000 0.260 137 G HA3 0.150 4.113 3.960 0.005 0.000 0.260 137 G C 1.086 176.000 174.900 0.024 0.000 1.459 137 G CA -0.538 44.577 45.100 0.025 0.000 1.060 137 G HN 0.333 nan 8.290 nan 0.000 0.546 138 I N -0.896 119.688 120.570 0.023 0.000 2.226 138 I HA -0.091 4.082 4.170 0.005 0.000 0.245 138 I C 2.577 178.706 176.117 0.019 0.000 1.100 138 I CA 0.758 62.071 61.300 0.022 0.000 1.374 138 I CB -0.270 37.742 38.000 0.020 0.000 1.057 138 I HN 0.237 nan 8.210 nan 0.000 0.413 139 L N 0.688 121.921 121.223 0.016 0.000 2.068 139 L HA -0.006 4.337 4.340 0.005 0.000 0.204 139 L C -0.610 176.268 176.870 0.012 0.000 1.076 139 L CA 1.785 56.633 54.840 0.012 0.000 0.753 139 L CB -1.645 40.420 42.059 0.009 0.000 0.910 139 L HN 0.154 nan 8.230 nan 0.000 0.439 140 P HA -0.039 nan 4.420 nan 0.000 0.244 140 P C -0.230 177.079 177.300 0.016 0.000 1.211 140 P CA 0.702 63.808 63.100 0.010 0.000 0.760 140 P CB -0.005 31.699 31.700 0.006 0.000 0.961 141 R N -0.244 120.268 120.500 0.021 0.000 2.782 141 R HA 0.676 5.019 4.340 0.005 0.000 0.258 141 R C 0.244 176.564 176.300 0.033 0.000 1.055 141 R CA -0.813 55.305 56.100 0.029 0.000 1.065 141 R CB 1.873 32.192 30.300 0.031 0.000 1.172 141 R HN -0.102 nan 8.270 nan 0.000 0.510 142 R N 0.161 120.688 120.500 0.045 0.000 2.707 142 R HA 0.202 4.545 4.340 0.005 0.000 0.272 142 R C -1.090 175.251 176.300 0.068 0.000 1.011 142 R CA -0.520 55.612 56.100 0.052 0.000 0.893 142 R CB 2.036 32.374 30.300 0.063 0.000 1.233 142 R HN 0.903 nan 8.270 nan 0.000 0.464 143 S N 1.433 117.172 115.700 0.065 0.000 2.560 143 S HA 0.119 4.592 4.470 0.005 0.000 0.284 143 S C 0.823 175.497 174.600 0.124 0.000 1.327 143 S CA -0.717 57.526 58.200 0.072 0.000 1.055 143 S CB 0.670 63.901 63.200 0.052 0.000 0.868 143 S HN 0.471 nan 8.310 nan 0.000 0.506 144 V N 1.891 121.855 119.914 0.084 0.000 2.673 144 V HA 0.245 4.368 4.120 0.005 0.000 0.303 144 V C 1.194 177.354 176.094 0.110 0.000 1.046 144 V CA 0.370 62.704 62.300 0.058 0.000 1.126 144 V CB -0.343 31.481 31.823 0.002 0.000 0.934 144 V HN 1.190 nan 8.190 nan 0.000 0.487 145 H N 0.726 119.780 119.070 -0.027 0.000 3.876 145 H HA 0.409 4.968 4.556 0.005 0.000 0.262 145 H C 0.052 175.346 175.328 -0.057 0.000 1.158 145 H CA -0.210 55.819 56.048 -0.032 0.000 1.170 145 H CB 0.463 30.212 29.762 -0.020 0.000 1.528 145 H HN 0.684 nan 8.280 nan 0.000 0.689 146 E N 3.832 123.712 120.200 -0.534 0.000 2.191 146 E HA 0.365 4.718 4.350 0.005 0.000 0.278 146 E C -2.668 173.750 176.600 -0.303 0.000 0.972 146 E CA -2.055 54.075 56.400 -0.451 0.000 0.804 146 E CB 2.173 31.513 29.700 -0.599 0.000 1.110 146 E HN 0.220 nan 8.360 nan 0.000 0.394 147 P HA 0.123 nan 4.420 nan 0.000 0.286 147 P C -0.812 176.314 177.300 -0.290 0.000 1.261 147 P CA -0.558 62.409 63.100 -0.221 0.000 0.821 147 P CB 1.020 32.619 31.700 -0.169 0.000 1.013 148 V N 3.804 123.583 119.914 -0.225 0.000 2.320 148 V HA 0.173 4.296 4.120 0.005 0.000 0.265 148 V C 0.533 176.521 176.094 -0.177 0.000 1.048 148 V CA -0.255 61.904 62.300 -0.234 0.000 0.865 148 V CB -0.088 31.638 31.823 -0.161 0.000 1.043 148 V HN 0.460 nan 8.190 nan 0.000 0.474 149 Q N 2.357 122.019 119.800 -0.230 0.000 2.344 149 Q HA 0.155 4.498 4.340 0.005 0.000 0.253 149 Q C 1.462 177.460 176.000 -0.003 0.000 1.050 149 Q CA 0.122 55.873 55.803 -0.088 0.000 0.912 149 Q CB 1.020 29.737 28.738 -0.035 0.000 1.258 149 Q HN 0.922 nan 8.270 nan 0.000 0.443 150 T N -0.833 113.729 114.554 0.012 0.000 2.951 150 T HA 0.003 4.356 4.350 0.005 0.000 0.268 150 T C 1.467 176.205 174.700 0.065 0.000 1.073 150 T CA 0.622 62.741 62.100 0.032 0.000 1.134 150 T CB -0.095 68.784 68.868 0.019 0.000 0.884 150 T HN 0.885 nan 8.240 nan 0.000 0.479 151 G N 1.058 109.907 108.800 0.082 0.000 2.162 151 G HA2 -0.208 3.755 3.960 0.005 0.000 0.260 151 G HA3 -0.208 3.755 3.960 0.005 0.000 0.260 151 G C -0.101 174.832 174.900 0.056 0.000 0.976 151 G CA 0.278 45.428 45.100 0.084 0.000 0.655 151 G HN 0.660 nan 8.290 nan 0.000 0.533 152 L N 0.171 121.421 121.223 0.045 0.000 2.265 152 L HA 0.422 4.765 4.340 0.005 0.000 0.289 152 L C 1.719 178.615 176.870 0.043 0.000 1.033 152 L CA -0.899 53.963 54.840 0.036 0.000 0.814 152 L CB 1.277 43.352 42.059 0.026 0.000 1.203 152 L HN 0.022 nan 8.230 nan 0.000 0.423 153 K N 2.274 122.702 120.400 0.046 0.000 2.020 153 K HA -0.252 4.071 4.320 0.005 0.000 0.212 153 K C 1.960 178.592 176.600 0.053 0.000 1.050 153 K CA 1.889 58.208 56.287 0.054 0.000 0.929 153 K CB -0.137 32.398 32.500 0.057 0.000 0.714 153 K HN 0.821 nan 8.250 nan 0.000 0.443 154 A N 1.043 123.893 122.820 0.050 0.000 1.858 154 A HA -0.139 4.184 4.320 0.005 0.000 0.216 154 A C 2.436 180.051 177.584 0.052 0.000 1.190 154 A CA 1.677 53.747 52.037 0.055 0.000 0.617 154 A CB -0.805 18.228 19.000 0.056 0.000 0.827 154 A HN 0.081 nan 8.150 nan 0.000 0.443 155 V N 0.735 120.676 119.914 0.045 0.000 2.220 155 V HA -0.269 3.854 4.120 0.005 0.000 0.246 155 V C 2.151 178.267 176.094 0.037 0.000 1.049 155 V CA 2.452 64.775 62.300 0.039 0.000 1.003 155 V CB -0.962 30.879 31.823 0.030 0.000 0.634 155 V HN 0.496 nan 8.190 nan 0.000 0.444 156 D N -0.101 120.321 120.400 0.036 0.000 2.264 156 D HA -0.028 4.615 4.640 0.005 0.000 0.208 156 D C 1.949 178.271 176.300 0.037 0.000 0.966 156 D CA 1.343 55.361 54.000 0.032 0.000 0.864 156 D CB -0.134 40.688 40.800 0.037 0.000 0.933 156 D HN 0.469 nan 8.370 nan 0.000 0.499 157 A N -0.594 122.253 122.820 0.045 0.000 1.984 157 A HA 0.128 4.451 4.320 0.005 0.000 0.214 157 A C 2.056 179.669 177.584 0.049 0.000 1.173 157 A CA 0.447 52.513 52.037 0.049 0.000 0.673 157 A CB -0.023 19.010 19.000 0.055 0.000 0.830 157 A HN 0.176 nan 8.150 nan 0.000 0.453 158 L N -0.934 120.320 121.223 0.051 0.000 2.433 158 L HA 0.150 4.493 4.340 0.005 0.000 0.200 158 L C 0.220 177.119 176.870 0.047 0.000 1.059 158 L CA 0.442 55.315 54.840 0.055 0.000 0.835 158 L CB 0.463 42.562 42.059 0.065 0.000 1.076 158 L HN 0.184 nan 8.230 nan 0.000 0.481 159 V N -1.682 118.258 119.914 0.043 0.000 2.313 159 V HA 0.434 4.557 4.120 0.005 0.000 0.262 159 V C -2.719 173.390 176.094 0.025 0.000 1.011 159 V CA -1.799 60.523 62.300 0.037 0.000 0.858 159 V CB -0.019 31.830 31.823 0.044 0.000 1.104 159 V HN -0.052 nan 8.190 nan 0.000 0.456 160 P HA 0.483 nan 4.420 nan 0.000 0.275 160 P C -0.445 176.850 177.300 -0.008 0.000 1.227 160 P CA -0.019 63.083 63.100 0.003 0.000 0.781 160 P CB 1.840 33.542 31.700 0.003 0.000 0.906 161 I N 1.967 122.522 120.570 -0.025 0.000 2.354 161 I HA 0.423 4.596 4.170 0.005 0.000 0.292 161 I C 1.161 177.239 176.117 -0.066 0.000 0.989 161 I CA -0.405 60.873 61.300 -0.036 0.000 1.188 161 I CB 1.602 39.580 38.000 -0.036 0.000 1.342 161 I HN 0.328 nan 8.210 nan 0.000 0.457 162 G N 5.198 113.962 108.800 -0.061 0.000 2.425 162 G HA2 0.448 4.411 3.960 0.005 0.000 0.302 162 G HA3 0.448 4.411 3.960 0.005 0.000 0.302 162 G C -0.288 174.549 174.900 -0.104 0.000 1.159 162 G CA -0.783 44.262 45.100 -0.092 0.000 0.865 162 G HN 0.533 nan 8.290 nan 0.000 0.515 163 R N 0.438 120.841 120.500 -0.161 0.000 2.370 163 R HA 0.393 4.736 4.340 0.005 0.000 0.309 163 R C 1.098 177.362 176.300 -0.061 0.000 1.059 163 R CA 0.843 56.855 56.100 -0.146 0.000 0.981 163 R CB 0.755 30.886 30.300 -0.282 0.000 0.972 163 R HN 1.041 nan 8.270 nan 0.000 0.437 164 G N 1.793 110.587 108.800 -0.010 0.000 2.231 164 G HA2 -0.268 3.695 3.960 0.005 0.000 0.206 164 G HA3 -0.268 3.695 3.960 0.005 0.000 0.206 164 G C 0.213 175.123 174.900 0.016 0.000 0.996 164 G CA -0.168 44.945 45.100 0.022 0.000 0.645 164 G HN 0.577 nan 8.290 nan 0.000 0.498 165 Q N 0.467 120.267 119.800 -0.001 0.000 2.382 165 Q HA 0.629 4.972 4.340 0.005 0.000 0.229 165 Q C -0.048 175.959 176.000 0.011 0.000 1.006 165 Q CA -0.470 55.336 55.803 0.004 0.000 0.916 165 Q CB 0.418 29.152 28.738 -0.007 0.000 1.235 165 Q HN 0.459 nan 8.270 nan 0.000 0.512 166 R N 2.191 122.702 120.500 0.017 0.000 2.388 166 R HA 0.294 4.638 4.340 0.005 0.000 0.314 166 R C -1.303 175.008 176.300 0.017 0.000 0.959 166 R CA -0.571 55.542 56.100 0.022 0.000 0.851 166 R CB 1.494 31.811 30.300 0.028 0.000 1.168 166 R HN 0.490 nan 8.270 nan 0.000 0.472 167 E N 2.789 122.997 120.200 0.014 0.000 2.199 167 E HA 0.304 4.657 4.350 0.005 0.000 0.269 167 E C -1.577 175.032 176.600 0.015 0.000 0.899 167 E CA -0.961 55.448 56.400 0.015 0.000 0.772 167 E CB 1.384 31.091 29.700 0.012 0.000 1.155 167 E HN 0.359 nan 8.360 nan 0.000 0.408 168 L N 5.380 126.615 121.223 0.019 0.000 2.289 168 L HA 0.530 4.873 4.340 0.005 0.000 0.285 168 L C -1.150 175.732 176.870 0.019 0.000 1.049 168 L CA -0.134 54.714 54.840 0.014 0.000 0.804 168 L CB 0.769 42.836 42.059 0.012 0.000 1.195 168 L HN 0.647 nan 8.230 nan 0.000 0.428 169 I N 6.893 127.466 120.570 0.004 0.000 2.315 169 I HA 0.429 4.602 4.170 0.005 0.000 0.291 169 I C -0.338 175.765 176.117 -0.024 0.000 1.006 169 I CA -0.123 61.173 61.300 -0.007 0.000 1.265 169 I CB 1.192 39.184 38.000 -0.013 0.000 1.387 169 I HN 0.585 nan 8.210 nan 0.000 0.475 170 I N 5.591 126.137 120.570 -0.039 0.000 2.644 170 I HA 0.825 4.998 4.170 0.005 0.000 0.291 170 I C -0.599 175.374 176.117 -0.240 0.000 1.180 170 I CA 0.057 61.327 61.300 -0.051 0.000 1.040 170 I CB 1.889 39.934 38.000 0.075 0.000 1.255 170 I HN 0.702 nan 8.210 nan 0.000 0.422 171 G N 5.017 113.663 108.800 -0.257 0.000 2.342 171 G HA2 0.185 4.148 3.960 0.005 0.000 0.297 171 G HA3 0.185 4.148 3.960 0.005 0.000 0.297 171 G C -1.819 172.945 174.900 -0.227 0.000 1.313 171 G CA -0.682 44.143 45.100 -0.458 0.000 0.830 171 G HN 0.506 nan 8.290 nan 0.000 0.506 172 D N 0.014 120.287 120.400 -0.211 0.000 2.352 172 D HA 0.263 4.906 4.640 0.005 0.000 0.238 172 D C 1.206 177.420 176.300 -0.143 0.000 1.286 172 D CA -0.060 53.869 54.000 -0.118 0.000 0.923 172 D CB 0.535 41.285 40.800 -0.084 0.000 1.146 172 D HN 0.584 nan 8.370 nan 0.000 0.471 173 R N 0.812 121.253 120.500 -0.098 0.000 2.643 173 R HA -0.033 4.310 4.340 0.005 0.000 0.270 173 R C -0.373 175.833 176.300 -0.157 0.000 1.061 173 R CA -0.082 55.958 56.100 -0.100 0.000 1.107 173 R CB 0.372 30.643 30.300 -0.049 0.000 0.999 173 R HN 0.278 nan 8.270 nan 0.000 0.460 174 Q N 1.085 120.776 119.800 -0.181 0.000 2.459 174 Q HA -0.127 4.216 4.340 0.005 0.000 0.322 174 Q C -0.310 175.303 176.000 -0.644 0.000 1.427 174 Q CA 1.623 57.267 55.803 -0.264 0.000 0.861 174 Q CB -1.717 26.950 28.738 -0.119 0.000 1.137 174 Q HN 0.960 nan 8.270 nan 0.000 0.394 175 T N -5.086 109.026 114.554 -0.735 0.000 3.275 175 T HA 0.475 4.828 4.350 0.005 0.000 0.298 175 T C 0.972 175.180 174.700 -0.820 0.000 0.988 175 T CA 0.620 62.031 62.100 -1.149 0.000 0.936 175 T CB 0.993 69.527 68.868 -0.557 0.000 1.159 175 T HN 0.921 nan 8.240 nan 0.000 0.519 176 G N 2.156 110.643 108.800 -0.521 0.000 2.147 176 G HA2 -0.309 3.654 3.960 0.005 0.000 0.244 176 G HA3 -0.309 3.654 3.960 0.005 0.000 0.244 176 G C 0.844 175.702 174.900 -0.069 0.000 1.005 176 G CA 0.496 45.545 45.100 -0.085 0.000 0.713 176 G HN 0.556 nan 8.290 nan 0.000 0.515 177 K N -0.512 119.816 120.400 -0.120 0.000 2.009 177 K HA -0.109 4.214 4.320 0.005 0.000 0.210 177 K C 2.636 179.224 176.600 -0.021 0.000 1.049 177 K CA 1.971 58.214 56.287 -0.074 0.000 0.929 177 K CB -0.388 32.060 32.500 -0.086 0.000 0.714 177 K HN 0.405 nan 8.250 nan 0.000 0.440 178 T N 1.251 115.803 114.554 -0.004 0.000 2.746 178 T HA -0.145 4.209 4.350 0.005 0.000 0.267 178 T C 2.022 176.732 174.700 0.017 0.000 1.039 178 T CA 1.358 63.483 62.100 0.043 0.000 1.142 178 T CB -0.314 68.591 68.868 0.061 0.000 0.866 178 T HN 0.335 nan 8.240 nan 0.000 0.444 179 A N 0.818 123.631 122.820 -0.012 0.000 2.076 179 A HA -0.049 4.274 4.320 0.005 0.000 0.220 179 A C 2.505 180.063 177.584 -0.044 0.000 1.160 179 A CA 1.201 53.206 52.037 -0.053 0.000 0.653 179 A CB -0.852 18.107 19.000 -0.069 0.000 0.801 179 A HN 0.394 nan 8.150 nan 0.000 0.455 180 V N -0.813 119.093 119.914 -0.013 0.000 2.446 180 V HA -0.101 4.022 4.120 0.005 0.000 0.244 180 V C 2.987 179.085 176.094 0.008 0.000 1.039 180 V CA 1.533 63.831 62.300 -0.003 0.000 1.045 180 V CB -0.955 30.870 31.823 0.003 0.000 0.681 180 V HN 0.590 nan 8.190 nan 0.000 0.459 181 A N -0.051 122.783 122.820 0.023 0.000 1.877 181 A HA -0.200 4.123 4.320 0.005 0.000 0.216 181 A C 2.160 179.767 177.584 0.038 0.000 1.186 181 A CA 2.128 54.193 52.037 0.047 0.000 0.620 181 A CB -0.597 18.464 19.000 0.101 0.000 0.822 181 A HN 0.425 nan 8.150 nan 0.000 0.443 182 L N 0.103 121.334 121.223 0.014 0.000 1.994 182 L HA -0.158 4.185 4.340 0.005 0.000 0.208 182 L C 1.552 178.420 176.870 -0.003 0.000 1.071 182 L CA 2.550 57.380 54.840 -0.017 0.000 0.745 182 L CB -0.618 41.426 42.059 -0.025 0.000 0.892 182 L HN 0.343 nan 8.230 nan 0.000 0.431 183 D N -1.481 118.910 120.400 -0.015 0.000 2.351 183 D HA -0.124 4.519 4.640 0.005 0.000 0.216 183 D C 1.941 178.257 176.300 0.025 0.000 0.968 183 D CA 1.178 55.173 54.000 -0.009 0.000 0.899 183 D CB 0.039 40.813 40.800 -0.042 0.000 0.907 183 D HN 0.396 nan 8.370 nan 0.000 0.514 184 T N -0.116 114.455 114.554 0.029 0.000 2.770 184 T HA 0.034 4.387 4.350 0.005 0.000 0.258 184 T C 2.102 176.843 174.700 0.068 0.000 1.039 184 T CA 0.334 62.459 62.100 0.042 0.000 1.143 184 T CB -0.068 68.814 68.868 0.023 0.000 0.866 184 T HN 0.124 nan 8.240 nan 0.000 0.428 185 I N 1.085 121.700 120.570 0.074 0.000 2.264 185 I HA -0.142 4.032 4.170 0.005 0.000 0.248 185 I C 2.285 178.519 176.117 0.195 0.000 1.111 185 I CA 1.084 62.465 61.300 0.134 0.000 1.382 185 I CB -0.391 37.667 38.000 0.097 0.000 1.060 185 I HN 0.195 nan 8.210 nan 0.000 0.418 186 L N 0.319 121.606 121.223 0.107 0.000 2.017 186 L HA -0.253 4.091 4.340 0.005 0.000 0.208 186 L C 2.257 179.223 176.870 0.160 0.000 1.073 186 L CA 1.649 56.552 54.840 0.105 0.000 0.745 186 L CB -0.787 41.266 42.059 -0.009 0.000 0.894 186 L HN 0.336 nan 8.230 nan 0.000 0.432 187 N N -0.205 118.576 118.700 0.134 0.000 2.443 187 N HA -0.187 4.556 4.740 0.005 0.000 0.184 187 N C 1.608 177.256 175.510 0.230 0.000 1.037 187 N CA 0.780 53.923 53.050 0.156 0.000 0.896 187 N CB 0.101 38.685 38.487 0.161 0.000 0.959 187 N HN 0.242 nan 8.380 nan 0.000 0.442 188 Q N -0.121 119.799 119.800 0.200 0.000 2.482 188 Q HA -0.011 4.332 4.340 0.005 0.000 0.209 188 Q C 1.401 177.385 176.000 -0.026 0.000 0.961 188 Q CA 0.302 56.184 55.803 0.131 0.000 0.945 188 Q CB -0.028 28.608 28.738 -0.170 0.000 1.012 188 Q HN 0.432 nan 8.270 nan 0.000 0.515 189 K N 1.053 121.507 120.400 0.091 0.000 2.211 189 K HA -0.117 4.206 4.320 0.005 0.000 0.204 189 K C 1.832 178.389 176.600 -0.072 0.000 1.047 189 K CA 0.949 57.292 56.287 0.093 0.000 0.935 189 K CB 0.198 32.773 32.500 0.126 0.000 0.728 189 K HN 0.110 nan 8.250 nan 0.000 0.452 190 R N -1.053 119.313 120.500 -0.224 0.000 2.092 190 R HA -0.102 4.241 4.340 0.005 0.000 0.231 190 R C 1.821 177.776 176.300 -0.574 0.000 1.119 190 R CA 1.492 57.246 56.100 -0.578 0.000 0.970 190 R CB -0.071 29.492 30.300 -1.228 0.000 0.864 190 R HN 0.368 nan 8.270 nan 0.000 0.440 191 W N 0.048 121.263 121.300 -0.142 0.000 2.699 191 W HA 0.161 4.824 4.660 0.005 0.000 0.265 191 W C 1.011 177.416 176.519 -0.191 0.000 1.210 191 W CA -0.346 56.906 57.345 -0.155 0.000 1.414 191 W CB -0.303 29.053 29.460 -0.175 0.000 1.043 191 W HN 0.048 nan 8.180 nan 0.000 0.599 192 N N 1.401 120.058 118.700 -0.073 0.000 2.571 192 N HA -0.092 4.651 4.740 0.005 0.000 0.189 192 N C 0.746 176.222 175.510 -0.055 0.000 1.154 192 N CA 0.736 53.665 53.050 -0.202 0.000 0.907 192 N CB -0.426 37.723 38.487 -0.563 0.000 0.977 192 N HN 0.176 nan 8.380 nan 0.000 0.449 193 N N -0.383 118.299 118.700 -0.029 0.000 2.388 193 N HA 0.073 4.816 4.740 0.005 0.000 0.176 193 N C 0.995 176.505 175.510 0.000 0.000 1.062 193 N CA 0.220 53.269 53.050 -0.001 0.000 0.895 193 N CB 0.184 38.659 38.487 -0.021 0.000 1.018 193 N HN 0.136 nan 8.380 nan 0.000 0.456 194 G N -0.827 107.970 108.800 -0.004 0.000 2.580 194 G HA2 0.259 4.222 3.960 0.005 0.000 0.278 194 G HA3 0.259 4.222 3.960 0.005 0.000 0.278 194 G C 0.653 175.574 174.900 0.034 0.000 1.212 194 G CA -0.337 44.769 45.100 0.011 0.000 0.939 194 G HN 0.078 nan 8.290 nan 0.000 0.513 195 S N -0.737 114.986 115.700 0.038 0.000 2.371 195 S HA -0.062 4.411 4.470 0.005 0.000 0.224 195 S C 0.993 175.631 174.600 0.062 0.000 1.029 195 S CA 0.601 58.832 58.200 0.050 0.000 0.978 195 S CB -0.209 63.016 63.200 0.042 0.000 0.833 195 S HN 0.707 nan 8.310 nan 0.000 0.466 196 D N 2.130 122.567 120.400 0.062 0.000 2.536 196 D HA -0.041 4.602 4.640 0.005 0.000 0.260 196 D C 1.109 177.455 176.300 0.078 0.000 1.270 196 D CA 0.274 54.316 54.000 0.070 0.000 0.934 196 D CB 0.329 41.175 40.800 0.078 0.000 1.129 196 D HN 0.087 nan 8.370 nan 0.000 0.533 197 E N 1.498 121.750 120.200 0.087 0.000 2.047 197 E HA -0.160 4.193 4.350 0.005 0.000 0.191 197 E C 2.002 178.677 176.600 0.126 0.000 0.987 197 E CA 1.094 57.562 56.400 0.114 0.000 0.799 197 E CB -0.275 29.495 29.700 0.118 0.000 0.752 197 E HN 0.621 nan 8.360 nan 0.000 0.449 198 S N 0.572 116.342 115.700 0.117 0.000 2.442 198 S HA -0.081 4.392 4.470 0.005 0.000 0.236 198 S C 1.616 176.288 174.600 0.120 0.000 1.007 198 S CA 0.864 59.166 58.200 0.170 0.000 0.965 198 S CB 0.003 63.285 63.200 0.136 0.000 0.773 198 S HN 0.019 nan 8.310 nan 0.000 0.504 199 K N 0.892 121.308 120.400 0.026 0.000 2.367 199 K HA 0.261 4.584 4.320 0.005 0.000 0.194 199 K C 0.087 176.604 176.600 -0.139 0.000 1.027 199 K CA 0.097 56.319 56.287 -0.108 0.000 1.075 199 K CB 0.166 32.645 32.500 -0.035 0.000 0.845 199 K HN 0.446 nan 8.250 nan 0.000 0.529 200 K N 1.469 121.828 120.400 -0.068 0.000 2.322 200 K HA 0.096 4.419 4.320 0.005 0.000 0.283 200 K C -0.442 175.966 176.600 -0.320 0.000 1.042 200 K CA -0.252 55.895 56.287 -0.234 0.000 0.958 200 K CB 0.568 32.903 32.500 -0.275 0.000 0.984 200 K HN -0.151 nan 8.250 nan 0.000 0.473 201 L N 5.485 126.428 121.223 -0.467 0.000 2.401 201 L HA 0.283 4.626 4.340 0.005 0.000 0.263 201 L C -1.454 175.162 176.870 -0.423 0.000 1.004 201 L CA -0.442 54.189 54.840 -0.349 0.000 0.881 201 L CB 0.268 42.159 42.059 -0.280 0.000 1.219 201 L HN 0.422 nan 8.230 nan 0.000 0.441 202 Y N 2.655 122.823 120.300 -0.219 0.000 2.397 202 Y HA 0.373 4.926 4.550 0.005 0.000 0.335 202 Y C 0.729 176.523 175.900 -0.176 0.000 1.213 202 Y CA -0.044 57.897 58.100 -0.264 0.000 1.391 202 Y CB 0.626 38.660 38.460 -0.710 0.000 1.293 202 Y HN 0.469 nan 8.280 nan 0.000 0.557 203 C N 2.470 121.850 119.300 0.133 0.000 2.411 203 C HA 0.711 5.174 4.460 0.005 0.000 0.330 203 C C -0.388 174.646 174.990 0.073 0.000 1.224 203 C CA -1.089 57.990 59.018 0.102 0.000 1.770 203 C CB 0.920 28.771 27.740 0.184 0.000 2.297 203 C HN 0.563 nan 8.230 nan 0.000 0.507 204 V N 3.080 123.020 119.914 0.043 0.000 2.380 204 V HA 0.245 4.368 4.120 0.005 0.000 0.286 204 V C -1.051 175.056 176.094 0.022 0.000 1.015 204 V CA -0.472 61.851 62.300 0.039 0.000 0.834 204 V CB 0.868 32.704 31.823 0.022 0.000 1.009 204 V HN 0.814 nan 8.190 nan 0.000 0.428 205 Y N 5.396 125.666 120.300 -0.049 0.000 2.367 205 Y HA 0.591 5.144 4.550 0.005 0.000 0.342 205 Y C -0.102 175.773 175.900 -0.042 0.000 0.979 205 Y CA -0.555 57.510 58.100 -0.059 0.000 1.161 205 Y CB 1.483 39.923 38.460 -0.034 0.000 1.155 205 Y HN 0.418 nan 8.280 nan 0.000 0.503 206 V N 6.548 126.110 119.914 -0.587 0.000 2.294 206 V HA 0.555 4.678 4.120 0.005 0.000 0.272 206 V C 0.172 175.985 176.094 -0.469 0.000 1.027 206 V CA -0.816 61.268 62.300 -0.361 0.000 0.823 206 V CB 0.343 32.077 31.823 -0.148 0.000 1.030 206 V HN 0.935 nan 8.190 nan 0.000 0.457 207 A N 5.082 127.732 122.820 -0.282 0.000 2.302 207 A HA 0.706 5.029 4.320 0.005 0.000 0.295 207 A C -0.310 177.251 177.584 -0.037 0.000 1.235 207 A CA -0.281 51.683 52.037 -0.122 0.000 0.876 207 A CB 0.509 19.570 19.000 0.102 0.000 1.133 207 A HN 0.707 nan 8.150 nan 0.000 0.533 208 V N 2.721 122.617 119.914 -0.030 0.000 2.409 208 V HA 0.604 4.727 4.120 0.005 0.000 0.290 208 V C 1.121 177.234 176.094 0.031 0.000 1.017 208 V CA 0.406 62.710 62.300 0.007 0.000 0.841 208 V CB 0.722 32.542 31.823 -0.005 0.000 1.003 208 V HN 1.802 nan 8.190 nan 0.000 0.426 209 G N 3.863 112.692 108.800 0.049 0.000 2.189 209 G HA2 -0.264 3.699 3.960 0.005 0.000 0.267 209 G HA3 -0.264 3.699 3.960 0.005 0.000 0.267 209 G C 0.314 175.244 174.900 0.050 0.000 0.975 209 G CA 0.596 45.728 45.100 0.054 0.000 0.644 209 G HN 0.637 nan 8.290 nan 0.000 0.537 210 Q N 0.220 120.051 119.800 0.052 0.000 2.443 210 Q HA 0.419 4.762 4.340 0.005 0.000 0.232 210 Q C 0.560 176.593 176.000 0.056 0.000 1.026 210 Q CA -0.054 55.784 55.803 0.058 0.000 0.924 210 Q CB 0.506 29.292 28.738 0.080 0.000 1.256 210 Q HN 0.415 nan 8.270 nan 0.000 0.519 211 K N 1.130 121.561 120.400 0.052 0.000 2.382 211 K HA 0.005 4.328 4.320 0.005 0.000 0.275 211 K C 1.115 177.744 176.600 0.049 0.000 1.009 211 K CA -0.038 56.276 56.287 0.046 0.000 0.970 211 K CB 0.609 33.133 32.500 0.040 0.000 0.934 211 K HN 0.435 nan 8.250 nan 0.000 0.479 212 R N 1.036 121.561 120.500 0.043 0.000 2.083 212 R HA -0.174 4.169 4.340 0.005 0.000 0.237 212 R C 2.253 178.576 176.300 0.037 0.000 1.137 212 R CA 2.196 58.320 56.100 0.041 0.000 0.951 212 R CB -0.487 29.834 30.300 0.035 0.000 0.851 212 R HN 0.790 nan 8.270 nan 0.000 0.434 213 S N 0.420 116.139 115.700 0.032 0.000 2.372 213 S HA -0.196 4.277 4.470 0.005 0.000 0.227 213 S C 2.060 176.677 174.600 0.028 0.000 1.044 213 S CA 2.126 60.342 58.200 0.027 0.000 1.050 213 S CB -0.922 62.292 63.200 0.025 0.000 0.901 213 S HN 0.300 nan 8.310 nan 0.000 0.447 214 T N 2.571 117.147 114.554 0.036 0.000 2.652 214 T HA -0.069 4.284 4.350 0.005 0.000 0.267 214 T C 1.994 176.716 174.700 0.037 0.000 1.039 214 T CA 1.559 63.683 62.100 0.040 0.000 1.153 214 T CB -0.801 68.099 68.868 0.053 0.000 0.863 214 T HN 0.283 nan 8.240 nan 0.000 0.428 215 V N 1.887 121.834 119.914 0.055 0.000 2.332 215 V HA -0.205 3.918 4.120 0.005 0.000 0.248 215 V C 2.930 179.039 176.094 0.025 0.000 1.055 215 V CA 1.743 64.082 62.300 0.064 0.000 1.038 215 V CB -1.337 30.544 31.823 0.097 0.000 0.651 215 V HN 0.565 nan 8.190 nan 0.000 0.450 216 A N -0.824 122.009 122.820 0.022 0.000 1.908 216 A HA -0.309 4.014 4.320 0.005 0.000 0.218 216 A C 2.193 179.773 177.584 -0.007 0.000 1.181 216 A CA 2.112 54.154 52.037 0.008 0.000 0.627 216 A CB -0.510 18.497 19.000 0.011 0.000 0.818 216 A HN 0.632 nan 8.150 nan 0.000 0.445 217 Q N -0.879 118.919 119.800 -0.004 0.000 2.079 217 Q HA -0.099 4.244 4.340 0.005 0.000 0.200 217 Q C 2.177 178.158 176.000 -0.031 0.000 0.974 217 Q CA 1.366 57.162 55.803 -0.012 0.000 0.840 217 Q CB -0.322 28.417 28.738 0.002 0.000 0.898 217 Q HN 0.744 nan 8.270 nan 0.000 0.430 218 L N 0.157 121.357 121.223 -0.039 0.000 1.989 218 L HA -0.201 4.142 4.340 0.005 0.000 0.211 218 L C 2.178 178.985 176.870 -0.106 0.000 1.071 218 L CA 1.157 55.944 54.840 -0.089 0.000 0.749 218 L CB -0.292 41.678 42.059 -0.148 0.000 0.890 218 L HN 0.024 nan 8.230 nan 0.000 0.431 219 V N 0.005 119.869 119.914 -0.083 0.000 2.392 219 V HA -0.331 3.792 4.120 0.005 0.000 0.249 219 V C 2.581 178.637 176.094 -0.063 0.000 1.059 219 V CA 1.989 64.246 62.300 -0.072 0.000 1.051 219 V CB -0.665 31.135 31.823 -0.038 0.000 0.658 219 V HN 0.610 nan 8.190 nan 0.000 0.455 220 Q N 0.219 119.989 119.800 -0.051 0.000 2.096 220 Q HA -0.200 4.144 4.340 0.005 0.000 0.204 220 Q C 2.189 178.156 176.000 -0.055 0.000 0.982 220 Q CA 2.675 58.449 55.803 -0.048 0.000 0.850 220 Q CB -0.783 27.931 28.738 -0.040 0.000 0.901 220 Q HN 0.602 nan 8.270 nan 0.000 0.422 221 T N 0.604 115.118 114.554 -0.067 0.000 2.777 221 T HA -0.031 4.323 4.350 0.005 0.000 0.266 221 T C 1.671 176.363 174.700 -0.014 0.000 1.040 221 T CA 1.136 63.199 62.100 -0.063 0.000 1.141 221 T CB -0.198 68.585 68.868 -0.141 0.000 0.868 221 T HN 0.233 nan 8.240 nan 0.000 0.444 222 L N 0.668 121.849 121.223 -0.070 0.000 2.083 222 L HA -0.109 4.234 4.340 0.005 0.000 0.209 222 L C 2.690 179.519 176.870 -0.068 0.000 1.083 222 L CA 1.407 56.195 54.840 -0.087 0.000 0.752 222 L CB -0.493 41.485 42.059 -0.136 0.000 0.899 222 L HN 0.357 nan 8.230 nan 0.000 0.433 223 E N -0.397 119.768 120.200 -0.060 0.000 2.046 223 E HA -0.264 4.089 4.350 0.005 0.000 0.190 223 E C 2.124 178.696 176.600 -0.047 0.000 0.982 223 E CA 0.806 57.171 56.400 -0.057 0.000 0.800 223 E CB -0.061 29.607 29.700 -0.053 0.000 0.756 223 E HN 0.448 nan 8.360 nan 0.000 0.449 224 Q N 0.261 120.035 119.800 -0.043 0.000 2.197 224 Q HA -0.209 4.134 4.340 0.005 0.000 0.207 224 Q C 0.839 176.736 176.000 -0.171 0.000 0.984 224 Q CA 1.498 57.243 55.803 -0.097 0.000 0.869 224 Q CB 0.000 28.678 28.738 -0.101 0.000 0.906 224 Q HN 0.354 nan 8.270 nan 0.000 0.426 225 H N -1.113 117.901 119.070 -0.093 0.000 2.520 225 H HA 0.112 4.671 4.556 0.005 0.000 0.284 225 H C -0.093 175.204 175.328 -0.053 0.000 1.037 225 H CA 0.569 56.579 56.048 -0.064 0.000 1.168 225 H CB 0.663 30.395 29.762 -0.050 0.000 1.497 225 H HN 0.348 nan 8.280 nan 0.000 0.547 226 D N -0.776 119.627 120.400 0.004 0.000 2.554 226 D HA -0.291 4.352 4.640 0.005 0.000 0.178 226 D C 1.661 177.901 176.300 -0.100 0.000 1.054 226 D CA 1.129 55.114 54.000 -0.026 0.000 1.052 226 D CB -1.245 39.559 40.800 0.007 0.000 1.112 226 D HN 0.414 nan 8.370 nan 0.000 0.448 227 A N -0.563 122.169 122.820 -0.147 0.000 2.131 227 A HA -0.090 4.233 4.320 0.005 0.000 0.220 227 A C 2.062 179.192 177.584 -0.756 0.000 1.158 227 A CA 2.025 53.753 52.037 -0.516 0.000 0.665 227 A CB -0.516 18.322 19.000 -0.270 0.000 0.795 227 A HN 0.412 nan 8.150 nan 0.000 0.460 228 M N 1.035 120.419 119.600 -0.359 0.000 2.213 228 M HA -0.164 4.319 4.480 0.005 0.000 0.263 228 M C 1.957 178.121 176.300 -0.226 0.000 1.062 228 M CA 2.138 57.285 55.300 -0.255 0.000 1.105 228 M CB -0.527 31.992 32.600 -0.134 0.000 1.385 228 M HN 0.573 nan 8.290 nan 0.000 0.417 229 K N -0.592 119.686 120.400 -0.204 0.000 2.280 229 K HA -0.184 4.139 4.320 0.005 0.000 0.202 229 K C 0.848 177.480 176.600 0.054 0.000 1.047 229 K CA 1.793 58.050 56.287 -0.051 0.000 0.942 229 K CB -0.789 31.721 32.500 0.017 0.000 0.739 229 K HN 0.621 nan 8.250 nan 0.000 0.457 230 Y N -0.062 120.284 120.300 0.077 0.000 2.557 230 Y HA 0.406 4.959 4.550 0.005 0.000 0.247 230 Y C -0.279 175.681 175.900 0.100 0.000 1.164 230 Y CA -1.160 57.017 58.100 0.128 0.000 1.218 230 Y CB 0.002 38.500 38.460 0.063 0.000 1.210 230 Y HN 0.046 nan 8.280 nan 0.000 0.529 231 S N 0.763 116.473 115.700 0.017 0.000 2.568 231 S HA 0.807 5.280 4.470 0.005 0.000 0.302 231 S C -0.862 173.764 174.600 0.042 0.000 1.082 231 S CA -0.723 57.505 58.200 0.048 0.000 1.009 231 S CB 2.229 65.403 63.200 -0.044 0.000 1.069 231 S HN 0.229 nan 8.310 nan 0.000 0.500 232 I N 1.814 122.426 120.570 0.069 0.000 2.498 232 I HA 0.389 4.562 4.170 0.005 0.000 0.290 232 I C -1.025 175.140 176.117 0.080 0.000 1.032 232 I CA -0.902 60.439 61.300 0.068 0.000 1.073 232 I CB 1.633 39.685 38.000 0.088 0.000 1.251 232 I HN 0.471 nan 8.210 nan 0.000 0.426 233 I N 6.713 127.327 120.570 0.074 0.000 2.336 233 I HA 0.410 4.583 4.170 0.005 0.000 0.292 233 I C -0.112 176.049 176.117 0.073 0.000 0.991 233 I CA -0.793 60.572 61.300 0.108 0.000 1.227 233 I CB 1.425 39.493 38.000 0.114 0.000 1.366 233 I HN 0.153 nan 8.210 nan 0.000 0.466 234 V N 5.399 125.350 119.914 0.061 0.000 2.409 234 V HA 0.793 4.916 4.120 0.005 0.000 0.291 234 V C 0.161 176.272 176.094 0.028 0.000 1.020 234 V CA -0.579 61.741 62.300 0.033 0.000 0.848 234 V CB 1.621 33.455 31.823 0.018 0.000 0.990 234 V HN 0.901 nan 8.190 nan 0.000 0.430 235 A N 3.952 126.794 122.820 0.036 0.000 2.359 235 A HA 0.915 5.238 4.320 0.005 0.000 0.303 235 A C -0.274 177.335 177.584 0.041 0.000 1.066 235 A CA -0.354 51.709 52.037 0.042 0.000 0.730 235 A CB 1.660 20.699 19.000 0.065 0.000 1.211 235 A HN 1.344 nan 8.150 nan 0.000 0.439 236 A N 2.718 125.563 122.820 0.042 0.000 2.431 236 A HA 0.657 4.980 4.320 0.005 0.000 0.318 236 A C 0.538 178.157 177.584 0.058 0.000 1.330 236 A CA 0.138 52.210 52.037 0.058 0.000 0.804 236 A CB -0.255 18.787 19.000 0.071 0.000 1.135 236 A HN 1.426 nan 8.150 nan 0.000 0.483 237 T N -0.727 113.862 114.554 0.058 0.000 2.729 237 T HA 0.505 4.858 4.350 0.005 0.000 0.298 237 T C 1.563 176.297 174.700 0.056 0.000 1.013 237 T CA 0.144 62.278 62.100 0.056 0.000 0.957 237 T CB 0.700 69.599 68.868 0.052 0.000 1.130 237 T HN 1.076 nan 8.240 nan 0.000 0.526 238 A N 0.559 123.410 122.820 0.051 0.000 2.019 238 A HA 0.001 4.324 4.320 0.005 0.000 0.219 238 A C 2.408 180.020 177.584 0.047 0.000 1.164 238 A CA 1.782 53.848 52.037 0.049 0.000 0.644 238 A CB -1.200 17.826 19.000 0.043 0.000 0.805 238 A HN 1.101 nan 8.150 nan 0.000 0.449 239 S N -0.750 114.977 115.700 0.045 0.000 2.540 239 S HA 0.192 4.665 4.470 0.005 0.000 0.218 239 S C 0.210 174.837 174.600 0.046 0.000 0.977 239 S CA -0.469 57.755 58.200 0.040 0.000 0.918 239 S CB -0.025 63.195 63.200 0.034 0.000 0.806 239 S HN 0.566 nan 8.310 nan 0.000 0.496 240 E N 1.725 121.960 120.200 0.058 0.000 2.313 240 E HA 0.526 4.879 4.350 0.005 0.000 0.272 240 E C -0.096 176.553 176.600 0.081 0.000 1.038 240 E CA -0.489 55.954 56.400 0.071 0.000 0.863 240 E CB 1.206 30.955 29.700 0.081 0.000 1.060 240 E HN 0.438 nan 8.360 nan 0.000 0.402 241 A N 2.158 125.031 122.820 0.088 0.000 2.573 241 A HA 0.062 4.385 4.320 0.005 0.000 0.250 241 A C 1.410 179.059 177.584 0.109 0.000 1.049 241 A CA 0.810 52.896 52.037 0.083 0.000 0.767 241 A CB -0.017 19.036 19.000 0.088 0.000 0.965 241 A HN 0.824 nan 8.150 nan 0.000 0.514 242 A N 4.913 127.782 122.820 0.082 0.000 1.929 242 A HA -0.174 4.149 4.320 0.005 0.000 0.221 242 A C -0.045 177.649 177.584 0.182 0.000 1.211 242 A CA 2.321 54.423 52.037 0.109 0.000 0.657 242 A CB -1.702 17.336 19.000 0.063 0.000 0.827 242 A HN 0.660 nan 8.150 nan 0.000 0.462 243 P HA -0.062 nan 4.420 nan 0.000 0.222 243 P C 1.292 178.874 177.300 0.471 0.000 1.147 243 P CA 0.680 63.943 63.100 0.273 0.000 0.790 243 P CB -0.114 31.551 31.700 -0.058 0.000 0.780 244 L N -0.899 120.565 121.223 0.401 0.000 2.217 244 L HA -0.141 4.202 4.340 0.005 0.000 0.211 244 L C 2.507 179.517 176.870 0.233 0.000 1.107 244 L CA 1.308 56.368 54.840 0.367 0.000 0.783 244 L CB -0.679 41.546 42.059 0.276 0.000 0.919 244 L HN 0.035 nan 8.230 nan 0.000 0.442 245 Q N -1.062 118.869 119.800 0.218 0.000 2.137 245 Q HA -0.211 4.132 4.340 0.005 0.000 0.198 245 Q C 2.067 178.179 176.000 0.187 0.000 0.960 245 Q CA 1.400 57.302 55.803 0.165 0.000 0.847 245 Q CB -0.262 28.565 28.738 0.148 0.000 0.915 245 Q HN 0.545 nan 8.270 nan 0.000 0.448 246 Y N 1.202 121.603 120.300 0.169 0.000 2.274 246 Y HA -0.190 4.363 4.550 0.005 0.000 0.290 246 Y C 1.826 177.874 175.900 0.247 0.000 1.145 246 Y CA 0.930 59.147 58.100 0.195 0.000 1.203 246 Y CB -0.085 38.538 38.460 0.271 0.000 0.984 246 Y HN 0.071 nan 8.280 nan 0.000 0.533 247 L N 0.634 121.826 121.223 -0.052 0.000 2.162 247 L HA 0.200 4.543 4.340 0.005 0.000 0.205 247 L C 2.542 179.411 176.870 -0.001 0.000 1.086 247 L CA 1.598 56.392 54.840 -0.077 0.000 0.778 247 L CB -1.281 40.847 42.059 0.116 0.000 0.928 247 L HN 0.259 nan 8.230 nan 0.000 0.446 248 A N 0.844 123.661 122.820 -0.003 0.000 1.882 248 A HA -0.257 4.066 4.320 0.005 0.000 0.220 248 A C 0.072 177.624 177.584 -0.054 0.000 1.253 248 A CA 2.722 54.750 52.037 -0.014 0.000 0.664 248 A CB -2.327 16.672 19.000 -0.002 0.000 0.838 248 A HN 0.433 nan 8.150 nan 0.000 0.460 249 P HA -0.137 nan 4.420 nan 0.000 0.216 249 P C 1.056 178.234 177.300 -0.202 0.000 1.150 249 P CA 1.273 64.248 63.100 -0.209 0.000 0.843 249 P CB -0.202 31.122 31.700 -0.627 0.000 0.787 250 F N -0.052 119.825 119.950 -0.121 0.000 2.102 250 F HA -0.168 4.362 4.527 0.005 0.000 0.298 250 F C 2.480 178.251 175.800 -0.049 0.000 1.105 250 F CA 1.971 59.901 58.000 -0.117 0.000 1.239 250 F CB -2.110 36.766 39.000 -0.207 0.000 0.991 250 F HN -0.014 nan 8.300 nan 0.000 0.474 251 T N -1.984 112.650 114.554 0.134 0.000 2.857 251 T HA -0.029 4.324 4.350 0.005 0.000 0.266 251 T C 2.162 176.904 174.700 0.071 0.000 1.048 251 T CA 0.853 62.997 62.100 0.073 0.000 1.139 251 T CB -0.871 68.011 68.868 0.024 0.000 0.874 251 T HN 0.188 nan 8.240 nan 0.000 0.455 252 A N 1.991 124.854 122.820 0.071 0.000 1.933 252 A HA 0.286 4.609 4.320 0.005 0.000 0.218 252 A C 2.823 180.473 177.584 0.111 0.000 1.175 252 A CA 1.870 53.954 52.037 0.077 0.000 0.628 252 A CB -1.404 17.634 19.000 0.064 0.000 0.814 252 A HN 0.739 nan 8.150 nan 0.000 0.444 253 A N -0.665 122.244 122.820 0.148 0.000 1.908 253 A HA -0.101 4.222 4.320 0.005 0.000 0.218 253 A C 2.453 180.120 177.584 0.138 0.000 1.181 253 A CA 2.109 54.244 52.037 0.163 0.000 0.627 253 A CB -0.957 18.145 19.000 0.171 0.000 0.818 253 A HN 0.442 nan 8.150 nan 0.000 0.445 254 S N -0.338 115.433 115.700 0.118 0.000 2.359 254 S HA -0.151 4.322 4.470 0.005 0.000 0.224 254 S C 1.814 176.484 174.600 0.116 0.000 1.035 254 S CA 1.637 59.897 58.200 0.099 0.000 1.018 254 S CB -0.492 62.750 63.200 0.070 0.000 0.876 254 S HN 0.542 nan 8.310 nan 0.000 0.448 255 I N 1.003 121.642 120.570 0.116 0.000 2.202 255 I HA -0.111 4.062 4.170 0.005 0.000 0.242 255 I C 2.698 178.976 176.117 0.269 0.000 1.091 255 I CA 1.143 62.524 61.300 0.134 0.000 1.368 255 I CB -0.827 37.239 38.000 0.109 0.000 1.058 255 I HN 0.364 nan 8.210 nan 0.000 0.410 256 G N 0.189 109.148 108.800 0.266 0.000 2.442 256 G HA2 -0.239 3.724 3.960 0.005 0.000 0.219 256 G HA3 -0.239 3.724 3.960 0.005 0.000 0.219 256 G C 1.531 176.650 174.900 0.366 0.000 1.141 256 G CA 0.640 45.945 45.100 0.341 0.000 0.763 256 G HN 0.411 nan 8.290 nan 0.000 0.554 257 E N -0.799 119.538 120.200 0.229 0.000 2.110 257 E HA -0.149 4.204 4.350 0.005 0.000 0.193 257 E C 1.964 178.630 176.600 0.111 0.000 0.988 257 E CA 0.548 57.039 56.400 0.153 0.000 0.804 257 E CB -0.230 29.531 29.700 0.101 0.000 0.745 257 E HN 0.658 nan 8.360 nan 0.000 0.458 258 W N 0.688 121.926 121.300 -0.104 0.000 2.305 258 W HA -0.284 4.379 4.660 0.005 0.000 0.308 258 W C 1.518 177.841 176.519 -0.327 0.000 1.226 258 W CA 1.805 58.977 57.345 -0.287 0.000 1.253 258 W CB -0.307 28.853 29.460 -0.500 0.000 1.146 258 W HN 0.020 nan 8.180 nan 0.000 0.507 259 F N -0.166 119.926 119.950 0.236 0.000 2.163 259 F HA -0.063 4.467 4.527 0.005 0.000 0.297 259 F C 2.708 178.442 175.800 -0.109 0.000 1.094 259 F CA 1.936 59.980 58.000 0.074 0.000 1.290 259 F CB -1.331 37.785 39.000 0.194 0.000 1.017 259 F HN -0.208 nan 8.300 nan 0.000 0.483 260 R N 0.765 121.336 120.500 0.119 0.000 2.073 260 R HA -0.181 4.162 4.340 0.005 0.000 0.234 260 R C 1.557 177.791 176.300 -0.110 0.000 1.134 260 R CA 2.203 58.305 56.100 0.003 0.000 0.952 260 R CB -0.527 29.802 30.300 0.048 0.000 0.850 260 R HN 0.138 nan 8.270 nan 0.000 0.433 261 D N -0.101 120.200 120.400 -0.166 0.000 2.264 261 D HA -0.077 4.566 4.640 0.005 0.000 0.208 261 D C 0.945 177.044 176.300 -0.334 0.000 0.966 261 D CA 0.940 54.804 54.000 -0.227 0.000 0.864 261 D CB -0.107 40.555 40.800 -0.231 0.000 0.933 261 D HN 0.361 nan 8.370 nan 0.000 0.499 262 N N -1.099 117.310 118.700 -0.485 0.000 2.236 262 N HA 0.127 4.870 4.740 0.005 0.000 0.196 262 N C 0.983 176.300 175.510 -0.323 0.000 1.114 262 N CA 0.587 53.312 53.050 -0.542 0.000 0.859 262 N CB 1.803 39.646 38.487 -1.074 0.000 0.982 262 N HN 0.184 nan 8.380 nan 0.000 0.493 263 G N 1.333 109.986 108.800 -0.245 0.000 2.192 263 G HA2 -0.198 3.765 3.960 0.005 0.000 0.193 263 G HA3 -0.198 3.765 3.960 0.005 0.000 0.193 263 G C 0.082 174.849 174.900 -0.220 0.000 0.999 263 G CA -0.301 44.687 45.100 -0.187 0.000 0.659 263 G HN 0.206 nan 8.290 nan 0.000 0.503 264 K N 0.033 120.337 120.400 -0.160 0.000 2.419 264 K HA 0.709 5.032 4.320 0.005 0.000 0.246 264 K C -0.525 175.913 176.600 -0.270 0.000 1.037 264 K CA -0.862 55.376 56.287 -0.081 0.000 0.982 264 K CB 0.761 33.456 32.500 0.326 0.000 1.283 264 K HN 0.310 nan 8.250 nan 0.000 0.500 265 H N -0.620 118.565 119.070 0.192 0.000 2.609 265 H HA 0.463 5.022 4.556 0.005 0.000 0.344 265 H C -1.063 174.323 175.328 0.098 0.000 1.040 265 H CA -0.763 55.343 56.048 0.096 0.000 1.216 265 H CB 1.909 31.658 29.762 -0.022 0.000 1.529 265 H HN 0.673 nan 8.280 nan 0.000 0.519 266 A N 3.304 126.236 122.820 0.187 0.000 2.350 266 A HA 0.514 4.837 4.320 0.005 0.000 0.324 266 A C -0.936 176.674 177.584 0.043 0.000 1.118 266 A CA -0.716 51.366 52.037 0.075 0.000 0.783 266 A CB 1.499 20.564 19.000 0.110 0.000 1.236 266 A HN 0.525 nan 8.150 nan 0.000 0.457 267 L N 2.449 123.669 121.223 -0.005 0.000 2.307 267 L HA 0.753 5.096 4.340 0.005 0.000 0.284 267 L C -0.836 176.001 176.870 -0.056 0.000 1.023 267 L CA -0.354 54.469 54.840 -0.029 0.000 0.810 267 L CB 1.054 43.093 42.059 -0.034 0.000 1.231 267 L HN 0.666 nan 8.230 nan 0.000 0.423 268 I N 5.162 125.656 120.570 -0.126 0.000 2.465 268 I HA 0.527 4.700 4.170 0.005 0.000 0.291 268 I C -1.304 174.549 176.117 -0.439 0.000 1.014 268 I CA -0.694 60.433 61.300 -0.288 0.000 1.093 268 I CB 1.855 39.643 38.000 -0.353 0.000 1.267 268 I HN 0.361 nan 8.210 nan 0.000 0.431 269 V N 7.957 127.608 119.914 -0.437 0.000 2.378 269 V HA 0.316 4.439 4.120 0.005 0.000 0.288 269 V C -1.170 174.607 176.094 -0.529 0.000 1.016 269 V CA -0.471 61.611 62.300 -0.364 0.000 0.840 269 V CB 1.277 33.059 31.823 -0.069 0.000 0.994 269 V HN 0.466 nan 8.190 nan 0.000 0.431 270 Y N 2.484 122.671 120.300 -0.189 0.000 2.595 270 Y HA 0.443 4.995 4.550 0.005 0.000 0.336 270 Y C 0.335 176.101 175.900 -0.223 0.000 0.996 270 Y CA -1.023 56.936 58.100 -0.234 0.000 1.260 270 Y CB 0.652 38.982 38.460 -0.216 0.000 1.108 270 Y HN 0.512 nan 8.280 nan 0.000 0.509 271 D N 3.592 123.883 120.400 -0.182 0.000 2.477 271 D HA 0.188 4.831 4.640 0.005 0.000 0.239 271 D C -1.100 175.151 176.300 -0.080 0.000 1.102 271 D CA -0.305 53.617 54.000 -0.131 0.000 0.901 271 D CB 0.318 41.021 40.800 -0.162 0.000 1.026 271 D HN 0.680 nan 8.370 nan 0.000 0.515 272 D N 0.484 120.865 120.400 -0.031 0.000 2.531 272 D HA 0.240 4.883 4.640 0.005 0.000 0.244 272 D C 1.186 177.467 176.300 -0.033 0.000 1.090 272 D CA -0.741 53.242 54.000 -0.028 0.000 0.989 272 D CB 1.171 41.961 40.800 -0.018 0.000 1.433 272 D HN 0.053 nan 8.370 nan 0.000 0.492 273 L N 0.093 121.268 121.223 -0.079 0.000 2.156 273 L HA -0.093 4.251 4.340 0.005 0.000 0.208 273 L C 2.020 178.896 176.870 0.011 0.000 1.095 273 L CA 0.860 55.624 54.840 -0.128 0.000 0.770 273 L CB -0.490 41.302 42.059 -0.446 0.000 0.914 273 L HN 0.443 nan 8.230 nan 0.000 0.439 274 S N 0.371 116.075 115.700 0.006 0.000 2.359 274 S HA -0.251 4.223 4.470 0.005 0.000 0.222 274 S C 1.919 176.587 174.600 0.113 0.000 1.038 274 S CA 1.594 59.833 58.200 0.064 0.000 1.051 274 S CB -0.222 63.006 63.200 0.046 0.000 0.944 274 S HN 0.388 nan 8.310 nan 0.000 0.433 275 K N 0.882 121.334 120.400 0.086 0.000 2.103 275 K HA -0.151 4.172 4.320 0.005 0.000 0.207 275 K C 2.501 179.175 176.600 0.123 0.000 1.048 275 K CA 1.085 57.430 56.287 0.097 0.000 0.930 275 K CB -0.194 32.346 32.500 0.066 0.000 0.716 275 K HN 0.385 nan 8.250 nan 0.000 0.444 276 Q N 0.675 120.543 119.800 0.113 0.000 1.993 276 Q HA -0.180 4.164 4.340 0.005 0.000 0.202 276 Q C 2.166 178.294 176.000 0.214 0.000 0.984 276 Q CA 1.751 57.637 55.803 0.138 0.000 0.837 276 Q CB -0.168 28.611 28.738 0.068 0.000 0.902 276 Q HN 0.340 nan 8.270 nan 0.000 0.423 277 A N 0.055 123.008 122.820 0.221 0.000 1.986 277 A HA -0.165 4.158 4.320 0.005 0.000 0.220 277 A C 2.219 180.048 177.584 0.409 0.000 1.171 277 A CA 1.698 53.876 52.037 0.235 0.000 0.640 277 A CB -0.721 18.330 19.000 0.086 0.000 0.811 277 A HN 0.321 nan 8.150 nan 0.000 0.451 278 V N -0.335 119.780 119.914 0.335 0.000 2.307 278 V HA -0.231 3.892 4.120 0.005 0.000 0.245 278 V C 3.061 179.259 176.094 0.172 0.000 1.045 278 V CA 1.880 64.334 62.300 0.257 0.000 1.024 278 V CB -1.303 30.625 31.823 0.176 0.000 0.651 278 V HN 0.622 nan 8.190 nan 0.000 0.449 279 A N -0.918 122.012 122.820 0.182 0.000 1.948 279 A HA -0.302 4.021 4.320 0.005 0.000 0.220 279 A C 2.179 179.877 177.584 0.189 0.000 1.177 279 A CA 2.329 54.467 52.037 0.168 0.000 0.636 279 A CB -0.773 18.346 19.000 0.197 0.000 0.815 279 A HN 0.645 nan 8.150 nan 0.000 0.449 280 Y N 0.348 120.716 120.300 0.113 0.000 2.163 280 Y HA -0.154 4.399 4.550 0.005 0.000 0.288 280 Y C 2.500 178.407 175.900 0.013 0.000 1.136 280 Y CA 1.857 59.989 58.100 0.054 0.000 1.147 280 Y CB -0.487 38.031 38.460 0.096 0.000 0.987 280 Y HN 0.360 nan 8.280 nan 0.000 0.509 281 R N 0.469 120.961 120.500 -0.013 0.000 2.105 281 R HA -0.269 4.074 4.340 0.005 0.000 0.239 281 R C 2.383 178.572 176.300 -0.186 0.000 1.135 281 R CA 1.944 57.959 56.100 -0.142 0.000 0.967 281 R CB -0.458 29.751 30.300 -0.151 0.000 0.861 281 R HN 0.589 nan 8.270 nan 0.000 0.442 282 Q N 0.647 120.378 119.800 -0.115 0.000 2.014 282 Q HA -0.211 4.132 4.340 0.005 0.000 0.207 282 Q C 2.219 178.135 176.000 -0.139 0.000 0.993 282 Q CA 2.295 58.038 55.803 -0.101 0.000 0.850 282 Q CB -0.193 28.519 28.738 -0.045 0.000 0.916 282 Q HN 0.489 nan 8.270 nan 0.000 0.417 283 L N 0.291 121.409 121.223 -0.174 0.000 2.012 283 L HA -0.204 4.139 4.340 0.005 0.000 0.210 283 L C 2.618 179.338 176.870 -0.249 0.000 1.073 283 L CA 1.496 56.211 54.840 -0.209 0.000 0.748 283 L CB -0.683 41.221 42.059 -0.257 0.000 0.891 283 L HN 0.234 nan 8.230 nan 0.000 0.431 284 S N 0.287 115.769 115.700 -0.363 0.000 2.382 284 S HA -0.123 4.350 4.470 0.005 0.000 0.228 284 S C 2.012 176.500 174.600 -0.187 0.000 1.027 284 S CA 1.232 59.241 58.200 -0.320 0.000 0.991 284 S CB -0.319 62.632 63.200 -0.415 0.000 0.823 284 S HN 0.291 nan 8.310 nan 0.000 0.469 285 L N 0.887 122.010 121.223 -0.167 0.000 2.044 285 L HA 0.000 4.343 4.340 0.005 0.000 0.205 285 L C 2.214 179.026 176.870 -0.097 0.000 1.075 285 L CA 0.962 55.733 54.840 -0.116 0.000 0.747 285 L CB -0.583 41.410 42.059 -0.111 0.000 0.903 285 L HN 0.263 nan 8.230 nan 0.000 0.435 286 L N -0.412 120.750 121.223 -0.102 0.000 2.191 286 L HA -0.200 4.143 4.340 0.005 0.000 0.212 286 L C 2.267 179.089 176.870 -0.079 0.000 1.103 286 L CA 0.952 55.742 54.840 -0.083 0.000 0.769 286 L CB -0.295 41.715 42.059 -0.083 0.000 0.908 286 L HN 0.307 nan 8.230 nan 0.000 0.438 287 L N -0.671 120.495 121.223 -0.096 0.000 2.554 287 L HA 0.046 4.389 4.340 0.005 0.000 0.226 287 L C 0.766 177.597 176.870 -0.064 0.000 1.137 287 L CA 0.209 55.000 54.840 -0.081 0.000 0.863 287 L CB -0.013 41.986 42.059 -0.100 0.000 0.985 287 L HN 0.262 nan 8.230 nan 0.000 0.451 288 R N -0.322 120.138 120.500 -0.066 0.000 3.644 288 R HA -0.104 4.239 4.340 0.005 0.000 0.308 288 R C -0.469 175.804 176.300 -0.045 0.000 1.161 288 R CA 0.124 56.194 56.100 -0.050 0.000 0.819 288 R CB -1.794 28.484 30.300 -0.036 0.000 1.363 288 R HN 0.246 nan 8.270 nan 0.000 0.479 289 R N 1.256 121.720 120.500 -0.059 0.000 2.389 289 R HA 0.202 4.545 4.340 0.005 0.000 0.295 289 R C -2.140 174.140 176.300 -0.034 0.000 1.075 289 R CA -1.954 54.120 56.100 -0.044 0.000 1.005 289 R CB 0.122 30.386 30.300 -0.061 0.000 0.987 289 R HN -0.106 nan 8.270 nan 0.000 0.452 290 P HA -0.028 nan 4.420 nan 0.000 0.258 290 P C -2.127 175.173 177.300 -0.000 0.000 1.172 290 P CA -0.381 62.714 63.100 -0.007 0.000 0.762 290 P CB -0.015 31.688 31.700 0.004 0.000 0.764 291 P HA 0.160 nan 4.420 nan 0.000 0.275 291 P C 0.219 177.532 177.300 0.022 0.000 1.227 291 P CA 0.165 63.266 63.100 0.002 0.000 0.781 291 P CB 1.267 32.954 31.700 -0.023 0.000 0.906 292 G N 2.180 111.015 108.800 0.059 0.000 3.247 292 G HA2 0.314 4.277 3.960 0.005 0.000 0.163 292 G HA3 0.314 4.277 3.960 0.005 0.000 0.163 292 G C -0.467 174.451 174.900 0.030 0.000 1.206 292 G CA -0.832 44.293 45.100 0.041 0.000 0.918 292 G HN 0.503 nan 8.290 nan 0.000 0.625 293 R N 0.894 121.366 120.500 -0.047 0.000 2.494 293 R HA 0.060 4.403 4.340 0.005 0.000 0.291 293 R C 0.208 176.595 176.300 0.146 0.000 0.953 293 R CA 1.052 57.087 56.100 -0.108 0.000 1.098 293 R CB -0.282 29.663 30.300 -0.592 0.000 0.911 293 R HN 0.699 nan 8.270 nan 0.000 0.407 294 E N 2.504 122.782 120.200 0.130 0.000 2.805 294 E HA -0.352 4.002 4.350 0.005 0.000 0.266 294 E C 0.338 176.964 176.600 0.043 0.000 1.092 294 E CA 0.485 56.991 56.400 0.176 0.000 0.781 294 E CB -1.350 28.587 29.700 0.394 0.000 1.379 294 E HN 0.893 nan 8.360 nan 0.000 0.433 295 A N -2.052 120.783 122.820 0.025 0.000 2.945 295 A HA -0.302 4.021 4.320 0.005 0.000 0.263 295 A C 0.069 177.602 177.584 -0.085 0.000 1.293 295 A CA 1.788 53.793 52.037 -0.053 0.000 0.944 295 A CB -2.129 16.802 19.000 -0.115 0.000 1.093 295 A HN 0.430 nan 8.150 nan 0.000 0.786 296 Y N 0.630 121.005 120.300 0.125 0.000 2.336 296 Y HA 0.441 4.994 4.550 0.005 0.000 0.331 296 Y C -1.146 174.836 175.900 0.136 0.000 1.211 296 Y CA -1.197 56.990 58.100 0.145 0.000 1.346 296 Y CB 0.355 38.959 38.460 0.240 0.000 1.271 296 Y HN 0.251 nan 8.280 nan 0.000 0.538 297 P HA 0.023 nan 4.420 nan 0.000 0.274 297 P C 0.566 178.012 177.300 0.244 0.000 1.246 297 P CA 0.042 63.237 63.100 0.159 0.000 0.795 297 P CB 0.886 32.617 31.700 0.052 0.000 1.006 298 G N 1.337 110.251 108.800 0.190 0.000 2.450 298 G HA2 -0.227 3.736 3.960 0.005 0.000 0.220 298 G HA3 -0.227 3.736 3.960 0.005 0.000 0.220 298 G C 0.751 175.803 174.900 0.254 0.000 1.130 298 G CA 0.744 45.967 45.100 0.205 0.000 0.760 298 G HN 0.637 nan 8.290 nan 0.000 0.557 299 D N 0.298 120.862 120.400 0.274 0.000 2.336 299 D HA 0.075 4.718 4.640 0.005 0.000 0.228 299 D C 1.855 178.354 176.300 0.333 0.000 1.120 299 D CA -0.250 53.948 54.000 0.330 0.000 0.839 299 D CB 0.058 41.063 40.800 0.343 0.000 0.932 299 D HN 0.136 nan 8.370 nan 0.000 0.509 300 V N -0.124 119.966 119.914 0.294 0.000 2.626 300 V HA -0.138 3.985 4.120 0.005 0.000 0.252 300 V C 1.754 177.821 176.094 -0.045 0.000 1.067 300 V CA 1.180 63.559 62.300 0.131 0.000 1.081 300 V CB -0.777 31.096 31.823 0.084 0.000 0.686 300 V HN 0.220 nan 8.190 nan 0.000 0.468 301 F N -0.001 119.928 119.950 -0.036 0.000 2.113 301 F HA -0.177 4.353 4.527 0.005 0.000 0.297 301 F C 2.149 178.001 175.800 0.086 0.000 1.103 301 F CA 2.261 60.256 58.000 -0.007 0.000 1.248 301 F CB -0.655 38.379 39.000 0.056 0.000 0.999 301 F HN 0.344 nan 8.300 nan 0.000 0.475 302 Y N 0.938 121.239 120.300 0.003 0.000 2.224 302 Y HA -0.204 4.349 4.550 0.005 0.000 0.289 302 Y C 2.211 178.020 175.900 -0.152 0.000 1.146 302 Y CA 1.610 59.656 58.100 -0.089 0.000 1.182 302 Y CB -1.096 37.407 38.460 0.072 0.000 0.983 302 Y HN 0.256 nan 8.280 nan 0.000 0.524 303 L N -0.008 121.075 121.223 -0.234 0.000 1.997 303 L HA -0.319 4.024 4.340 0.005 0.000 0.216 303 L C 2.280 179.001 176.870 -0.248 0.000 1.074 303 L CA 2.623 57.255 54.840 -0.346 0.000 0.763 303 L CB -1.061 40.674 42.059 -0.540 0.000 0.890 303 L HN 0.383 nan 8.230 nan 0.000 0.434 304 H N -1.430 117.464 119.070 -0.294 0.000 2.363 304 H HA -0.071 4.488 4.556 0.005 0.000 0.301 304 H C 2.408 177.523 175.328 -0.354 0.000 1.074 304 H CA 1.020 56.862 56.048 -0.343 0.000 1.354 304 H CB -0.005 29.568 29.762 -0.315 0.000 1.397 304 H HN 0.601 nan 8.280 nan 0.000 0.516 305 S N 1.590 117.088 115.700 -0.336 0.000 2.356 305 S HA -0.237 4.236 4.470 0.005 0.000 0.223 305 S C 2.113 176.631 174.600 -0.137 0.000 1.032 305 S CA 1.254 59.253 58.200 -0.336 0.000 1.005 305 S CB -0.338 62.499 63.200 -0.606 0.000 0.867 305 S HN 0.539 nan 8.310 nan 0.000 0.449 306 R N 0.970 121.394 120.500 -0.127 0.000 2.120 306 R HA 0.013 4.356 4.340 0.005 0.000 0.234 306 R C 2.328 178.623 176.300 -0.009 0.000 1.123 306 R CA 1.370 57.431 56.100 -0.066 0.000 0.975 306 R CB -0.834 29.310 30.300 -0.260 0.000 0.866 306 R HN 0.462 nan 8.270 nan 0.000 0.446 307 L N 1.309 122.517 121.223 -0.026 0.000 1.988 307 L HA -0.047 4.296 4.340 0.005 0.000 0.207 307 L C 2.227 179.041 176.870 -0.093 0.000 1.071 307 L CA 1.611 56.397 54.840 -0.090 0.000 0.744 307 L CB -0.293 41.507 42.059 -0.432 0.000 0.893 307 L HN 0.197 nan 8.230 nan 0.000 0.433 308 L N -0.409 120.739 121.223 -0.124 0.000 2.376 308 L HA -0.088 4.255 4.340 0.005 0.000 0.219 308 L C 2.432 179.302 176.870 -0.000 0.000 1.133 308 L CA 0.476 55.283 54.840 -0.054 0.000 0.816 308 L CB -0.624 41.386 42.059 -0.081 0.000 0.933 308 L HN 0.337 nan 8.230 nan 0.000 0.449 309 E N 0.508 120.707 120.200 -0.002 0.000 2.265 309 E HA -0.182 4.171 4.350 0.005 0.000 0.196 309 E C 2.076 178.700 176.600 0.040 0.000 0.996 309 E CA 0.830 57.244 56.400 0.024 0.000 0.832 309 E CB 0.005 29.724 29.700 0.032 0.000 0.756 309 E HN 0.512 nan 8.360 nan 0.000 0.491 310 R N 0.411 120.939 120.500 0.047 0.000 2.280 310 R HA 0.075 4.418 4.340 0.005 0.000 0.207 310 R C 0.794 177.136 176.300 0.071 0.000 1.043 310 R CA 0.358 56.495 56.100 0.063 0.000 1.006 310 R CB 0.134 30.482 30.300 0.079 0.000 0.885 310 R HN -0.084 nan 8.270 nan 0.000 0.467 311 A N 1.274 124.136 122.820 0.071 0.000 2.302 311 A HA 0.645 4.968 4.320 0.005 0.000 0.295 311 A C -0.286 177.330 177.584 0.052 0.000 1.235 311 A CA -0.158 51.920 52.037 0.068 0.000 0.876 311 A CB 0.414 19.457 19.000 0.072 0.000 1.133 311 A HN 0.268 nan 8.150 nan 0.000 0.533 312 A N 2.561 125.412 122.820 0.052 0.000 2.609 312 A HA 0.764 5.087 4.320 0.005 0.000 0.291 312 A C -0.818 176.796 177.584 0.050 0.000 1.096 312 A CA -0.779 51.285 52.037 0.046 0.000 0.684 312 A CB 1.243 20.268 19.000 0.042 0.000 1.282 312 A HN 0.776 nan 8.150 nan 0.000 0.412 313 K N 1.304 121.734 120.400 0.050 0.000 2.339 313 K HA 0.678 5.001 4.320 0.005 0.000 0.264 313 K C -1.309 175.326 176.600 0.058 0.000 0.986 313 K CA -0.238 56.086 56.287 0.062 0.000 0.866 313 K CB 0.468 33.005 32.500 0.063 0.000 1.103 313 K HN 0.599 nan 8.250 nan 0.000 0.441 314 L N 3.086 124.339 121.223 0.051 0.000 2.418 314 L HA 0.345 4.688 4.340 0.005 0.000 0.265 314 L C 0.639 177.535 176.870 0.043 0.000 1.143 314 L CA -0.611 54.249 54.840 0.033 0.000 0.809 314 L CB 1.372 43.435 42.059 0.006 0.000 1.124 314 L HN 0.894 nan 8.230 nan 0.000 0.456 315 S N 0.226 115.943 115.700 0.028 0.000 2.617 315 S HA 0.053 4.526 4.470 0.005 0.000 0.259 315 S C 0.895 175.507 174.600 0.019 0.000 1.301 315 S CA -0.509 57.706 58.200 0.026 0.000 0.984 315 S CB 0.800 64.009 63.200 0.014 0.000 0.954 315 S HN 0.687 nan 8.310 nan 0.000 0.572 316 E N 0.522 120.731 120.200 0.015 0.000 2.097 316 E HA -0.206 4.147 4.350 0.005 0.000 0.196 316 E C 1.768 178.367 176.600 -0.001 0.000 1.000 316 E CA 1.262 57.667 56.400 0.008 0.000 0.804 316 E CB -0.170 29.531 29.700 0.002 0.000 0.740 316 E HN 0.639 nan 8.360 nan 0.000 0.454 317 K N 0.280 120.678 120.400 -0.004 0.000 2.504 317 K HA -0.083 4.240 4.320 0.005 0.000 0.195 317 K C 0.745 177.334 176.600 -0.018 0.000 1.036 317 K CA 0.639 56.920 56.287 -0.010 0.000 0.984 317 K CB 0.354 32.849 32.500 -0.008 0.000 0.788 317 K HN -0.006 nan 8.250 nan 0.000 0.488 318 E N -1.028 119.160 120.200 -0.020 0.000 2.693 318 E HA 0.108 4.461 4.350 0.005 0.000 0.214 318 E C 0.558 177.127 176.600 -0.051 0.000 0.990 318 E CA 0.308 56.688 56.400 -0.034 0.000 1.047 318 E CB 1.438 31.122 29.700 -0.027 0.000 1.039 318 E HN 0.416 nan 8.360 nan 0.000 0.475 319 G N 1.379 110.153 108.800 -0.044 0.000 2.213 319 G HA2 -0.335 3.629 3.960 0.005 0.000 0.236 319 G HA3 -0.335 3.629 3.960 0.005 0.000 0.236 319 G C 0.581 175.452 174.900 -0.049 0.000 0.991 319 G CA 0.233 45.298 45.100 -0.059 0.000 0.629 319 G HN 0.146 nan 8.290 nan 0.000 0.517 320 S N -0.797 114.889 115.700 -0.022 0.000 3.635 320 S HA -0.112 4.361 4.470 0.005 0.000 0.328 320 S C 1.341 175.922 174.600 -0.033 0.000 1.135 320 S CA 1.423 59.633 58.200 0.016 0.000 0.942 320 S CB -1.423 61.817 63.200 0.067 0.000 0.930 320 S HN 2.188 nan 8.310 nan 0.000 0.512 321 G N 1.289 110.031 108.800 -0.096 0.000 2.503 321 G HA2 0.516 4.479 3.960 0.005 0.000 0.257 321 G HA3 0.516 4.479 3.960 0.005 0.000 0.257 321 G C -0.095 174.788 174.900 -0.029 0.000 1.214 321 G CA 0.337 45.336 45.100 -0.169 0.000 0.839 321 G HN 1.041 nan 8.290 nan 0.000 0.559 322 S N 0.656 116.377 115.700 0.035 0.000 2.557 322 S HA 0.571 5.044 4.470 0.005 0.000 0.291 322 S C -1.124 173.554 174.600 0.129 0.000 1.116 322 S CA -0.842 57.449 58.200 0.152 0.000 0.992 322 S CB 1.859 65.236 63.200 0.294 0.000 1.028 322 S HN 0.592 nan 8.310 nan 0.000 0.484 323 L N 3.338 124.617 121.223 0.093 0.000 2.287 323 L HA 0.669 5.012 4.340 0.005 0.000 0.287 323 L C -0.429 176.475 176.870 0.056 0.000 1.022 323 L CA 0.298 55.190 54.840 0.086 0.000 0.814 323 L CB 1.587 43.701 42.059 0.092 0.000 1.217 323 L HN 0.930 nan 8.230 nan 0.000 0.420 324 T N 4.543 119.116 114.554 0.031 0.000 2.779 324 T HA 0.802 5.155 4.350 0.005 0.000 0.280 324 T C -0.398 174.290 174.700 -0.019 0.000 0.987 324 T CA -0.419 61.683 62.100 0.003 0.000 0.966 324 T CB 1.394 70.248 68.868 -0.023 0.000 0.933 324 T HN 0.750 nan 8.240 nan 0.000 0.442 325 A N 3.565 126.384 122.820 -0.001 0.000 2.318 325 A HA 0.773 5.096 4.320 0.005 0.000 0.324 325 A C -0.449 177.128 177.584 -0.012 0.000 1.170 325 A CA -0.712 51.319 52.037 -0.010 0.000 0.810 325 A CB 0.525 19.613 19.000 0.147 0.000 1.198 325 A HN 0.872 nan 8.150 nan 0.000 0.484 326 L N 4.716 125.901 121.223 -0.063 0.000 2.445 326 L HA 0.312 4.655 4.340 0.005 0.000 0.252 326 L C -2.332 174.539 176.870 0.002 0.000 1.105 326 L CA -1.766 53.059 54.840 -0.025 0.000 0.943 326 L CB 1.497 43.537 42.059 -0.033 0.000 1.277 326 L HN 0.505 nan 8.230 nan 0.000 0.465 327 P HA 0.093 nan 4.420 nan 0.000 0.271 327 P C -0.466 176.834 177.300 0.001 0.000 1.216 327 P CA -0.079 63.069 63.100 0.080 0.000 0.776 327 P CB 1.822 33.520 31.700 -0.004 0.000 0.881 328 V N 4.806 124.712 119.914 -0.013 0.000 2.435 328 V HA 0.372 4.495 4.120 0.005 0.000 0.290 328 V C 0.506 176.572 176.094 -0.047 0.000 1.030 328 V CA -0.557 61.727 62.300 -0.028 0.000 0.881 328 V CB 1.489 33.301 31.823 -0.018 0.000 0.983 328 V HN 0.430 nan 8.190 nan 0.000 0.445 329 I N 3.460 124.003 120.570 -0.044 0.000 2.569 329 I HA 0.470 4.643 4.170 0.005 0.000 0.296 329 I C -0.028 176.073 176.117 -0.026 0.000 1.028 329 I CA -0.467 60.810 61.300 -0.038 0.000 1.082 329 I CB 2.172 40.151 38.000 -0.035 0.000 1.264 329 I HN 0.747 nan 8.210 nan 0.000 0.429 330 E N 4.422 124.616 120.200 -0.010 0.000 2.113 330 E HA 0.355 4.708 4.350 0.005 0.000 0.273 330 E C -0.610 176.000 176.600 0.016 0.000 0.924 330 E CA -0.408 55.986 56.400 -0.011 0.000 0.764 330 E CB 1.203 30.902 29.700 -0.002 0.000 1.104 330 E HN 0.709 nan 8.360 nan 0.000 0.406 331 T N 1.852 116.416 114.554 0.016 0.000 2.899 331 T HA 0.274 4.627 4.350 0.005 0.000 0.284 331 T C 0.086 174.814 174.700 0.047 0.000 1.004 331 T CA -0.937 61.197 62.100 0.056 0.000 1.043 331 T CB 1.427 70.362 68.868 0.111 0.000 1.013 331 T HN 0.335 nan 8.240 nan 0.000 0.518 332 Q N 0.720 120.558 119.800 0.063 0.000 2.347 332 Q HA 0.438 4.781 4.340 0.005 0.000 0.262 332 Q C 0.965 176.998 176.000 0.056 0.000 0.980 332 Q CA 0.030 55.865 55.803 0.053 0.000 0.867 332 Q CB 1.163 29.937 28.738 0.059 0.000 1.242 332 Q HN 1.300 nan 8.270 nan 0.000 0.453 333 G N 2.036 110.863 108.800 0.044 0.000 2.356 333 G HA2 -0.256 3.708 3.960 0.005 0.000 0.296 333 G HA3 -0.256 3.708 3.960 0.005 0.000 0.296 333 G C 0.852 175.797 174.900 0.074 0.000 1.022 333 G CA 0.901 46.029 45.100 0.047 0.000 0.961 333 G HN 1.204 nan 8.290 nan 0.000 0.510 334 G N -0.708 108.154 108.800 0.103 0.000 2.180 334 G HA2 -0.263 3.700 3.960 0.005 0.000 0.263 334 G HA3 -0.263 3.700 3.960 0.005 0.000 0.263 334 G C 0.317 175.329 174.900 0.187 0.000 0.989 334 G CA 1.177 46.395 45.100 0.196 0.000 0.692 334 G HN 1.692 nan 8.290 nan 0.000 0.526 335 D N 0.288 120.761 120.400 0.123 0.000 2.374 335 D HA 0.393 5.036 4.640 0.005 0.000 0.240 335 D C 1.635 177.998 176.300 0.104 0.000 1.229 335 D CA 0.226 54.280 54.000 0.090 0.000 0.895 335 D CB 0.764 41.607 40.800 0.071 0.000 1.046 335 D HN 0.496 nan 8.370 nan 0.000 0.498 336 V N 1.289 121.253 119.914 0.082 0.000 3.623 336 V HA 0.066 4.189 4.120 0.005 0.000 0.271 336 V C 1.572 177.697 176.094 0.052 0.000 1.248 336 V CA 0.278 62.624 62.300 0.077 0.000 1.156 336 V CB -0.162 31.663 31.823 0.002 0.000 0.870 336 V HN 0.379 nan 8.190 nan 0.000 0.453 337 S N 0.590 116.320 115.700 0.049 0.000 2.593 337 S HA 0.497 4.970 4.470 0.005 0.000 0.217 337 S C 1.323 175.971 174.600 0.080 0.000 0.966 337 S CA 0.400 58.630 58.200 0.051 0.000 0.914 337 S CB -0.117 63.104 63.200 0.035 0.000 0.776 337 S HN 0.828 nan 8.310 nan 0.000 0.523 338 A N 0.636 123.512 122.820 0.094 0.000 2.429 338 A HA 0.271 4.594 4.320 0.005 0.000 0.242 338 A C 0.927 178.614 177.584 0.173 0.000 1.088 338 A CA -0.159 51.954 52.037 0.127 0.000 0.784 338 A CB -0.179 18.894 19.000 0.121 0.000 1.038 338 A HN 0.350 nan 8.150 nan 0.000 0.501 339 Y N 1.256 121.581 120.300 0.041 0.000 2.030 339 Y HA -0.252 4.301 4.550 0.005 0.000 0.274 339 Y C 2.012 177.910 175.900 -0.004 0.000 1.153 339 Y CA 2.289 60.403 58.100 0.023 0.000 1.115 339 Y CB -0.350 38.132 38.460 0.037 0.000 0.969 339 Y HN 0.511 nan 8.280 nan 0.000 0.488 340 I N 0.445 120.923 120.570 -0.153 0.000 2.179 340 I HA -0.219 3.954 4.170 0.005 0.000 0.242 340 I C -0.321 175.751 176.117 -0.074 0.000 1.088 340 I CA 1.541 62.687 61.300 -0.257 0.000 1.357 340 I CB -2.819 35.008 38.000 -0.289 0.000 1.051 340 I HN 0.194 nan 8.210 nan 0.000 0.409 341 P HA -0.157 nan 4.420 nan 0.000 0.214 341 P C 1.884 179.209 177.300 0.042 0.000 1.163 341 P CA 2.570 65.688 63.100 0.030 0.000 0.889 341 P CB -0.293 31.447 31.700 0.066 0.000 0.790 342 T N -3.824 110.768 114.554 0.063 0.000 2.833 342 T HA -0.142 4.211 4.350 0.005 0.000 0.269 342 T C 1.723 176.478 174.700 0.091 0.000 1.054 342 T CA 1.404 63.550 62.100 0.077 0.000 1.135 342 T CB -1.120 67.804 68.868 0.094 0.000 0.869 342 T HN -0.047 nan 8.240 nan 0.000 0.466 343 N N 1.361 120.108 118.700 0.079 0.000 2.058 343 N HA -0.037 4.706 4.740 0.005 0.000 0.191 343 N C 1.943 177.549 175.510 0.160 0.000 1.037 343 N CA 1.358 54.502 53.050 0.158 0.000 0.848 343 N CB -0.862 37.666 38.487 0.070 0.000 1.021 343 N HN 0.335 nan 8.380 nan 0.000 0.422 344 V N 1.282 121.229 119.914 0.055 0.000 2.427 344 V HA -0.101 4.022 4.120 0.005 0.000 0.248 344 V C 2.174 178.277 176.094 0.016 0.000 1.051 344 V CA 0.928 63.217 62.300 -0.017 0.000 1.048 344 V CB -0.425 31.320 31.823 -0.129 0.000 0.666 344 V HN 0.269 nan 8.190 nan 0.000 0.456 345 I N 1.288 121.882 120.570 0.041 0.000 2.264 345 I HA -0.237 3.936 4.170 0.005 0.000 0.248 345 I C 2.420 178.578 176.117 0.068 0.000 1.111 345 I CA 2.009 63.340 61.300 0.051 0.000 1.382 345 I CB -0.319 37.713 38.000 0.054 0.000 1.060 345 I HN 0.501 nan 8.210 nan 0.000 0.418 346 S N -0.323 115.440 115.700 0.104 0.000 2.603 346 S HA 0.146 4.619 4.470 0.005 0.000 0.220 346 S C 1.486 176.188 174.600 0.170 0.000 0.967 346 S CA 0.130 58.413 58.200 0.137 0.000 0.920 346 S CB -0.202 63.097 63.200 0.164 0.000 0.773 346 S HN 0.433 nan 8.310 nan 0.000 0.529 347 I N 1.410 122.051 120.570 0.118 0.000 3.565 347 I HA 0.081 4.254 4.170 0.005 0.000 0.287 347 I C 1.265 177.402 176.117 0.034 0.000 1.193 347 I CA 0.454 61.794 61.300 0.067 0.000 1.402 347 I CB -0.063 37.921 38.000 -0.026 0.000 1.284 347 I HN 0.334 nan 8.210 nan 0.000 0.454 348 T N -1.166 113.402 114.554 0.022 0.000 2.766 348 T HA 0.080 4.433 4.350 0.005 0.000 0.295 348 T C 0.112 174.830 174.700 0.031 0.000 1.024 348 T CA -0.406 61.706 62.100 0.019 0.000 1.018 348 T CB 0.633 69.508 68.868 0.012 0.000 1.002 348 T HN 0.031 nan 8.240 nan 0.000 0.532 349 D N 1.194 121.611 120.400 0.028 0.000 3.110 349 D HA 0.452 5.095 4.640 0.005 0.000 0.254 349 D C 0.983 177.300 176.300 0.028 0.000 1.283 349 D CA 0.215 54.233 54.000 0.029 0.000 0.944 349 D CB -0.417 40.398 40.800 0.026 0.000 1.066 349 D HN 1.067 nan 8.370 nan 0.000 0.496 350 G N 1.390 110.209 108.800 0.032 0.000 2.541 350 G HA2 0.059 4.022 3.960 0.005 0.000 0.686 350 G HA3 0.059 4.022 3.960 0.005 0.000 0.686 350 G C -1.446 173.479 174.900 0.040 0.000 1.286 350 G CA -1.103 44.018 45.100 0.036 0.000 0.894 350 G HN 0.224 nan 8.290 nan 0.000 0.575 351 Q N -1.292 118.540 119.800 0.053 0.000 2.353 351 Q HA 0.712 5.055 4.340 0.005 0.000 0.275 351 Q C -0.584 175.470 176.000 0.089 0.000 1.029 351 Q CA -0.709 55.136 55.803 0.069 0.000 0.848 351 Q CB 1.768 30.560 28.738 0.091 0.000 1.390 351 Q HN 0.785 nan 8.270 nan 0.000 0.401 352 I N 2.217 122.837 120.570 0.082 0.000 2.291 352 I HA 0.333 4.506 4.170 0.005 0.000 0.290 352 I C -0.845 175.343 176.117 0.119 0.000 1.050 352 I CA -0.597 60.758 61.300 0.092 0.000 1.245 352 I CB 0.325 38.356 38.000 0.052 0.000 1.405 352 I HN 0.552 nan 8.210 nan 0.000 0.478 353 F N 7.911 127.873 119.950 0.020 0.000 2.420 353 F HA 0.489 5.019 4.527 0.005 0.000 0.352 353 F C -0.548 175.269 175.800 0.028 0.000 1.108 353 F CA -0.439 57.573 58.000 0.020 0.000 1.162 353 F CB 0.587 39.599 39.000 0.020 0.000 1.118 353 F HN 0.219 nan 8.300 nan 0.000 0.510 354 L N 6.275 127.116 121.223 -0.636 0.000 2.276 354 L HA 0.359 4.702 4.340 0.005 0.000 0.286 354 L C -0.213 176.314 176.870 -0.573 0.000 1.024 354 L CA -0.638 53.964 54.840 -0.397 0.000 0.826 354 L CB 1.372 43.289 42.059 -0.236 0.000 1.211 354 L HN 0.611 nan 8.230 nan 0.000 0.422 355 E N 1.927 122.031 120.200 -0.160 0.000 2.259 355 E HA 0.256 4.609 4.350 0.005 0.000 0.281 355 E C 0.796 177.433 176.600 0.061 0.000 1.037 355 E CA -0.088 56.340 56.400 0.045 0.000 0.854 355 E CB 1.681 31.535 29.700 0.257 0.000 1.051 355 E HN 0.740 nan 8.360 nan 0.000 0.409 356 A N 4.503 127.348 122.820 0.041 0.000 2.019 356 A HA -0.205 4.118 4.320 0.005 0.000 0.219 356 A C 1.894 179.587 177.584 0.180 0.000 1.164 356 A CA 1.613 53.700 52.037 0.084 0.000 0.644 356 A CB -0.305 18.714 19.000 0.033 0.000 0.805 356 A HN 0.889 nan 8.150 nan 0.000 0.449 357 E N -0.060 120.233 120.200 0.156 0.000 2.051 357 E HA -0.160 4.193 4.350 0.005 0.000 0.192 357 E C 1.873 178.586 176.600 0.188 0.000 0.991 357 E CA 1.238 57.734 56.400 0.159 0.000 0.799 357 E CB -0.197 29.574 29.700 0.119 0.000 0.748 357 E HN 0.669 nan 8.360 nan 0.000 0.449 358 L N -0.186 121.140 121.223 0.171 0.000 2.056 358 L HA -0.111 4.232 4.340 0.005 0.000 0.207 358 L C 2.415 179.374 176.870 0.148 0.000 1.078 358 L CA 0.804 55.729 54.840 0.142 0.000 0.749 358 L CB -0.496 41.639 42.059 0.128 0.000 0.901 358 L HN 0.179 nan 8.230 nan 0.000 0.433 359 F N 0.016 120.002 119.950 0.061 0.000 2.095 359 F HA -0.323 4.207 4.527 0.005 0.000 0.298 359 F C 2.626 178.464 175.800 0.064 0.000 1.104 359 F CA 1.640 59.666 58.000 0.044 0.000 1.232 359 F CB -0.342 38.676 39.000 0.029 0.000 0.987 359 F HN -0.011 nan 8.300 nan 0.000 0.475 360 Y N 0.953 121.368 120.300 0.192 0.000 2.274 360 Y HA -0.181 4.371 4.550 0.004 0.000 0.290 360 Y C 2.256 178.156 175.900 0.000 0.000 1.145 360 Y CA 1.818 59.973 58.100 0.093 0.000 1.203 360 Y CB -0.435 38.090 38.460 0.108 0.000 0.984 360 Y HN -0.017 nan 8.280 nan 0.000 0.533 361 K N -0.826 119.579 120.400 0.007 0.000 2.211 361 K HA 0.024 4.347 4.320 0.005 0.000 0.203 361 K C 1.486 177.987 176.600 -0.165 0.000 1.050 361 K CA 1.082 57.327 56.287 -0.071 0.000 0.945 361 K CB -0.224 32.300 32.500 0.041 0.000 0.732 361 K HN 0.591 nan 8.250 nan 0.000 0.451 362 G N 0.537 109.212 108.800 -0.207 0.000 2.316 362 G HA2 -0.189 3.774 3.960 0.005 0.000 0.203 362 G HA3 -0.189 3.774 3.960 0.005 0.000 0.203 362 G C 0.156 174.946 174.900 -0.184 0.000 0.999 362 G CA -0.298 44.664 45.100 -0.229 0.000 0.649 362 G HN 0.148 nan 8.290 nan 0.000 0.489 363 I N 2.555 123.061 120.570 -0.107 0.000 2.577 363 I HA 0.318 4.491 4.170 0.005 0.000 0.299 363 I C 0.605 176.685 176.117 -0.061 0.000 1.157 363 I CA 0.487 61.757 61.300 -0.050 0.000 1.418 363 I CB -0.141 37.868 38.000 0.015 0.000 1.467 363 I HN 0.090 nan 8.210 nan 0.000 0.624 364 R N 6.102 126.548 120.500 -0.089 0.000 2.538 364 R HA 0.449 4.792 4.340 0.005 0.000 0.292 364 R C -2.728 173.556 176.300 -0.026 0.000 1.008 364 R CA -1.961 54.095 56.100 -0.073 0.000 0.896 364 R CB 1.405 31.567 30.300 -0.230 0.000 1.187 364 R HN 0.150 nan 8.270 nan 0.000 0.440 365 P HA -0.070 nan 4.420 nan 0.000 0.265 365 P C -0.289 177.060 177.300 0.081 0.000 1.187 365 P CA 0.240 63.377 63.100 0.061 0.000 0.766 365 P CB 0.709 32.438 31.700 0.048 0.000 0.820 366 A N 4.429 127.332 122.820 0.138 0.000 2.797 366 A HA 0.185 4.508 4.320 0.005 0.000 0.287 366 A C 0.641 178.290 177.584 0.109 0.000 1.369 366 A CA -0.345 51.780 52.037 0.147 0.000 0.968 366 A CB -1.081 18.080 19.000 0.269 0.000 1.069 366 A HN 0.502 nan 8.150 nan 0.000 0.571 367 I N 1.584 122.212 120.570 0.096 0.000 2.742 367 I HA -0.075 4.098 4.170 0.005 0.000 0.287 367 I C 0.455 176.656 176.117 0.141 0.000 1.186 367 I CA 0.047 61.410 61.300 0.105 0.000 1.417 367 I CB 0.226 38.280 38.000 0.090 0.000 1.377 367 I HN 0.380 nan 8.210 nan 0.000 0.556 368 N N 6.597 125.424 118.700 0.212 0.000 2.411 368 N HA 0.083 4.826 4.740 0.005 0.000 0.259 368 N C 0.661 176.263 175.510 0.153 0.000 1.103 368 N CA -0.140 53.042 53.050 0.221 0.000 0.954 368 N CB 1.663 40.374 38.487 0.374 0.000 1.085 368 N HN 0.373 nan 8.380 nan 0.000 0.485 369 V N 4.063 124.039 119.914 0.103 0.000 2.270 369 V HA -0.093 4.030 4.120 0.005 0.000 0.245 369 V C 2.396 178.523 176.094 0.055 0.000 1.043 369 V CA 2.116 64.464 62.300 0.080 0.000 1.014 369 V CB -1.050 30.818 31.823 0.075 0.000 0.645 369 V HN 0.774 nan 8.190 nan 0.000 0.447 370 G N -0.166 108.652 108.800 0.029 0.000 2.440 370 G HA2 -0.216 3.747 3.960 0.005 0.000 0.218 370 G HA3 -0.216 3.747 3.960 0.005 0.000 0.218 370 G C 1.556 176.448 174.900 -0.013 0.000 1.154 370 G CA 0.889 45.989 45.100 0.001 0.000 0.767 370 G HN 0.476 nan 8.290 nan 0.000 0.552 371 L N 0.776 121.983 121.223 -0.026 0.000 2.554 371 L HA 0.203 4.546 4.340 0.005 0.000 0.226 371 L C 0.790 177.669 176.870 0.016 0.000 1.137 371 L CA -0.046 54.745 54.840 -0.082 0.000 0.863 371 L CB 0.266 42.145 42.059 -0.300 0.000 0.985 371 L HN 0.009 nan 8.230 nan 0.000 0.451 372 S N -0.768 114.975 115.700 0.072 0.000 2.525 372 S HA 0.587 5.060 4.470 0.005 0.000 0.290 372 S C -0.608 174.028 174.600 0.059 0.000 1.152 372 S CA -0.389 57.867 58.200 0.092 0.000 1.072 372 S CB 2.550 65.819 63.200 0.115 0.000 1.027 372 S HN -0.092 nan 8.310 nan 0.000 0.500 373 V N 2.178 122.125 119.914 0.054 0.000 2.969 373 V HA 0.621 4.744 4.120 0.005 0.000 0.304 373 V C -0.741 175.376 176.094 0.039 0.000 1.192 373 V CA -0.505 61.820 62.300 0.042 0.000 0.962 373 V CB 2.510 34.352 31.823 0.032 0.000 1.045 373 V HN 0.825 nan 8.190 nan 0.000 0.428 374 S N 5.068 120.788 115.700 0.034 0.000 2.489 374 S HA 0.552 5.025 4.470 0.005 0.000 0.291 374 S C 0.705 175.320 174.600 0.025 0.000 1.151 374 S CA -0.571 57.646 58.200 0.027 0.000 1.082 374 S CB 1.413 64.626 63.200 0.022 0.000 1.019 374 S HN 0.762 nan 8.310 nan 0.000 0.492 375 R N 2.313 122.827 120.500 0.024 0.000 2.223 375 R HA 0.106 4.449 4.340 0.005 0.000 0.198 375 R C 1.311 177.625 176.300 0.022 0.000 0.984 375 R CA 1.111 57.225 56.100 0.024 0.000 1.018 375 R CB 0.113 30.428 30.300 0.026 0.000 0.945 375 R HN 0.660 nan 8.270 nan 0.000 0.479 376 V N -5.265 114.660 119.914 0.020 0.000 3.485 376 V HA 0.366 4.489 4.120 0.005 0.000 0.280 376 V C 1.673 177.776 176.094 0.014 0.000 1.495 376 V CA 0.594 62.905 62.300 0.019 0.000 1.018 376 V CB 0.444 32.279 31.823 0.020 0.000 0.818 376 V HN 0.124 nan 8.190 nan 0.000 0.436 377 G N 1.804 110.610 108.800 0.010 0.000 2.440 377 G HA2 -0.230 3.733 3.960 0.005 0.000 0.218 377 G HA3 -0.230 3.733 3.960 0.005 0.000 0.218 377 G C 1.548 176.451 174.900 0.005 0.000 1.154 377 G CA 1.573 46.674 45.100 0.001 0.000 0.767 377 G HN 0.574 nan 8.290 nan 0.000 0.552 378 S N 1.533 117.241 115.700 0.013 0.000 2.378 378 S HA -0.222 4.251 4.470 0.005 0.000 0.229 378 S C 2.559 177.169 174.600 0.017 0.000 1.052 378 S CA 1.499 59.709 58.200 0.017 0.000 1.084 378 S CB -0.648 62.564 63.200 0.020 0.000 0.950 378 S HN 0.663 nan 8.310 nan 0.000 0.440 379 A N 0.129 122.961 122.820 0.021 0.000 2.264 379 A HA 0.488 4.811 4.320 0.005 0.000 0.207 379 A C 1.707 179.312 177.584 0.035 0.000 1.196 379 A CA 1.134 53.189 52.037 0.029 0.000 0.778 379 A CB -0.549 18.471 19.000 0.033 0.000 0.779 379 A HN 0.568 nan 8.150 nan 0.000 0.483 380 A N -1.573 121.255 122.820 0.013 0.000 2.377 380 A HA 0.261 4.584 4.320 0.005 0.000 0.209 380 A C 0.892 178.456 177.584 -0.034 0.000 1.359 380 A CA 0.204 52.233 52.037 -0.013 0.000 1.026 380 A CB -0.180 18.794 19.000 -0.043 0.000 1.224 380 A HN 0.504 nan 8.150 nan 0.000 0.528 381 Q N 1.212 121.001 119.800 -0.017 0.000 2.337 381 Q HA 0.339 4.682 4.340 0.005 0.000 0.270 381 Q C -0.662 175.334 176.000 -0.007 0.000 1.002 381 Q CA -0.088 55.706 55.803 -0.015 0.000 0.888 381 Q CB 0.709 29.448 28.738 0.002 0.000 1.222 381 Q HN 0.173 nan 8.270 nan 0.000 0.400 382 V N 5.756 125.664 119.914 -0.010 0.000 2.584 382 V HA -0.151 3.972 4.120 0.005 0.000 0.303 382 V C 1.221 177.326 176.094 0.019 0.000 1.035 382 V CA 0.739 63.041 62.300 0.004 0.000 1.172 382 V CB 0.341 32.172 31.823 0.013 0.000 0.896 382 V HN 0.910 nan 8.190 nan 0.000 0.486 383 K N 4.024 124.437 120.400 0.021 0.000 2.211 383 K HA -0.200 4.123 4.320 0.005 0.000 0.204 383 K C 2.126 178.745 176.600 0.031 0.000 1.047 383 K CA 1.437 57.739 56.287 0.025 0.000 0.935 383 K CB -0.209 32.306 32.500 0.024 0.000 0.728 383 K HN 0.831 nan 8.250 nan 0.000 0.452 384 A N 1.444 124.284 122.820 0.034 0.000 1.877 384 A HA -0.144 4.179 4.320 0.005 0.000 0.216 384 A C 2.121 179.735 177.584 0.050 0.000 1.186 384 A CA 1.245 53.306 52.037 0.040 0.000 0.620 384 A CB -0.597 18.426 19.000 0.038 0.000 0.822 384 A HN 0.187 nan 8.150 nan 0.000 0.443 385 L N -0.918 120.334 121.223 0.048 0.000 2.093 385 L HA -0.170 4.173 4.340 0.005 0.000 0.208 385 L C 2.606 179.505 176.870 0.048 0.000 1.085 385 L CA 1.718 56.590 54.840 0.053 0.000 0.755 385 L CB -0.274 41.813 42.059 0.047 0.000 0.904 385 L HN 0.440 nan 8.230 nan 0.000 0.435 386 K N -0.304 120.120 120.400 0.040 0.000 2.103 386 K HA -0.237 4.086 4.320 0.005 0.000 0.207 386 K C 2.069 178.691 176.600 0.036 0.000 1.048 386 K CA 1.527 57.835 56.287 0.035 0.000 0.930 386 K CB 0.108 32.625 32.500 0.029 0.000 0.716 386 K HN 0.394 nan 8.250 nan 0.000 0.444 387 Q N -0.322 119.505 119.800 0.044 0.000 2.062 387 Q HA -0.088 4.256 4.340 0.005 0.000 0.196 387 Q C 2.093 178.127 176.000 0.055 0.000 0.967 387 Q CA 1.490 57.321 55.803 0.047 0.000 0.832 387 Q CB 0.024 28.795 28.738 0.055 0.000 0.899 387 Q HN 0.280 nan 8.270 nan 0.000 0.442 388 V N -1.477 118.485 119.914 0.080 0.000 2.626 388 V HA 0.061 4.184 4.120 0.005 0.000 0.252 388 V C 1.485 177.604 176.094 0.040 0.000 1.067 388 V CA 1.248 63.607 62.300 0.097 0.000 1.081 388 V CB -0.879 31.044 31.823 0.166 0.000 0.686 388 V HN 0.227 nan 8.190 nan 0.000 0.468 389 A N 1.427 124.269 122.820 0.037 0.000 3.105 389 A HA 0.621 4.944 4.320 0.005 0.000 0.272 389 A C 1.102 178.692 177.584 0.009 0.000 1.466 389 A CA 0.309 52.358 52.037 0.020 0.000 1.101 389 A CB -1.319 17.703 19.000 0.037 0.000 1.065 389 A HN 0.693 nan 8.150 nan 0.000 0.643 390 G N -0.286 108.507 108.800 -0.011 0.000 2.327 390 G HA2 0.382 4.345 3.960 0.005 0.000 0.278 390 G HA3 0.382 4.345 3.960 0.005 0.000 0.278 390 G C 0.763 175.649 174.900 -0.023 0.000 1.145 390 G CA 0.583 45.673 45.100 -0.016 0.000 1.097 390 G HN 0.945 nan 8.290 nan 0.000 0.430 391 S N 0.800 116.506 115.700 0.010 0.000 3.257 391 S HA -0.262 4.211 4.470 0.005 0.000 0.300 391 S C 1.718 176.364 174.600 0.077 0.000 1.275 391 S CA 0.862 59.086 58.200 0.039 0.000 1.023 391 S CB -1.370 61.851 63.200 0.035 0.000 1.180 391 S HN 0.833 nan 8.310 nan 0.000 0.660 392 L N 1.597 122.851 121.223 0.052 0.000 2.051 392 L HA -0.172 4.171 4.340 0.005 0.000 0.214 392 L C 2.147 179.116 176.870 0.165 0.000 1.076 392 L CA 2.856 57.752 54.840 0.094 0.000 0.758 392 L CB -0.484 41.609 42.059 0.056 0.000 0.890 392 L HN 0.354 nan 8.230 nan 0.000 0.433 393 K N -0.290 120.178 120.400 0.113 0.000 1.978 393 K HA -0.177 4.146 4.320 0.005 0.000 0.214 393 K C 1.994 178.660 176.600 0.110 0.000 1.049 393 K CA 2.244 58.592 56.287 0.101 0.000 0.939 393 K CB -0.734 31.808 32.500 0.070 0.000 0.721 393 K HN 0.396 nan 8.250 nan 0.000 0.441 394 L N 0.008 121.294 121.223 0.106 0.000 2.265 394 L HA -0.090 4.254 4.340 0.005 0.000 0.215 394 L C 2.187 179.130 176.870 0.122 0.000 1.117 394 L CA 0.864 55.759 54.840 0.092 0.000 0.782 394 L CB -0.353 41.752 42.059 0.077 0.000 0.914 394 L HN 0.228 nan 8.230 nan 0.000 0.441 395 F N 0.201 120.168 119.950 0.027 0.000 2.098 395 F HA -0.139 4.390 4.527 0.004 0.000 0.294 395 F C 2.050 177.897 175.800 0.078 0.000 1.107 395 F CA 1.413 59.435 58.000 0.037 0.000 1.234 395 F CB -0.112 38.897 39.000 0.016 0.000 1.002 395 F HN -0.157 nan 8.300 nan 0.000 0.472 396 L N 0.155 121.426 121.223 0.080 0.000 2.275 396 L HA -0.080 4.263 4.340 0.005 0.000 0.215 396 L C 2.454 179.317 176.870 -0.012 0.000 1.119 396 L CA 0.844 55.704 54.840 0.033 0.000 0.790 396 L CB -0.869 41.290 42.059 0.166 0.000 0.919 396 L HN 0.272 nan 8.230 nan 0.000 0.443 397 A N -1.264 121.549 122.820 -0.013 0.000 2.235 397 A HA -0.069 4.254 4.320 0.005 0.000 0.208 397 A C 2.059 179.596 177.584 -0.078 0.000 1.172 397 A CA 0.802 52.822 52.037 -0.028 0.000 0.786 397 A CB -0.044 18.955 19.000 -0.001 0.000 0.804 397 A HN 0.472 nan 8.150 nan 0.000 0.479 398 Q N -2.820 116.896 119.800 -0.140 0.000 2.404 398 Q HA 0.040 4.383 4.340 0.005 0.000 0.262 398 Q C 1.668 177.538 176.000 -0.216 0.000 0.846 398 Q CA 0.366 56.070 55.803 -0.165 0.000 0.978 398 Q CB -0.087 28.570 28.738 -0.135 0.000 1.156 398 Q HN 0.764 nan 8.270 nan 0.000 0.548 399 Y N 2.185 122.207 120.300 -0.463 0.000 2.128 399 Y HA -0.165 4.387 4.550 0.002 0.000 0.284 399 Y C 2.114 177.904 175.900 -0.184 0.000 1.154 399 Y CA 1.690 59.553 58.100 -0.395 0.000 1.149 399 Y CB -0.169 37.967 38.460 -0.541 0.000 0.976 399 Y HN -0.123 nan 8.280 nan 0.000 0.505 400 R N 0.274 120.440 120.500 -0.556 0.000 2.127 400 R HA -0.181 4.162 4.340 0.005 0.000 0.238 400 R C 2.234 178.353 176.300 -0.303 0.000 1.134 400 R CA 1.862 57.648 56.100 -0.523 0.000 0.975 400 R CB -0.151 30.009 30.300 -0.234 0.000 0.865 400 R HN 0.580 nan 8.270 nan 0.000 0.447 401 E N -0.688 119.393 120.200 -0.198 0.000 2.028 401 E HA -0.118 4.235 4.350 0.005 0.000 0.190 401 E C 1.838 178.421 176.600 -0.028 0.000 0.984 401 E CA 1.230 57.580 56.400 -0.082 0.000 0.800 401 E CB 0.192 29.832 29.700 -0.100 0.000 0.758 401 E HN 0.112 nan 8.360 nan 0.000 0.448 402 V N 1.296 121.151 119.914 -0.098 0.000 2.759 402 V HA -0.182 3.941 4.120 0.005 0.000 0.256 402 V C 2.175 178.276 176.094 0.012 0.000 1.080 402 V CA 1.424 63.701 62.300 -0.037 0.000 1.101 402 V CB -0.564 31.233 31.823 -0.044 0.000 0.698 402 V HN 0.268 nan 8.190 nan 0.000 0.477 403 A N 0.417 123.171 122.820 -0.112 0.000 1.898 403 A HA -0.049 4.274 4.320 0.005 0.000 0.216 403 A C 2.425 179.988 177.584 -0.034 0.000 1.181 403 A CA 1.868 53.832 52.037 -0.123 0.000 0.620 403 A CB -0.623 18.143 19.000 -0.390 0.000 0.819 403 A HN 0.546 nan 8.150 nan 0.000 0.442 404 A N -1.532 121.284 122.820 -0.007 0.000 1.968 404 A HA 0.090 4.413 4.320 0.005 0.000 0.217 404 A C 1.786 179.358 177.584 -0.021 0.000 1.169 404 A CA 1.177 53.207 52.037 -0.013 0.000 0.638 404 A CB -0.634 18.354 19.000 -0.020 0.000 0.812 404 A HN 0.441 nan 8.150 nan 0.000 0.446 405 F N -0.123 119.793 119.950 -0.057 0.000 2.661 405 F HA 0.129 4.655 4.527 -0.000 0.000 0.298 405 F C 2.464 178.248 175.800 -0.027 0.000 1.137 405 F CA 0.402 58.379 58.000 -0.038 0.000 1.454 405 F CB -0.117 38.861 39.000 -0.037 0.000 1.103 405 F HN 0.269 nan 8.300 nan 0.000 0.577 406 A N -0.633 122.258 122.820 0.119 0.000 1.872 406 A HA -0.073 4.250 4.320 0.005 0.000 0.214 406 A C 1.502 179.105 177.584 0.031 0.000 1.187 406 A CA 0.597 52.676 52.037 0.070 0.000 0.614 406 A CB -0.478 18.557 19.000 0.058 0.000 0.826 406 A HN 0.296 nan 8.150 nan 0.000 0.442 411 D N 0.310 120.726 120.400 0.027 0.000 2.859 411 D HA 0.464 5.107 4.640 0.005 0.000 0.223 411 D C -1.102 175.212 176.300 0.024 0.000 1.218 411 D CA -0.318 53.696 54.000 0.024 0.000 0.850 411 D CB 1.927 42.743 40.800 0.025 0.000 1.656 411 D HN 0.207 nan 8.370 nan 0.000 0.484 412 L N 2.089 123.324 121.223 0.019 0.000 2.598 412 L HA 0.177 4.520 4.340 0.005 0.000 0.241 412 L C 0.473 177.354 176.870 0.018 0.000 1.244 412 L CA -0.498 54.354 54.840 0.019 0.000 1.198 412 L CB -0.094 41.974 42.059 0.015 0.000 1.448 412 L HN 0.179 nan 8.230 nan 0.000 0.406 413 D N 0.556 120.969 120.400 0.021 0.000 2.368 413 D HA 0.196 4.839 4.640 0.005 0.000 0.240 413 D C 0.820 177.130 176.300 0.017 0.000 1.169 413 D CA 0.388 54.398 54.000 0.018 0.000 0.906 413 D CB 1.721 42.533 40.800 0.021 0.000 1.187 413 D HN 0.325 nan 8.370 nan 0.000 0.435 414 A N 1.740 124.568 122.820 0.013 0.000 1.850 414 A HA -0.066 4.257 4.320 0.005 0.000 0.212 414 A C 2.132 179.722 177.584 0.011 0.000 1.208 414 A CA 1.385 53.428 52.037 0.010 0.000 0.609 414 A CB -0.799 18.204 19.000 0.006 0.000 0.860 414 A HN 0.517 nan 8.150 nan 0.000 0.448 415 S N -0.214 115.493 115.700 0.011 0.000 2.368 415 S HA -0.136 4.337 4.470 0.005 0.000 0.224 415 S C 2.072 176.685 174.600 0.023 0.000 1.029 415 S CA 2.298 60.506 58.200 0.013 0.000 0.988 415 S CB -0.634 62.572 63.200 0.010 0.000 0.838 415 S HN 0.766 nan 8.310 nan 0.000 0.462 416 T N -1.176 113.394 114.554 0.026 0.000 3.085 416 T HA 0.174 4.527 4.350 0.005 0.000 0.263 416 T C 1.626 176.355 174.700 0.048 0.000 1.127 416 T CA 0.658 62.781 62.100 0.039 0.000 1.103 416 T CB -0.163 68.725 68.868 0.033 0.000 0.921 416 T HN 0.321 nan 8.240 nan 0.000 0.510 417 K N 0.793 121.214 120.400 0.035 0.000 2.103 417 K HA -0.012 4.311 4.320 0.005 0.000 0.204 417 K C 2.541 179.157 176.600 0.027 0.000 1.052 417 K CA 0.868 57.175 56.287 0.033 0.000 0.945 417 K CB -0.074 32.440 32.500 0.022 0.000 0.722 417 K HN 0.435 nan 8.250 nan 0.000 0.443 418 Q N -0.083 119.728 119.800 0.019 0.000 2.123 418 Q HA -0.114 4.229 4.340 0.005 0.000 0.199 418 Q C 1.729 177.738 176.000 0.016 0.000 0.966 418 Q CA 1.839 57.645 55.803 0.005 0.000 0.845 418 Q CB 0.097 28.832 28.738 -0.006 0.000 0.907 418 Q HN 0.419 nan 8.270 nan 0.000 0.439 419 T N -0.713 113.872 114.554 0.052 0.000 2.833 419 T HA -0.165 4.188 4.350 0.005 0.000 0.269 419 T C 1.717 176.466 174.700 0.082 0.000 1.054 419 T CA 1.065 63.232 62.100 0.112 0.000 1.135 419 T CB -0.284 68.674 68.868 0.151 0.000 0.869 419 T HN 0.277 nan 8.240 nan 0.000 0.466 420 L N 1.349 122.616 121.223 0.073 0.000 2.093 420 L HA 0.134 4.477 4.340 0.005 0.000 0.208 420 L C 2.515 179.361 176.870 -0.039 0.000 1.085 420 L CA 1.239 56.132 54.840 0.089 0.000 0.755 420 L CB -0.647 41.496 42.059 0.140 0.000 0.904 420 L HN 0.177 nan 8.230 nan 0.000 0.435 421 V N -0.141 119.754 119.914 -0.031 0.000 2.358 421 V HA -0.193 3.930 4.120 0.005 0.000 0.246 421 V C 2.806 178.832 176.094 -0.113 0.000 1.047 421 V CA 1.528 63.791 62.300 -0.062 0.000 1.035 421 V CB -0.841 30.956 31.823 -0.044 0.000 0.658 421 V HN 0.416 nan 8.190 nan 0.000 0.452 422 R N 0.507 120.951 120.500 -0.094 0.000 2.083 422 R HA -0.129 4.214 4.340 0.005 0.000 0.237 422 R C 2.480 178.689 176.300 -0.152 0.000 1.137 422 R CA 1.692 57.735 56.100 -0.094 0.000 0.951 422 R CB -1.190 29.100 30.300 -0.016 0.000 0.851 422 R HN 0.583 nan 8.270 nan 0.000 0.434 423 G N 1.047 109.626 108.800 -0.369 0.000 2.446 423 G HA2 -0.252 3.711 3.960 0.005 0.000 0.217 423 G HA3 -0.252 3.711 3.960 0.005 0.000 0.217 423 G C 1.298 175.662 174.900 -0.893 0.000 1.168 423 G CA 0.445 44.847 45.100 -1.163 0.000 0.771 423 G HN 0.352 nan 8.290 nan 0.000 0.551 424 E N -0.017 119.869 120.200 -0.524 0.000 2.150 424 E HA -0.065 4.288 4.350 0.005 0.000 0.193 424 E C 2.825 179.355 176.600 -0.116 0.000 0.985 424 E CA 0.335 56.633 56.400 -0.171 0.000 0.814 424 E CB 0.004 29.676 29.700 -0.047 0.000 0.752 424 E HN 0.150 nan 8.360 nan 0.000 0.466 425 R N 0.467 120.883 120.500 -0.140 0.000 2.090 425 R HA -0.007 4.336 4.340 0.005 0.000 0.228 425 R C 2.388 178.627 176.300 -0.101 0.000 1.110 425 R CA 0.534 56.562 56.100 -0.120 0.000 0.973 425 R CB -0.687 29.527 30.300 -0.143 0.000 0.869 425 R HN 0.226 nan 8.270 nan 0.000 0.440 426 L N 0.129 121.294 121.223 -0.097 0.000 2.156 426 L HA -0.092 4.251 4.340 0.005 0.000 0.208 426 L C 2.182 179.052 176.870 -0.001 0.000 1.095 426 L CA 1.209 56.025 54.840 -0.040 0.000 0.770 426 L CB -0.525 41.540 42.059 0.010 0.000 0.914 426 L HN 0.140 nan 8.230 nan 0.000 0.439 427 T N -1.128 113.422 114.554 -0.007 0.000 2.643 427 T HA -0.215 4.138 4.350 0.005 0.000 0.264 427 T C 1.864 176.582 174.700 0.030 0.000 1.045 427 T CA 1.118 63.249 62.100 0.051 0.000 1.155 427 T CB -0.156 68.772 68.868 0.101 0.000 0.863 427 T HN 0.261 nan 8.240 nan 0.000 0.420 428 Q N 0.326 120.130 119.800 0.006 0.000 2.291 428 Q HA 0.013 4.356 4.340 0.005 0.000 0.206 428 Q C 2.258 178.260 176.000 0.003 0.000 0.976 428 Q CA 0.712 56.515 55.803 0.001 0.000 0.875 428 Q CB -0.423 28.307 28.738 -0.014 0.000 0.927 428 Q HN 0.352 nan 8.270 nan 0.000 0.450 429 L N -0.193 121.028 121.223 -0.004 0.000 2.291 429 L HA -0.037 4.307 4.340 0.005 0.000 0.214 429 L C 1.635 178.525 176.870 0.035 0.000 1.120 429 L CA 1.230 56.075 54.840 0.010 0.000 0.799 429 L CB -0.058 41.994 42.059 -0.012 0.000 0.925 429 L HN 0.104 nan 8.230 nan 0.000 0.446 430 L N -0.970 120.274 121.223 0.035 0.000 2.607 430 L HA 0.122 4.465 4.340 0.005 0.000 0.228 430 L C 0.634 177.526 176.870 0.035 0.000 1.123 430 L CA -0.163 54.703 54.840 0.044 0.000 0.890 430 L CB -0.219 41.873 42.059 0.054 0.000 1.103 430 L HN 0.024 nan 8.230 nan 0.000 0.468 431 K N 1.758 122.173 120.400 0.025 0.000 2.412 431 K HA 0.181 4.504 4.320 0.005 0.000 0.281 431 K C -0.194 176.414 176.600 0.012 0.000 1.027 431 K CA 0.297 56.589 56.287 0.008 0.000 0.989 431 K CB 0.801 33.298 32.500 -0.005 0.000 0.935 431 K HN 0.036 nan 8.250 nan 0.000 0.475 432 Q N 2.389 122.189 119.800 -0.001 0.000 2.345 432 Q HA 0.191 4.534 4.340 0.005 0.000 0.275 432 Q C -1.147 174.840 176.000 -0.021 0.000 1.063 432 Q CA -0.856 54.949 55.803 0.003 0.000 0.819 432 Q CB 1.591 30.336 28.738 0.013 0.000 1.356 432 Q HN 0.470 nan 8.270 nan 0.000 0.418 433 N N 1.960 120.651 118.700 -0.015 0.000 2.482 433 N HA 0.050 4.793 4.740 0.005 0.000 0.260 433 N C -0.785 174.678 175.510 -0.078 0.000 1.236 433 N CA 0.113 53.143 53.050 -0.033 0.000 0.938 433 N CB 0.991 39.480 38.487 0.005 0.000 1.128 433 N HN 0.568 nan 8.380 nan 0.000 0.448 434 Q N 0.718 120.419 119.800 -0.166 0.000 2.354 434 Q HA 0.040 4.383 4.340 0.005 0.000 0.244 434 Q C -0.406 175.388 176.000 -0.343 0.000 0.969 434 Q CA -0.167 55.389 55.803 -0.412 0.000 0.885 434 Q CB 0.295 28.610 28.738 -0.705 0.000 1.241 434 Q HN 0.593 nan 8.270 nan 0.000 0.461 435 Y N -0.196 120.086 120.300 -0.030 0.000 4.324 435 Y HA -0.257 4.296 4.550 0.006 0.000 0.224 435 Y C 0.043 175.950 175.900 0.011 0.000 1.113 435 Y CA 0.850 58.911 58.100 -0.066 0.000 1.887 435 Y CB -2.318 36.112 38.460 -0.051 0.000 1.602 435 Y HN 0.397 nan 8.280 nan 0.000 0.654 436 S N -0.004 115.745 115.700 0.081 0.000 2.558 436 S HA 0.246 4.719 4.470 0.005 0.000 0.238 436 S C -2.263 172.368 174.600 0.051 0.000 1.183 436 S CA -0.768 57.478 58.200 0.078 0.000 1.185 436 S CB 0.765 64.003 63.200 0.063 0.000 1.003 436 S HN 0.161 nan 8.310 nan 0.000 0.478 437 P HA 0.234 nan 4.420 nan 0.000 0.271 437 P C -0.694 176.632 177.300 0.043 0.000 1.216 437 P CA -0.169 62.959 63.100 0.046 0.000 0.771 437 P CB 0.788 32.522 31.700 0.056 0.000 0.864 438 L N 1.859 123.109 121.223 0.045 0.000 2.331 438 L HA 0.629 4.972 4.340 0.005 0.000 0.275 438 L C 0.867 177.763 176.870 0.043 0.000 1.022 438 L CA -1.254 53.607 54.840 0.035 0.000 0.812 438 L CB 1.589 43.672 42.059 0.040 0.000 1.257 438 L HN 0.368 nan 8.230 nan 0.000 0.435 439 A N 1.160 123.987 122.820 0.012 0.000 2.386 439 A HA 0.284 4.607 4.320 0.005 0.000 0.248 439 A C 1.221 178.838 177.584 0.054 0.000 1.082 439 A CA -0.111 51.938 52.037 0.020 0.000 0.789 439 A CB 0.287 19.253 19.000 -0.056 0.000 1.025 439 A HN 0.888 nan 8.150 nan 0.000 0.490 440 T N 0.993 115.603 114.554 0.094 0.000 2.699 440 T HA -0.203 4.150 4.350 0.005 0.000 0.268 440 T C 1.722 176.453 174.700 0.053 0.000 1.036 440 T CA 1.866 64.017 62.100 0.084 0.000 1.147 440 T CB -0.283 68.647 68.868 0.103 0.000 0.862 440 T HN 0.894 nan 8.240 nan 0.000 0.446 441 E N 1.790 122.008 120.200 0.031 0.000 2.204 441 E HA -0.212 4.141 4.350 0.005 0.000 0.195 441 E C 1.655 178.252 176.600 -0.004 0.000 0.990 441 E CA 1.268 57.670 56.400 0.005 0.000 0.821 441 E CB -0.280 29.408 29.700 -0.019 0.000 0.750 441 E HN 0.596 nan 8.360 nan 0.000 0.477 442 E N 0.451 120.652 120.200 0.003 0.000 2.230 442 E HA -0.064 4.290 4.350 0.005 0.000 0.192 442 E C 2.214 178.845 176.600 0.053 0.000 0.987 442 E CA 0.442 56.846 56.400 0.006 0.000 0.841 442 E CB 0.127 29.827 29.700 0.001 0.000 0.783 442 E HN 0.390 nan 8.360 nan 0.000 0.481 443 Q N 0.294 120.132 119.800 0.062 0.000 2.020 443 Q HA -0.131 4.212 4.340 0.005 0.000 0.198 443 Q C 2.571 178.633 176.000 0.104 0.000 0.974 443 Q CA 1.800 57.653 55.803 0.084 0.000 0.829 443 Q CB -0.201 28.582 28.738 0.075 0.000 0.894 443 Q HN 0.249 nan 8.270 nan 0.000 0.433 444 V N -0.602 119.366 119.914 0.090 0.000 2.278 444 V HA -0.202 3.921 4.120 0.005 0.000 0.251 444 V C -0.842 175.349 176.094 0.163 0.000 1.062 444 V CA 1.646 64.010 62.300 0.107 0.000 1.038 444 V CB -2.354 29.513 31.823 0.073 0.000 0.646 444 V HN 0.230 nan 8.190 nan 0.000 0.447 445 P HA 0.027 nan 4.420 nan 0.000 0.218 445 P C 2.098 179.643 177.300 0.408 0.000 1.152 445 P CA 1.114 64.378 63.100 0.273 0.000 0.826 445 P CB -0.128 31.692 31.700 0.200 0.000 0.790 446 L N -1.158 120.266 121.223 0.335 0.000 2.042 446 L HA -0.180 4.163 4.340 0.005 0.000 0.210 446 L C 2.373 179.363 176.870 0.199 0.000 1.076 446 L CA 1.512 56.533 54.840 0.301 0.000 0.749 446 L CB -0.841 41.357 42.059 0.232 0.000 0.893 446 L HN -0.091 nan 8.230 nan 0.000 0.432 447 I N -1.953 118.722 120.570 0.174 0.000 2.353 447 I HA -0.295 3.878 4.170 0.005 0.000 0.248 447 I C 2.432 178.619 176.117 0.116 0.000 1.119 447 I CA 1.037 62.405 61.300 0.113 0.000 1.417 447 I CB -0.321 37.737 38.000 0.096 0.000 1.078 447 I HN 0.123 nan 8.210 nan 0.000 0.421 448 Y N 1.687 122.036 120.300 0.083 0.000 2.165 448 Y HA -0.319 4.235 4.550 0.007 0.000 0.286 448 Y C 2.508 178.475 175.900 0.111 0.000 1.155 448 Y CA 1.637 59.791 58.100 0.091 0.000 1.164 448 Y CB -0.175 38.362 38.460 0.128 0.000 0.978 448 Y HN 0.135 nan 8.280 nan 0.000 0.513 449 A N -0.500 122.485 122.820 0.275 0.000 2.067 449 A HA 0.009 4.332 4.320 0.005 0.000 0.219 449 A C 2.309 179.873 177.584 -0.033 0.000 1.158 449 A CA 1.456 53.605 52.037 0.187 0.000 0.661 449 A CB -1.338 17.688 19.000 0.044 0.000 0.801 449 A HN 0.587 nan 8.150 nan 0.000 0.452 450 G N -0.703 108.048 108.800 -0.081 0.000 2.471 450 G HA2 0.052 4.015 3.960 0.005 0.000 0.211 450 G HA3 0.052 4.015 3.960 0.005 0.000 0.211 450 G C 1.419 176.189 174.900 -0.218 0.000 1.194 450 G CA 0.908 45.918 45.100 -0.150 0.000 0.816 450 G HN 0.231 nan 8.290 nan 0.000 0.545 451 V N 2.177 121.957 119.914 -0.224 0.000 2.380 451 V HA -0.175 3.948 4.120 0.005 0.000 0.251 451 V C 1.833 177.710 176.094 -0.363 0.000 1.063 451 V CA 1.686 63.806 62.300 -0.300 0.000 1.055 451 V CB -0.428 31.246 31.823 -0.248 0.000 0.657 451 V HN 0.360 nan 8.190 nan 0.000 0.455 452 N N 0.117 118.557 118.700 -0.434 0.000 2.313 452 N HA 0.158 4.901 4.740 0.005 0.000 0.207 452 N C 1.432 176.571 175.510 -0.619 0.000 1.141 452 N CA 0.902 53.626 53.050 -0.544 0.000 0.830 452 N CB 0.822 38.863 38.487 -0.742 0.000 1.008 452 N HN 0.598 nan 8.380 nan 0.000 0.481 453 G N 0.813 109.350 108.800 -0.439 0.000 2.179 453 G HA2 -0.316 3.647 3.960 0.005 0.000 0.257 453 G HA3 -0.316 3.647 3.960 0.005 0.000 0.257 453 G C 0.470 175.182 174.900 -0.314 0.000 1.010 453 G CA 0.430 45.325 45.100 -0.343 0.000 0.736 453 G HN 0.572 nan 8.290 nan 0.000 0.513 454 H N -0.778 118.201 119.070 -0.152 0.000 2.555 454 H HA 0.302 4.862 4.556 0.006 0.000 0.269 454 H C 2.462 177.679 175.328 -0.184 0.000 0.988 454 H CA 0.987 56.962 56.048 -0.121 0.000 1.178 454 H CB 0.165 29.889 29.762 -0.064 0.000 1.373 454 H HN 0.494 nan 8.280 nan 0.000 0.588 455 L N -0.273 120.851 121.223 -0.165 0.000 2.554 455 L HA 0.049 4.392 4.340 0.005 0.000 0.225 455 L C 0.905 177.664 176.870 -0.185 0.000 1.104 455 L CA 0.054 54.730 54.840 -0.275 0.000 0.866 455 L CB 0.232 42.072 42.059 -0.365 0.000 1.047 455 L HN 0.113 nan 8.230 nan 0.000 0.468 456 D N 1.110 121.426 120.400 -0.141 0.000 2.310 456 D HA -0.100 4.543 4.640 0.005 0.000 0.212 456 D C 2.026 178.278 176.300 -0.081 0.000 0.965 456 D CA 1.101 55.035 54.000 -0.110 0.000 0.879 456 D CB -0.038 40.699 40.800 -0.106 0.000 0.921 456 D HN 0.305 nan 8.370 nan 0.000 0.510 457 G N -0.413 108.343 108.800 -0.073 0.000 3.042 457 G HA2 0.191 4.154 3.960 0.005 0.000 0.212 457 G HA3 0.191 4.154 3.960 0.005 0.000 0.212 457 G C 0.526 175.395 174.900 -0.051 0.000 1.166 457 G CA -0.235 44.835 45.100 -0.051 0.000 0.767 457 G HN 0.174 nan 8.290 nan 0.000 0.546 458 I N 0.642 121.168 120.570 -0.074 0.000 2.498 458 I HA 0.246 4.419 4.170 0.005 0.000 0.301 458 I C 0.083 176.168 176.117 -0.054 0.000 0.984 458 I CA -0.849 60.412 61.300 -0.065 0.000 1.204 458 I CB 1.767 39.704 38.000 -0.104 0.000 1.362 458 I HN -0.004 nan 8.210 nan 0.000 0.471 459 E N 2.706 122.887 120.200 -0.031 0.000 2.437 459 E HA -0.069 4.284 4.350 0.005 0.000 0.263 459 E C 0.683 177.268 176.600 -0.026 0.000 1.030 459 E CA -0.179 56.207 56.400 -0.022 0.000 0.934 459 E CB 0.827 30.522 29.700 -0.009 0.000 0.943 459 E HN 0.419 nan 8.360 nan 0.000 0.444 460 L N 2.939 124.149 121.223 -0.021 0.000 2.046 460 L HA -0.190 4.153 4.340 0.005 0.000 0.208 460 L C 1.957 178.822 176.870 -0.009 0.000 1.077 460 L CA 2.152 56.980 54.840 -0.020 0.000 0.747 460 L CB -0.313 41.739 42.059 -0.012 0.000 0.896 460 L HN 0.587 nan 8.230 nan 0.000 0.432 461 S N -1.681 114.018 115.700 -0.001 0.000 2.650 461 S HA 0.075 4.548 4.470 0.005 0.000 0.219 461 S C 1.564 176.176 174.600 0.020 0.000 0.960 461 S CA -0.086 58.118 58.200 0.007 0.000 0.925 461 S CB -0.367 62.836 63.200 0.005 0.000 0.775 461 S HN 0.484 nan 8.310 nan 0.000 0.525 462 R N 0.013 120.528 120.500 0.025 0.000 2.476 462 R HA 0.349 4.692 4.340 0.005 0.000 0.276 462 R C 0.916 177.271 176.300 0.093 0.000 0.941 462 R CA -0.153 55.980 56.100 0.056 0.000 1.088 462 R CB 0.074 30.407 30.300 0.056 0.000 1.216 462 R HN 0.372 nan 8.270 nan 0.000 0.533 463 I N 0.409 121.009 120.570 0.051 0.000 2.361 463 I HA -0.109 4.064 4.170 0.005 0.000 0.251 463 I C 2.266 178.468 176.117 0.141 0.000 1.133 463 I CA 1.535 62.865 61.300 0.050 0.000 1.413 463 I CB -1.398 36.583 38.000 -0.033 0.000 1.073 463 I HN 0.158 nan 8.210 nan 0.000 0.424 464 G N 0.484 109.349 108.800 0.108 0.000 2.402 464 G HA2 -0.246 3.717 3.960 0.005 0.000 0.216 464 G HA3 -0.246 3.717 3.960 0.005 0.000 0.216 464 G C 1.619 176.607 174.900 0.147 0.000 1.162 464 G CA 0.523 45.691 45.100 0.113 0.000 0.777 464 G HN 0.458 nan 8.290 nan 0.000 0.539 465 E N -0.310 119.979 120.200 0.148 0.000 2.110 465 E HA -0.145 4.208 4.350 0.005 0.000 0.193 465 E C 2.057 178.792 176.600 0.225 0.000 0.988 465 E CA 0.583 57.075 56.400 0.153 0.000 0.804 465 E CB -0.242 29.534 29.700 0.126 0.000 0.745 465 E HN 0.392 nan 8.360 nan 0.000 0.458 466 F N 2.161 122.191 119.950 0.133 0.000 2.120 466 F HA -0.237 4.294 4.527 0.007 0.000 0.300 466 F C 2.158 178.083 175.800 0.209 0.000 1.095 466 F CA 2.193 60.320 58.000 0.211 0.000 1.249 466 F CB -0.242 38.841 39.000 0.137 0.000 0.995 466 F HN 0.083 nan 8.300 nan 0.000 0.480 467 E N 0.195 120.613 120.200 0.363 0.000 2.005 467 E HA -0.264 4.089 4.350 0.005 0.000 0.198 467 E C 2.273 178.938 176.600 0.108 0.000 1.010 467 E CA 2.313 58.876 56.400 0.273 0.000 0.825 467 E CB -0.404 29.431 29.700 0.225 0.000 0.769 467 E HN 0.471 nan 8.360 nan 0.000 0.456 468 S N -0.500 115.247 115.700 0.078 0.000 2.453 468 S HA -0.030 4.443 4.470 0.005 0.000 0.231 468 S C 2.084 176.676 174.600 -0.012 0.000 1.005 468 S CA 1.005 59.220 58.200 0.025 0.000 0.949 468 S CB 0.040 63.262 63.200 0.037 0.000 0.774 468 S HN 0.162 nan 8.310 nan 0.000 0.510 469 S N 1.253 116.957 115.700 0.007 0.000 2.387 469 S HA 0.125 4.598 4.470 0.005 0.000 0.226 469 S C 1.293 175.720 174.600 -0.288 0.000 1.026 469 S CA 0.784 58.995 58.200 0.019 0.000 0.972 469 S CB -0.550 62.795 63.200 0.242 0.000 0.814 469 S HN 0.580 nan 8.310 nan 0.000 0.477 470 F N 2.336 121.824 119.950 -0.769 0.000 2.293 470 F HA 0.115 4.645 4.527 0.006 0.000 0.300 470 F C 1.636 177.154 175.800 -0.469 0.000 1.086 470 F CA 0.648 57.983 58.000 -1.108 0.000 1.375 470 F CB -0.374 37.946 39.000 -1.133 0.000 1.045 470 F HN 0.094 nan 8.300 nan 0.000 0.516 471 L N -1.249 119.795 121.223 -0.299 0.000 2.044 471 L HA -0.187 4.156 4.340 0.005 0.000 0.205 471 L C 2.586 179.321 176.870 -0.225 0.000 1.075 471 L CA 1.251 55.937 54.840 -0.256 0.000 0.747 471 L CB -1.057 40.934 42.059 -0.113 0.000 0.903 471 L HN -0.037 nan 8.230 nan 0.000 0.435 472 S N -0.701 114.911 115.700 -0.147 0.000 2.372 472 S HA -0.299 4.174 4.470 0.005 0.000 0.227 472 S C 1.895 176.435 174.600 -0.099 0.000 1.044 472 S CA 1.942 60.090 58.200 -0.087 0.000 1.050 472 S CB -0.520 62.670 63.200 -0.017 0.000 0.901 472 S HN 0.425 nan 8.310 nan 0.000 0.447 473 Y N 1.650 121.789 120.300 -0.269 0.000 2.181 473 Y HA -0.066 4.487 4.550 0.005 0.000 0.288 473 Y C 1.885 177.642 175.900 -0.238 0.000 1.146 473 Y CA 1.328 59.285 58.100 -0.237 0.000 1.164 473 Y CB -0.405 37.849 38.460 -0.342 0.000 0.982 473 Y HN 0.159 nan 8.280 nan 0.000 0.515 474 L N -0.072 120.869 121.223 -0.471 0.000 2.217 474 L HA -0.142 4.201 4.340 0.005 0.000 0.211 474 L C 2.330 179.007 176.870 -0.323 0.000 1.107 474 L CA 1.176 55.732 54.840 -0.473 0.000 0.783 474 L CB -0.324 41.432 42.059 -0.505 0.000 0.919 474 L HN 0.107 nan 8.230 nan 0.000 0.442 475 K N -0.590 119.654 120.400 -0.259 0.000 2.167 475 K HA -0.034 4.289 4.320 0.005 0.000 0.203 475 K C 1.978 178.475 176.600 -0.172 0.000 1.052 475 K CA 1.506 57.683 56.287 -0.184 0.000 0.956 475 K CB 0.069 32.485 32.500 -0.139 0.000 0.735 475 K HN 0.331 nan 8.250 nan 0.000 0.451 476 S N -0.575 115.012 115.700 -0.188 0.000 2.539 476 S HA 0.163 4.636 4.470 0.005 0.000 0.221 476 S C 0.805 175.280 174.600 -0.208 0.000 0.987 476 S CA -0.188 57.917 58.200 -0.157 0.000 0.929 476 S CB 0.195 63.337 63.200 -0.098 0.000 0.832 476 S HN 0.144 nan 8.310 nan 0.000 0.492 477 N N 0.773 119.274 118.700 -0.331 0.000 3.166 477 N HA 0.197 4.940 4.740 0.005 0.000 0.242 477 N C 0.056 175.272 175.510 -0.490 0.000 1.017 477 N CA 0.032 52.824 53.050 -0.430 0.000 1.113 477 N CB -0.105 38.027 38.487 -0.592 0.000 1.629 477 N HN 0.263 nan 8.380 nan 0.000 0.601 478 H N 0.898 119.690 119.070 -0.464 0.000 2.672 478 H HA 0.220 4.779 4.556 0.006 0.000 0.262 478 H C 0.170 175.342 175.328 -0.260 0.000 1.577 478 H CA 0.046 55.900 56.048 -0.325 0.000 1.183 478 H CB -0.206 29.353 29.762 -0.338 0.000 1.546 478 H HN 0.292 nan 8.280 nan 0.000 0.502 479 N N 0.894 119.494 118.700 -0.166 0.000 2.453 479 N HA -0.109 4.634 4.740 0.005 0.000 0.183 479 N C 1.538 176.989 175.510 -0.098 0.000 1.041 479 N CA 0.641 53.610 53.050 -0.134 0.000 0.900 479 N CB 0.366 38.774 38.487 -0.132 0.000 0.961 479 N HN 0.451 nan 8.380 nan 0.000 0.443 480 E N -0.264 119.883 120.200 -0.089 0.000 2.208 480 E HA -0.093 4.260 4.350 0.005 0.000 0.193 480 E C 1.632 178.205 176.600 -0.045 0.000 0.988 480 E CA 0.685 57.047 56.400 -0.063 0.000 0.828 480 E CB 0.044 29.707 29.700 -0.062 0.000 0.763 480 E HN 0.516 nan 8.360 nan 0.000 0.478 481 L N 0.286 121.487 121.223 -0.037 0.000 2.072 481 L HA -0.097 4.246 4.340 0.005 0.000 0.205 481 L C 2.452 179.289 176.870 -0.056 0.000 1.079 481 L CA 0.780 55.594 54.840 -0.042 0.000 0.752 481 L CB -0.706 41.321 42.059 -0.053 0.000 0.906 481 L HN 0.087 nan 8.230 nan 0.000 0.436 482 L N 0.006 121.185 121.223 -0.073 0.000 2.079 482 L HA -0.162 4.181 4.340 0.005 0.000 0.210 482 L C 2.718 179.553 176.870 -0.058 0.000 1.081 482 L CA 1.531 56.327 54.840 -0.075 0.000 0.752 482 L CB -1.281 40.718 42.059 -0.099 0.000 0.896 482 L HN 0.313 nan 8.230 nan 0.000 0.433 483 T N -0.770 113.750 114.554 -0.057 0.000 2.746 483 T HA -0.183 4.170 4.350 0.005 0.000 0.267 483 T C 1.740 176.421 174.700 -0.032 0.000 1.039 483 T CA 1.360 63.432 62.100 -0.047 0.000 1.142 483 T CB -0.180 68.659 68.868 -0.048 0.000 0.866 483 T HN 0.406 nan 8.240 nan 0.000 0.444 484 E N 0.694 120.877 120.200 -0.030 0.000 2.051 484 E HA -0.086 4.267 4.350 0.005 0.000 0.192 484 E C 2.212 178.805 176.600 -0.011 0.000 0.991 484 E CA 1.093 57.481 56.400 -0.019 0.000 0.799 484 E CB -0.377 29.311 29.700 -0.020 0.000 0.748 484 E HN 0.499 nan 8.360 nan 0.000 0.449 485 I N 0.878 121.439 120.570 -0.014 0.000 2.163 485 I HA -0.306 3.867 4.170 0.005 0.000 0.243 485 I C 2.749 178.873 176.117 0.011 0.000 1.085 485 I CA 1.108 62.407 61.300 -0.002 0.000 1.347 485 I CB -0.393 37.603 38.000 -0.005 0.000 1.044 485 I HN 0.041 nan 8.210 nan 0.000 0.408 486 R N 1.220 121.722 120.500 0.004 0.000 2.096 486 R HA -0.223 4.121 4.340 0.005 0.000 0.240 486 R C 2.086 178.404 176.300 0.030 0.000 1.139 486 R CA 2.084 58.194 56.100 0.017 0.000 0.952 486 R CB -0.158 30.137 30.300 -0.009 0.000 0.854 486 R HN 0.484 nan 8.270 nan 0.000 0.436 487 E N -0.401 119.808 120.200 0.015 0.000 2.122 487 E HA -0.091 4.262 4.350 0.005 0.000 0.190 487 E C 2.091 178.704 176.600 0.022 0.000 0.977 487 E CA 0.707 57.118 56.400 0.018 0.000 0.820 487 E CB 0.149 29.853 29.700 0.006 0.000 0.770 487 E HN 0.277 nan 8.360 nan 0.000 0.462 488 K N -0.469 119.941 120.400 0.017 0.000 1.991 488 K HA -0.043 4.280 4.320 0.005 0.000 0.207 488 K C 1.263 177.877 176.600 0.024 0.000 1.045 488 K CA 1.101 57.399 56.287 0.018 0.000 0.937 488 K CB 0.058 32.566 32.500 0.012 0.000 0.720 488 K HN 0.268 nan 8.250 nan 0.000 0.438 489 G N 1.251 110.067 108.800 0.027 0.000 2.141 489 G HA2 -0.217 3.746 3.960 0.005 0.000 0.231 489 G HA3 -0.217 3.746 3.960 0.005 0.000 0.231 489 G C -0.170 174.745 174.900 0.026 0.000 0.984 489 G CA 0.438 45.556 45.100 0.030 0.000 0.660 489 G HN 0.406 nan 8.290 nan 0.000 0.525 490 E N -1.465 118.748 120.200 0.022 0.000 2.446 490 E HA 0.798 5.151 4.350 0.005 0.000 0.269 490 E C -0.750 175.862 176.600 0.019 0.000 0.977 490 E CA -1.055 55.358 56.400 0.022 0.000 0.854 490 E CB 1.628 31.339 29.700 0.019 0.000 1.545 490 E HN 0.126 nan 8.360 nan 0.000 0.448 491 L N 1.352 122.587 121.223 0.020 0.000 2.436 491 L HA 0.377 4.720 4.340 0.005 0.000 0.268 491 L C -0.371 176.508 176.870 0.015 0.000 0.974 491 L CA -0.784 54.065 54.840 0.015 0.000 0.826 491 L CB 2.040 44.112 42.059 0.021 0.000 1.291 491 L HN 0.572 nan 8.230 nan 0.000 0.406 492 S N 1.161 116.867 115.700 0.009 0.000 2.632 492 S HA 0.338 4.811 4.470 0.005 0.000 0.271 492 S C 0.792 175.400 174.600 0.012 0.000 1.260 492 S CA -0.772 57.434 58.200 0.010 0.000 1.010 492 S CB 1.798 65.002 63.200 0.007 0.000 0.965 492 S HN 0.652 nan 8.310 nan 0.000 0.534 493 K N 0.675 121.084 120.400 0.016 0.000 2.074 493 K HA -0.207 4.116 4.320 0.005 0.000 0.209 493 K C 2.036 178.645 176.600 0.016 0.000 1.048 493 K CA 1.877 58.176 56.287 0.020 0.000 0.926 493 K CB -0.280 32.232 32.500 0.020 0.000 0.713 493 K HN 0.776 nan 8.250 nan 0.000 0.444 494 E N 1.095 121.302 120.200 0.010 0.000 2.085 494 E HA -0.189 4.164 4.350 0.005 0.000 0.194 494 E C 1.747 178.345 176.600 -0.003 0.000 0.994 494 E CA 0.914 57.318 56.400 0.006 0.000 0.801 494 E CB -0.112 29.590 29.700 0.005 0.000 0.743 494 E HN 0.137 nan 8.360 nan 0.000 0.453 495 L N -0.053 121.165 121.223 -0.008 0.000 2.217 495 L HA 0.061 4.404 4.340 0.005 0.000 0.211 495 L C 1.992 178.832 176.870 -0.050 0.000 1.107 495 L CA 1.162 55.986 54.840 -0.026 0.000 0.783 495 L CB -0.535 41.511 42.059 -0.022 0.000 0.919 495 L HN 0.303 nan 8.230 nan 0.000 0.442 496 L N -0.074 121.133 121.223 -0.027 0.000 2.056 496 L HA -0.028 4.315 4.340 0.005 0.000 0.207 496 L C 2.422 179.266 176.870 -0.042 0.000 1.078 496 L CA 1.898 56.720 54.840 -0.030 0.000 0.749 496 L CB -0.758 41.327 42.059 0.043 0.000 0.901 496 L HN 0.260 nan 8.230 nan 0.000 0.433 497 A N -2.249 120.569 122.820 -0.004 0.000 2.119 497 A HA -0.115 4.208 4.320 0.005 0.000 0.217 497 A C 2.447 180.020 177.584 -0.019 0.000 1.153 497 A CA 1.431 53.475 52.037 0.011 0.000 0.692 497 A CB -0.619 18.397 19.000 0.026 0.000 0.799 497 A HN 0.469 nan 8.150 nan 0.000 0.458 498 S N -0.756 114.914 115.700 -0.049 0.000 2.377 498 S HA -0.061 4.412 4.470 0.005 0.000 0.223 498 S C 1.829 176.354 174.600 -0.125 0.000 1.030 498 S CA 1.213 59.380 58.200 -0.055 0.000 0.970 498 S CB -0.300 62.877 63.200 -0.038 0.000 0.830 498 S HN 0.493 nan 8.310 nan 0.000 0.473 499 L N 2.104 123.203 121.223 -0.207 0.000 2.141 499 L HA 0.148 4.491 4.340 0.005 0.000 0.209 499 L C 2.078 178.778 176.870 -0.282 0.000 1.094 499 L CA 1.810 56.464 54.840 -0.310 0.000 0.763 499 L CB -0.780 40.985 42.059 -0.490 0.000 0.908 499 L HN 0.187 nan 8.230 nan 0.000 0.437 500 K N -1.022 119.249 120.400 -0.215 0.000 2.034 500 K HA -0.247 4.076 4.320 0.005 0.000 0.214 500 K C 2.377 178.990 176.600 0.020 0.000 1.051 500 K CA 2.002 58.316 56.287 0.046 0.000 0.931 500 K CB -0.411 32.168 32.500 0.131 0.000 0.715 500 K HN 0.420 nan 8.250 nan 0.000 0.446 501 S N -0.497 115.198 115.700 -0.009 0.000 2.355 501 S HA -0.109 4.364 4.470 0.005 0.000 0.222 501 S C 1.950 176.540 174.600 -0.017 0.000 1.031 501 S CA 1.225 59.427 58.200 0.003 0.000 0.993 501 S CB -0.354 62.859 63.200 0.023 0.000 0.859 501 S HN 0.456 nan 8.310 nan 0.000 0.453 502 A N 0.629 123.389 122.820 -0.101 0.000 1.908 502 A HA -0.087 4.236 4.320 0.005 0.000 0.218 502 A C 2.369 180.021 177.584 0.113 0.000 1.181 502 A CA 2.390 54.348 52.037 -0.132 0.000 0.627 502 A CB -1.606 17.110 19.000 -0.472 0.000 0.818 502 A HN 0.603 nan 8.150 nan 0.000 0.445 503 T N 0.042 114.662 114.554 0.109 0.000 2.674 503 T HA -0.139 4.214 4.350 0.005 0.000 0.265 503 T C 1.761 176.469 174.700 0.013 0.000 1.039 503 T CA 1.679 63.871 62.100 0.154 0.000 1.150 503 T CB -0.343 68.498 68.868 -0.046 0.000 0.864 503 T HN 0.674 nan 8.240 nan 0.000 0.427 504 E N 0.990 121.122 120.200 -0.113 0.000 2.160 504 E HA -0.114 4.239 4.350 0.005 0.000 0.195 504 E C 2.408 179.005 176.600 -0.006 0.000 0.991 504 E CA 1.083 57.435 56.400 -0.079 0.000 0.810 504 E CB -0.177 29.494 29.700 -0.048 0.000 0.742 504 E HN 0.342 nan 8.360 nan 0.000 0.466 505 S N 0.083 115.789 115.700 0.011 0.000 2.382 505 S HA -0.177 4.296 4.470 0.005 0.000 0.228 505 S C 1.708 176.277 174.600 -0.052 0.000 1.027 505 S CA 0.871 59.069 58.200 -0.003 0.000 0.991 505 S CB -0.238 62.983 63.200 0.035 0.000 0.823 505 S HN 0.355 nan 8.310 nan 0.000 0.469 506 F N 2.152 121.963 119.950 -0.232 0.000 2.146 506 F HA -0.002 4.528 4.527 0.005 0.000 0.298 506 F C 2.085 177.813 175.800 -0.120 0.000 1.096 506 F CA 1.335 59.161 58.000 -0.289 0.000 1.275 506 F CB -0.692 38.123 39.000 -0.308 0.000 1.008 506 F HN 0.050 nan 8.300 nan 0.000 0.480 507 V N 0.820 120.689 119.914 -0.074 0.000 2.282 507 V HA -0.369 3.754 4.120 0.005 0.000 0.249 507 V C 2.659 178.653 176.094 -0.168 0.000 1.057 507 V CA 2.080 64.337 62.300 -0.072 0.000 1.032 507 V CB -1.713 30.142 31.823 0.053 0.000 0.645 507 V HN 0.477 nan 8.190 nan 0.000 0.447 508 A N -1.534 121.208 122.820 -0.131 0.000 2.239 508 A HA 0.079 4.402 4.320 0.005 0.000 0.209 508 A C 1.303 178.797 177.584 -0.150 0.000 1.171 508 A CA 1.491 53.462 52.037 -0.109 0.000 0.768 508 A CB -0.294 18.668 19.000 -0.063 0.000 0.790 508 A HN 0.564 nan 8.150 nan 0.000 0.478 509 T N 0.000 114.401 114.554 -0.256 0.000 3.816 509 T HA 0.000 4.353 4.350 0.005 0.000 0.228 509 T CA 0.000 61.938 62.100 -0.270 0.000 1.349 509 T CB 0.000 68.751 68.868 -0.195 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658