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 3aes_1_D DATA FIRST_RESID 2 DATA SEQUENCE KLTLWTYEGP PHVGAXRVAT AXKDLQLVLH GPQGDTYADL LFTXIERRNA DATA SEQUENCE RPPVSFSTFE ASHXGTDTAI LLKDALAAAH ARYKPQAXAV ALTCTAELLQ DATA SEQUENCE DDPNGISRAL NLPVPVVPLE LPSYSRKENY GADETFRALV RALAVPXERT DATA SEQUENCE PEVTCNLLGA TALGFRHRDD VAEVTKLLAT XGIKVNVCAP LGASPDDLRK DATA SEQUENCE LGQAHFNVLX YPETGESAAR HLERACKQPF TKIVPIGVGA TRDFLAEVSK DATA SEQUENCE ITGLPVVTDE STLRQPWWSA SVDSTYLTGK RVFIFGDGTH VIAAARIAAK DATA SEQUENCE EVGFEVVGXG CYNREXARPL RTAAAEYGLE ALITDDYLEV EKAIEAAAPE DATA SEQUENCE LILGTQXERN IAKKLGLPCA VISAPVHVQD FPARYAPQXG FEGANVLFDT DATA SEQUENCE WVHPLVXGLE EHLLTXFRED 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.626 176.600 0.043 0.000 0.988 2 K CA 0.000 56.313 56.287 0.044 0.000 0.838 2 K CB 0.000 32.531 32.500 0.052 0.000 1.064 3 L N 3.076 124.322 121.223 0.038 0.000 2.477 3 L HA 0.233 4.573 4.340 0.000 0.000 0.272 3 L C -0.887 176.018 176.870 0.057 0.000 1.157 3 L CA 1.293 56.157 54.840 0.039 0.000 0.889 3 L CB 0.241 42.318 42.059 0.031 0.000 1.158 3 L HN 0.655 nan 8.230 nan 0.000 0.473 4 T N 6.805 121.393 114.554 0.057 0.000 2.841 4 T HA 0.316 4.666 4.350 0.000 0.000 0.285 4 T C 0.488 175.235 174.700 0.078 0.000 0.991 4 T CA -0.409 61.736 62.100 0.076 0.000 0.966 4 T CB 2.342 71.233 68.868 0.038 0.000 0.962 4 T HN 0.607 nan 8.240 nan 0.000 0.438 5 L N 2.400 123.714 121.223 0.152 0.000 2.416 5 L HA 0.572 4.912 4.340 0.000 0.000 0.188 5 L C 0.189 177.093 176.870 0.057 0.000 1.145 5 L CA 0.280 55.185 54.840 0.108 0.000 0.826 5 L CB 0.014 42.168 42.059 0.158 0.000 1.064 5 L HN 0.692 nan 8.230 nan 0.000 0.490 6 W N 1.339 122.550 121.300 -0.148 0.000 2.376 6 W HA 0.447 5.107 4.660 0.000 0.000 0.322 6 W C -1.002 175.413 176.519 -0.173 0.000 1.160 6 W CA -0.332 56.833 57.345 -0.301 0.000 1.218 6 W CB 1.174 30.242 29.460 -0.654 0.000 1.205 6 W HN 0.126 nan 8.180 nan 0.000 0.559 7 T N 5.117 119.057 114.554 -1.023 0.000 2.841 7 T HA 0.258 4.608 4.350 0.000 0.000 0.285 7 T C 0.285 174.301 174.700 -1.140 0.000 0.991 7 T CA -0.332 61.325 62.100 -0.739 0.000 0.966 7 T CB 0.700 69.322 68.868 -0.411 0.000 0.962 7 T HN 0.393 nan 8.240 nan 0.000 0.438 8 Y N 2.640 122.600 120.300 -0.566 0.000 2.293 8 Y HA 0.157 4.707 4.550 0.000 0.000 0.291 8 Y C 1.435 176.990 175.900 -0.575 0.000 1.137 8 Y CA 0.675 58.427 58.100 -0.581 0.000 1.202 8 Y CB 0.395 38.376 38.460 -0.798 0.000 0.990 8 Y HN 0.585 nan 8.280 nan 0.000 0.537 9 E N -1.245 118.813 120.200 -0.237 0.000 2.277 9 E HA 0.459 4.809 4.350 0.000 0.000 0.266 9 E C -0.029 176.477 176.600 -0.156 0.000 0.901 9 E CA -0.634 55.683 56.400 -0.138 0.000 0.782 9 E CB 1.804 31.514 29.700 0.016 0.000 1.228 9 E HN 0.152 nan 8.360 nan 0.000 0.424 10 G N 1.154 109.876 108.800 -0.130 0.000 2.510 10 G HA2 0.411 4.371 3.960 0.000 0.000 0.280 10 G HA3 0.411 4.371 3.960 0.000 0.000 0.280 10 G C -2.371 172.465 174.900 -0.106 0.000 1.386 10 G CA -1.012 44.012 45.100 -0.127 0.000 1.047 10 G HN 0.301 nan 8.290 nan 0.000 0.527 11 P HA 0.248 nan 4.420 nan 0.000 0.276 11 P C -2.193 175.011 177.300 -0.160 0.000 1.244 11 P CA -1.444 61.557 63.100 -0.165 0.000 0.801 11 P CB 1.535 33.101 31.700 -0.223 0.000 1.006 12 P HA -0.212 nan 4.420 nan 0.000 0.216 12 P C 1.549 178.873 177.300 0.040 0.000 1.150 12 P CA 1.751 64.889 63.100 0.063 0.000 0.843 12 P CB -0.726 31.071 31.700 0.162 0.000 0.787 13 H N -1.615 117.492 119.070 0.061 0.000 2.521 13 H HA 0.026 4.582 4.556 0.000 0.000 0.286 13 H C 1.451 176.805 175.328 0.043 0.000 1.034 13 H CA 0.660 56.734 56.048 0.043 0.000 1.278 13 H CB -0.919 28.870 29.762 0.045 0.000 1.386 13 H HN -0.020 nan 8.280 nan 0.000 0.567 14 V N 1.509 121.294 119.914 -0.216 0.000 2.453 14 V HA -0.109 4.011 4.120 0.000 0.000 0.247 14 V C 2.981 179.112 176.094 0.060 0.000 1.048 14 V CA 1.468 63.741 62.300 -0.044 0.000 1.049 14 V CB -0.753 30.991 31.823 -0.131 0.000 0.672 14 V HN 0.672 nan 8.190 nan 0.000 0.457 15 G N 0.035 108.848 108.800 0.022 0.000 2.446 15 G HA2 -0.135 3.825 3.960 0.000 0.000 0.217 15 G HA3 -0.135 3.825 3.960 0.000 0.000 0.217 15 G C 0.998 175.927 174.900 0.048 0.000 1.168 15 G CA 0.802 45.930 45.100 0.045 0.000 0.771 15 G HN 0.659 nan 8.290 nan 0.000 0.551 19 V N 0.887 120.797 119.914 -0.006 0.000 2.407 19 V HA 0.005 4.125 4.120 0.000 0.000 0.245 19 V C 2.298 178.357 176.094 -0.057 0.000 1.041 19 V CA 2.130 64.409 62.300 -0.036 0.000 1.040 19 V CB -0.221 31.602 31.823 -0.001 0.000 0.671 19 V HN 0.435 nan 8.190 nan 0.000 0.455 20 A N 0.265 123.032 122.820 -0.089 0.000 1.877 20 A HA -0.222 4.098 4.320 0.000 0.000 0.216 20 A C 2.365 179.851 177.584 -0.163 0.000 1.186 20 A CA 2.580 54.543 52.037 -0.125 0.000 0.620 20 A CB -1.016 17.885 19.000 -0.164 0.000 0.822 20 A HN 0.491 nan 8.150 nan 0.000 0.443 21 T N 0.302 114.712 114.554 -0.239 0.000 2.951 21 T HA 0.295 4.645 4.350 0.000 0.000 0.268 21 T C 1.224 175.861 174.700 -0.105 0.000 1.073 21 T CA 0.646 62.589 62.100 -0.262 0.000 1.134 21 T CB -0.465 68.071 68.868 -0.553 0.000 0.884 21 T HN 0.642 nan 8.240 nan 0.000 0.479 25 D N 0.258 120.644 120.400 -0.024 0.000 2.945 25 D HA -0.193 4.448 4.640 0.000 0.000 0.225 25 D C -0.704 175.591 176.300 -0.009 0.000 1.158 25 D CA 1.287 55.281 54.000 -0.009 0.000 0.805 25 D CB -0.748 40.055 40.800 0.006 0.000 1.098 25 D HN 0.489 nan 8.370 nan 0.000 0.426 26 L N 0.449 121.652 121.223 -0.034 0.000 2.381 26 L HA 0.285 4.625 4.340 0.000 0.000 0.274 26 L C -0.633 176.193 176.870 -0.073 0.000 0.988 26 L CA -0.540 54.280 54.840 -0.034 0.000 0.824 26 L CB 1.703 43.745 42.059 -0.028 0.000 1.263 26 L HN -0.235 nan 8.230 nan 0.000 0.410 27 Q N 4.157 123.924 119.800 -0.055 0.000 2.256 27 Q HA 0.428 4.768 4.340 0.000 0.000 0.257 27 Q C -1.212 174.736 176.000 -0.087 0.000 0.936 27 Q CA -0.611 55.138 55.803 -0.089 0.000 0.903 27 Q CB 2.512 31.226 28.738 -0.039 0.000 1.263 27 Q HN 0.576 nan 8.270 nan 0.000 0.440 28 L N 2.829 123.971 121.223 -0.134 0.000 2.305 28 L HA 0.466 4.806 4.340 0.000 0.000 0.284 28 L C -1.284 175.476 176.870 -0.183 0.000 1.013 28 L CA -0.578 54.176 54.840 -0.143 0.000 0.819 28 L CB 1.688 43.649 42.059 -0.163 0.000 1.227 28 L HN 0.302 nan 8.230 nan 0.000 0.417 29 V N 6.732 126.554 119.914 -0.153 0.000 2.417 29 V HA 0.481 4.601 4.120 0.000 0.000 0.291 29 V C -0.158 175.813 176.094 -0.204 0.000 1.024 29 V CA -0.458 61.741 62.300 -0.168 0.000 0.861 29 V CB 1.563 33.338 31.823 -0.080 0.000 0.985 29 V HN 0.628 nan 8.190 nan 0.000 0.436 30 L N 4.390 125.404 121.223 -0.349 0.000 2.333 30 L HA 0.507 4.847 4.340 0.000 0.000 0.280 30 L C 0.044 176.859 176.870 -0.092 0.000 1.004 30 L CA -0.558 54.084 54.840 -0.330 0.000 0.820 30 L CB 1.626 43.255 42.059 -0.717 0.000 1.247 30 L HN 0.635 nan 8.230 nan 0.000 0.416 31 H N 2.663 121.707 119.070 -0.044 0.000 2.944 31 H HA 0.466 5.022 4.556 0.000 0.000 0.278 31 H C -0.199 175.221 175.328 0.154 0.000 1.083 31 H CA -0.070 56.052 56.048 0.123 0.000 1.479 31 H CB 0.809 30.677 29.762 0.176 0.000 1.486 31 H HN 0.788 nan 8.280 nan 0.000 0.493 32 G N 5.331 114.118 108.800 -0.022 0.000 2.601 32 G HA2 0.179 4.139 3.960 0.000 0.000 0.291 32 G HA3 0.179 4.139 3.960 0.000 0.000 0.291 32 G C -3.330 170.938 174.900 -1.054 0.000 1.456 32 G CA -1.084 43.818 45.100 -0.332 0.000 0.804 32 G HN 0.331 nan 8.290 nan 0.000 0.499 33 P HA 0.208 nan 4.420 nan 0.000 0.276 33 P C -0.360 176.656 177.300 -0.473 0.000 1.252 33 P CA -0.427 62.121 63.100 -0.920 0.000 0.802 33 P CB 1.011 32.450 31.700 -0.434 0.000 1.035 34 Q N 0.279 119.888 119.800 -0.318 0.000 2.304 34 Q HA 0.158 4.498 4.340 0.000 0.000 0.315 34 Q C 0.831 176.711 176.000 -0.201 0.000 1.075 34 Q CA 1.532 57.210 55.803 -0.209 0.000 0.988 34 Q CB -0.667 28.007 28.738 -0.106 0.000 1.146 34 Q HN 0.871 nan 8.270 nan 0.000 0.383 35 G N 3.884 112.553 108.800 -0.219 0.000 2.278 35 G HA2 -0.189 3.771 3.960 0.000 0.000 0.210 35 G HA3 -0.189 3.771 3.960 0.000 0.000 0.210 35 G C 0.326 175.155 174.900 -0.118 0.000 1.000 35 G CA 0.143 45.158 45.100 -0.141 0.000 0.635 35 G HN 0.705 nan 8.290 nan 0.000 0.495 36 D N 1.340 121.545 120.400 -0.324 0.000 2.349 36 D HA 0.108 4.748 4.640 0.000 0.000 0.224 36 D C 2.534 178.420 176.300 -0.690 0.000 1.029 36 D CA 1.404 55.210 54.000 -0.325 0.000 0.879 36 D CB -0.184 40.397 40.800 -0.364 0.000 0.906 36 D HN 0.615 nan 8.370 nan 0.000 0.528 37 T N -1.845 112.292 114.554 -0.695 0.000 3.113 37 T HA -0.175 4.175 4.350 0.000 0.000 0.263 37 T C 2.038 176.609 174.700 -0.216 0.000 1.143 37 T CA 0.322 62.142 62.100 -0.467 0.000 1.090 37 T CB -0.758 67.938 68.868 -0.287 0.000 0.922 37 T HN 0.367 nan 8.240 nan 0.000 0.521 38 Y N 2.037 122.253 120.300 -0.141 0.000 2.228 38 Y HA -0.004 4.546 4.550 0.000 0.000 0.285 38 Y C 2.484 178.377 175.900 -0.012 0.000 1.178 38 Y CA 0.455 58.513 58.100 -0.069 0.000 1.202 38 Y CB -1.139 37.275 38.460 -0.076 0.000 0.974 38 Y HN 0.255 nan 8.280 nan 0.000 0.527 39 A N 0.757 122.954 122.820 -1.038 0.000 2.070 39 A HA -0.166 4.154 4.320 0.000 0.000 0.220 39 A C 1.733 179.289 177.584 -0.047 0.000 1.159 39 A CA 1.542 53.211 52.037 -0.614 0.000 0.656 39 A CB -0.766 17.918 19.000 -0.528 0.000 0.800 39 A HN 0.583 nan 8.150 nan 0.000 0.453 40 D N -0.041 120.359 120.400 -0.000 0.000 2.221 40 D HA -0.176 4.464 4.640 0.000 0.000 0.204 40 D C 1.814 178.181 176.300 0.112 0.000 0.982 40 D CA 1.159 55.230 54.000 0.118 0.000 0.857 40 D CB -0.375 40.453 40.800 0.046 0.000 0.934 40 D HN 0.581 nan 8.370 nan 0.000 0.475 41 L N -0.033 121.209 121.223 0.033 0.000 2.131 41 L HA -0.174 4.166 4.340 0.000 0.000 0.210 41 L C 1.733 178.572 176.870 -0.051 0.000 1.092 41 L CA 0.841 55.684 54.840 0.006 0.000 0.759 41 L CB -0.028 42.044 42.059 0.021 0.000 0.903 41 L HN -0.056 nan 8.230 nan 0.000 0.435 42 L N -0.323 120.833 121.223 -0.112 0.000 2.056 42 L HA -0.137 4.203 4.340 0.000 0.000 0.207 42 L C 2.231 178.840 176.870 -0.434 0.000 1.078 42 L CA 1.985 56.632 54.840 -0.322 0.000 0.749 42 L CB -1.095 40.674 42.059 -0.483 0.000 0.901 42 L HN 0.198 nan 8.230 nan 0.000 0.433 43 F N -1.406 118.453 119.950 -0.153 0.000 2.367 43 F HA -0.001 4.526 4.527 0.000 0.000 0.298 43 F C 1.613 177.331 175.800 -0.138 0.000 1.094 43 F CA 0.300 58.205 58.000 -0.158 0.000 1.409 43 F CB -0.835 38.092 39.000 -0.121 0.000 1.064 43 F HN -0.096 nan 8.300 nan 0.000 0.528 47 E N 2.174 122.066 120.200 -0.513 0.000 2.516 47 E HA -0.057 4.294 4.350 0.000 0.000 0.199 47 E C 0.245 176.777 176.600 -0.114 0.000 1.069 47 E CA 0.207 56.391 56.400 -0.360 0.000 0.876 47 E CB 0.155 29.687 29.700 -0.281 0.000 0.843 47 E HN 0.167 nan 8.360 nan 0.000 0.530 48 R N 1.002 121.440 120.500 -0.103 0.000 3.641 48 R HA -0.191 4.149 4.340 0.000 0.000 0.286 48 R C -0.796 175.496 176.300 -0.013 0.000 1.153 48 R CA 0.411 56.487 56.100 -0.041 0.000 0.775 48 R CB -1.829 28.463 30.300 -0.014 0.000 1.215 48 R HN 0.088 nan 8.270 nan 0.000 0.474 49 R N 0.384 120.878 120.500 -0.010 0.000 2.594 49 R HA 0.076 4.416 4.340 0.000 0.000 0.272 49 R C 1.093 177.395 176.300 0.004 0.000 1.074 49 R CA 0.379 56.484 56.100 0.008 0.000 1.105 49 R CB 0.290 30.604 30.300 0.024 0.000 1.008 49 R HN 0.405 nan 8.270 nan 0.000 0.472 50 N N 0.500 119.203 118.700 0.004 0.000 2.251 50 N HA 0.129 4.869 4.740 0.000 0.000 0.217 50 N C -0.972 174.537 175.510 -0.001 0.000 1.124 50 N CA -0.269 52.783 53.050 0.003 0.000 0.843 50 N CB 1.030 39.520 38.487 0.006 0.000 1.024 50 N HN 0.469 nan 8.380 nan 0.000 0.501 51 A N 0.105 122.920 122.820 -0.008 0.000 2.556 51 A HA 0.631 4.951 4.320 0.000 0.000 0.294 51 A C -0.515 177.050 177.584 -0.032 0.000 1.091 51 A CA -0.949 51.077 52.037 -0.019 0.000 0.704 51 A CB 1.461 20.444 19.000 -0.030 0.000 1.300 51 A HN 0.170 nan 8.150 nan 0.000 0.406 52 R N 0.907 121.384 120.500 -0.038 0.000 2.537 52 R HA 0.302 4.642 4.340 0.000 0.000 0.280 52 R C -2.366 173.867 176.300 -0.112 0.000 1.058 52 R CA -1.048 55.020 56.100 -0.053 0.000 1.057 52 R CB -0.326 29.951 30.300 -0.040 0.000 0.973 52 R HN 0.411 nan 8.270 nan 0.000 0.438 53 P HA -0.008 nan 4.420 nan 0.000 0.266 53 P C -2.133 175.015 177.300 -0.252 0.000 1.193 53 P CA -0.863 62.096 63.100 -0.236 0.000 0.770 53 P CB 0.142 31.639 31.700 -0.339 0.000 0.836 54 P HA 0.048 nan 4.420 nan 0.000 0.232 54 P C -0.879 176.255 177.300 -0.277 0.000 1.738 54 P CA 0.483 63.391 63.100 -0.319 0.000 0.948 54 P CB -0.051 31.483 31.700 -0.277 0.000 1.943 55 V N 0.764 120.531 119.914 -0.246 0.000 2.623 55 V HA 0.407 4.527 4.120 0.000 0.000 0.304 55 V C 0.015 176.014 176.094 -0.158 0.000 1.054 55 V CA -0.434 61.724 62.300 -0.238 0.000 0.882 55 V CB 2.277 33.944 31.823 -0.261 0.000 1.002 55 V HN 0.341 nan 8.190 nan 0.000 0.424 56 S N 3.687 119.265 115.700 -0.202 0.000 2.570 56 S HA 0.894 5.364 4.470 0.000 0.000 0.286 56 S C -1.211 173.260 174.600 -0.216 0.000 1.099 56 S CA -0.707 57.456 58.200 -0.063 0.000 0.913 56 S CB 2.076 65.284 63.200 0.013 0.000 1.085 56 S HN 0.291 nan 8.310 nan 0.000 0.480 57 F N 1.121 121.046 119.950 -0.041 0.000 2.522 57 F HA 0.494 5.021 4.527 0.000 0.000 0.324 57 F C 1.807 177.597 175.800 -0.017 0.000 1.077 57 F CA -0.817 57.151 58.000 -0.053 0.000 0.944 57 F CB 2.163 41.095 39.000 -0.114 0.000 1.175 57 F HN 0.799 nan 8.300 nan 0.000 0.468 58 S N -0.723 115.098 115.700 0.201 0.000 2.447 58 S HA -0.109 4.361 4.470 0.000 0.000 0.233 58 S C 0.642 175.327 174.600 0.140 0.000 1.006 58 S CA 0.916 59.244 58.200 0.215 0.000 0.957 58 S CB -0.972 62.497 63.200 0.449 0.000 0.773 58 S HN 0.844 nan 8.310 nan 0.000 0.507 59 T N 1.919 116.480 114.554 0.011 0.000 4.056 59 T HA -0.170 4.180 4.350 0.000 0.000 0.356 59 T C -0.123 174.552 174.700 -0.041 0.000 0.757 59 T CA 0.829 62.880 62.100 -0.083 0.000 1.949 59 T CB -2.976 65.892 68.868 0.000 0.000 1.834 59 T HN 0.721 nan 8.240 nan 0.000 0.846 60 F N 0.278 120.260 119.950 0.054 0.000 2.418 60 F HA 0.735 5.262 4.527 0.000 0.000 0.341 60 F C 0.579 176.404 175.800 0.042 0.000 1.120 60 F CA -0.902 57.129 58.000 0.052 0.000 1.232 60 F CB 0.797 39.815 39.000 0.031 0.000 1.175 60 F HN 0.309 nan 8.300 nan 0.000 0.569 61 E N 2.752 123.143 120.200 0.317 0.000 2.459 61 E HA 0.510 4.860 4.350 0.000 0.000 0.275 61 E C 0.126 176.833 176.600 0.179 0.000 0.987 61 E CA -0.488 56.039 56.400 0.212 0.000 0.828 61 E CB 1.250 31.022 29.700 0.120 0.000 1.428 61 E HN 0.717 nan 8.360 nan 0.000 0.457 62 A N 1.027 123.909 122.820 0.103 0.000 1.948 62 A HA -0.223 4.097 4.320 0.000 0.000 0.220 62 A C 2.138 179.720 177.584 -0.003 0.000 1.177 62 A CA 3.205 55.272 52.037 0.050 0.000 0.636 62 A CB -1.098 17.918 19.000 0.027 0.000 0.815 62 A HN 0.741 nan 8.150 nan 0.000 0.449 63 S N -1.390 114.281 115.700 -0.048 0.000 2.453 63 S HA 0.010 4.480 4.470 0.000 0.000 0.231 63 S C 0.726 175.071 174.600 -0.426 0.000 1.005 63 S CA 0.757 58.818 58.200 -0.231 0.000 0.949 63 S CB -0.379 62.647 63.200 -0.289 0.000 0.774 63 S HN 0.709 nan 8.310 nan 0.000 0.510 67 T N -1.152 113.407 114.554 0.007 0.000 3.160 67 T HA 0.142 4.492 4.350 0.000 0.000 0.257 67 T C 1.005 175.722 174.700 0.029 0.000 1.147 67 T CA 1.674 63.782 62.100 0.013 0.000 1.064 67 T CB 0.133 69.008 68.868 0.012 0.000 0.949 67 T HN 0.157 nan 8.240 nan 0.000 0.526 68 D N 2.216 122.644 120.400 0.046 0.000 2.234 68 D HA -0.039 4.601 4.640 0.000 0.000 0.205 68 D C 2.489 178.843 176.300 0.090 0.000 0.962 68 D CA 1.559 55.603 54.000 0.075 0.000 0.855 68 D CB -0.210 40.664 40.800 0.124 0.000 0.951 68 D HN 0.693 nan 8.370 nan 0.000 0.500 69 T N -1.394 113.203 114.554 0.071 0.000 2.867 69 T HA -0.028 4.322 4.350 0.000 0.000 0.268 69 T C 2.058 176.879 174.700 0.201 0.000 1.057 69 T CA 1.249 63.430 62.100 0.135 0.000 1.136 69 T CB -0.152 68.661 68.868 -0.092 0.000 0.874 69 T HN 0.028 nan 8.240 nan 0.000 0.466 70 A N 2.071 124.932 122.820 0.069 0.000 1.898 70 A HA 0.127 4.447 4.320 0.000 0.000 0.216 70 A C 2.403 179.983 177.584 -0.006 0.000 1.181 70 A CA 1.209 53.239 52.037 -0.010 0.000 0.620 70 A CB -0.650 18.341 19.000 -0.014 0.000 0.819 70 A HN 0.469 nan 8.150 nan 0.000 0.442 71 I N 0.167 120.752 120.570 0.025 0.000 2.151 71 I HA -0.263 3.907 4.170 0.000 0.000 0.243 71 I C 2.484 178.624 176.117 0.038 0.000 1.080 71 I CA 1.370 62.684 61.300 0.024 0.000 1.339 71 I CB -1.512 36.505 38.000 0.028 0.000 1.039 71 I HN 0.291 nan 8.210 nan 0.000 0.409 72 L N -0.269 121.006 121.223 0.087 0.000 2.083 72 L HA -0.227 4.113 4.340 0.000 0.000 0.209 72 L C 2.581 179.517 176.870 0.110 0.000 1.083 72 L CA 0.839 55.755 54.840 0.125 0.000 0.752 72 L CB -0.543 41.653 42.059 0.227 0.000 0.899 72 L HN 0.234 nan 8.230 nan 0.000 0.433 73 L N 0.068 121.323 121.223 0.053 0.000 2.056 73 L HA -0.204 4.136 4.340 0.000 0.000 0.207 73 L C 2.532 179.376 176.870 -0.045 0.000 1.078 73 L CA 1.758 56.559 54.840 -0.065 0.000 0.749 73 L CB -0.626 41.187 42.059 -0.411 0.000 0.901 73 L HN 0.119 nan 8.230 nan 0.000 0.433 74 K N -0.631 119.745 120.400 -0.040 0.000 2.032 74 K HA -0.206 4.114 4.320 0.000 0.000 0.209 74 K C 1.687 178.286 176.600 -0.002 0.000 1.048 74 K CA 1.864 58.136 56.287 -0.025 0.000 0.927 74 K CB -0.175 32.312 32.500 -0.022 0.000 0.712 74 K HN 0.383 nan 8.250 nan 0.000 0.441 75 D N 0.179 120.586 120.400 0.012 0.000 2.144 75 D HA -0.137 4.503 4.640 0.000 0.000 0.199 75 D C 1.681 177.998 176.300 0.029 0.000 0.984 75 D CA 1.287 55.299 54.000 0.020 0.000 0.834 75 D CB -0.093 40.721 40.800 0.022 0.000 0.955 75 D HN 0.350 nan 8.370 nan 0.000 0.465 76 A N 0.255 123.096 122.820 0.035 0.000 1.970 76 A HA -0.005 4.315 4.320 0.000 0.000 0.216 76 A C 2.337 179.943 177.584 0.036 0.000 1.170 76 A CA 0.470 52.533 52.037 0.043 0.000 0.645 76 A CB -0.505 18.527 19.000 0.053 0.000 0.816 76 A HN 0.154 nan 8.150 nan 0.000 0.447 77 L N -0.697 120.538 121.223 0.020 0.000 2.027 77 L HA -0.149 4.191 4.340 0.000 0.000 0.206 77 L C 3.105 180.007 176.870 0.052 0.000 1.074 77 L CA 1.096 55.949 54.840 0.021 0.000 0.745 77 L CB -0.530 41.524 42.059 -0.008 0.000 0.898 77 L HN 0.403 nan 8.230 nan 0.000 0.433 78 A N 0.017 122.860 122.820 0.040 0.000 1.877 78 A HA -0.197 4.123 4.320 0.000 0.000 0.216 78 A C 2.497 180.127 177.584 0.076 0.000 1.186 78 A CA 1.908 53.980 52.037 0.057 0.000 0.620 78 A CB -0.807 18.211 19.000 0.030 0.000 0.822 78 A HN 0.407 nan 8.150 nan 0.000 0.443 79 A N -0.382 122.470 122.820 0.053 0.000 1.930 79 A HA 0.229 4.549 4.320 0.000 0.000 0.217 79 A C 2.475 180.091 177.584 0.055 0.000 1.175 79 A CA 1.916 53.976 52.037 0.039 0.000 0.627 79 A CB -0.913 18.107 19.000 0.034 0.000 0.815 79 A HN 1.038 nan 8.150 nan 0.000 0.443 80 A N -1.383 121.498 122.820 0.102 0.000 1.930 80 A HA -0.179 4.141 4.320 0.000 0.000 0.217 80 A C 2.119 179.805 177.584 0.170 0.000 1.175 80 A CA 1.610 53.752 52.037 0.176 0.000 0.627 80 A CB -0.882 18.200 19.000 0.136 0.000 0.815 80 A HN 0.753 nan 8.150 nan 0.000 0.443 81 H N -0.084 119.018 119.070 0.053 0.000 2.357 81 H HA -0.007 4.549 4.556 0.000 0.000 0.301 81 H C 2.207 177.542 175.328 0.010 0.000 1.082 81 H CA 1.511 57.580 56.048 0.035 0.000 1.342 81 H CB -0.058 29.712 29.762 0.014 0.000 1.389 81 H HN 0.409 nan 8.280 nan 0.000 0.511 82 A N 0.971 123.761 122.820 -0.050 0.000 1.969 82 A HA -0.111 4.210 4.320 0.000 0.000 0.218 82 A C 2.544 180.011 177.584 -0.195 0.000 1.169 82 A CA 1.245 53.213 52.037 -0.115 0.000 0.635 82 A CB -0.439 18.546 19.000 -0.025 0.000 0.810 82 A HN 0.403 nan 8.150 nan 0.000 0.445 83 R N -2.342 118.018 120.500 -0.235 0.000 2.090 83 R HA 0.038 4.378 4.340 0.000 0.000 0.219 83 R C 0.994 176.947 176.300 -0.577 0.000 1.100 83 R CA 1.067 56.893 56.100 -0.457 0.000 0.991 83 R CB -0.046 29.861 30.300 -0.656 0.000 0.893 83 R HN 0.595 nan 8.270 nan 0.000 0.443 84 Y N 0.692 120.931 120.300 -0.101 0.000 2.467 84 Y HA 0.268 4.818 4.550 0.000 0.000 0.250 84 Y C -0.094 175.734 175.900 -0.120 0.000 1.155 84 Y CA -0.588 57.458 58.100 -0.090 0.000 1.249 84 Y CB 0.772 39.195 38.460 -0.062 0.000 1.146 84 Y HN -0.208 nan 8.280 nan 0.000 0.524 85 K N 0.870 121.194 120.400 -0.128 0.000 3.540 85 K HA -0.182 4.138 4.320 0.000 0.000 0.274 85 K C -2.756 173.812 176.600 -0.054 0.000 0.890 85 K CA 0.315 56.475 56.287 -0.212 0.000 0.701 85 K CB -1.611 30.797 32.500 -0.153 0.000 1.523 85 K HN 0.353 nan 8.250 nan 0.000 0.450 86 P HA 0.054 nan 4.420 nan 0.000 0.274 86 P C 0.657 177.996 177.300 0.065 0.000 1.246 86 P CA -0.160 62.970 63.100 0.051 0.000 0.795 86 P CB 0.648 32.387 31.700 0.066 0.000 1.006 87 Q N -0.189 119.638 119.800 0.046 0.000 2.245 87 Q HA 0.156 4.496 4.340 0.000 0.000 0.201 87 Q C 0.659 176.688 176.000 0.047 0.000 0.955 87 Q CA 1.069 56.899 55.803 0.045 0.000 0.870 87 Q CB 0.092 28.848 28.738 0.029 0.000 0.945 87 Q HN 0.643 nan 8.270 nan 0.000 0.461 91 V N 0.498 120.388 119.914 -0.039 0.000 2.760 91 V HA 0.970 5.090 4.120 0.000 0.000 0.309 91 V C -0.217 175.863 176.094 -0.022 0.000 1.077 91 V CA 0.506 62.781 62.300 -0.042 0.000 0.910 91 V CB 1.473 33.273 31.823 -0.039 0.000 1.008 91 V HN 2.661 nan 8.190 nan 0.000 0.424 92 A N 5.763 128.572 122.820 -0.019 0.000 2.602 92 A HA 0.863 5.183 4.320 0.000 0.000 0.290 92 A C -1.860 175.753 177.584 0.047 0.000 1.114 92 A CA -0.780 51.268 52.037 0.019 0.000 0.683 92 A CB 1.619 20.633 19.000 0.023 0.000 1.281 92 A HN 0.922 nan 8.150 nan 0.000 0.416 93 L N 1.090 122.365 121.223 0.087 0.000 2.295 93 L HA 0.496 4.836 4.340 0.000 0.000 0.285 93 L C 0.887 177.806 176.870 0.081 0.000 1.035 93 L CA -0.559 54.356 54.840 0.126 0.000 0.806 93 L CB 1.727 43.881 42.059 0.159 0.000 1.214 93 L HN 0.860 nan 8.230 nan 0.000 0.426 94 T N 0.635 115.200 114.554 0.018 0.000 2.748 94 T HA 0.003 4.353 4.350 0.000 0.000 0.304 94 T C 1.444 176.209 174.700 0.109 0.000 1.041 94 T CA -0.297 61.759 62.100 -0.072 0.000 1.033 94 T CB 0.720 69.502 68.868 -0.142 0.000 0.995 94 T HN 0.907 nan 8.240 nan 0.000 0.536 95 C N 1.188 120.567 119.300 0.133 0.000 2.413 95 C HA -0.043 4.417 4.460 0.000 0.000 0.277 95 C C 2.808 177.936 174.990 0.230 0.000 1.265 95 C CA 1.461 60.524 59.018 0.076 0.000 1.752 95 C CB -2.184 25.476 27.740 -0.132 0.000 1.998 95 C HN 1.013 nan 8.230 nan 0.000 0.489 96 T N -0.064 114.615 114.554 0.209 0.000 2.896 96 T HA 0.137 4.488 4.350 0.000 0.000 0.263 96 T C 2.046 176.889 174.700 0.238 0.000 1.050 96 T CA 1.560 63.810 62.100 0.250 0.000 1.140 96 T CB -0.682 68.338 68.868 0.254 0.000 0.877 96 T HN 0.752 nan 8.240 nan 0.000 0.457 97 A N 1.404 124.373 122.820 0.248 0.000 2.019 97 A HA -0.019 4.301 4.320 0.000 0.000 0.219 97 A C 2.254 179.934 177.584 0.159 0.000 1.164 97 A CA 1.590 53.732 52.037 0.175 0.000 0.644 97 A CB -0.803 18.316 19.000 0.197 0.000 0.805 97 A HN 0.704 nan 8.150 nan 0.000 0.449 98 E N -0.171 120.147 120.200 0.196 0.000 2.268 98 E HA -0.086 4.264 4.350 0.000 0.000 0.195 98 E C 1.472 178.161 176.600 0.148 0.000 0.995 98 E CA 0.556 57.073 56.400 0.194 0.000 0.836 98 E CB -0.136 29.721 29.700 0.262 0.000 0.763 98 E HN 0.682 nan 8.360 nan 0.000 0.491 99 L N 0.718 122.024 121.223 0.138 0.000 2.492 99 L HA 0.024 4.364 4.340 0.000 0.000 0.223 99 L C 0.583 177.464 176.870 0.018 0.000 1.132 99 L CA -0.244 54.629 54.840 0.055 0.000 0.850 99 L CB -0.009 42.081 42.059 0.051 0.000 0.966 99 L HN 0.103 nan 8.230 nan 0.000 0.454 100 L N -0.634 120.599 121.223 0.017 0.000 2.448 100 L HA 0.167 4.507 4.340 0.000 0.000 0.258 100 L C 1.234 178.113 176.870 0.015 0.000 1.104 100 L CA 0.412 55.239 54.840 -0.022 0.000 0.800 100 L CB 0.427 42.430 42.059 -0.094 0.000 1.241 100 L HN -0.032 nan 8.230 nan 0.000 0.472 101 Q N -0.274 119.530 119.800 0.006 0.000 2.319 101 Q HA 0.119 4.459 4.340 0.000 0.000 0.202 101 Q C -0.798 175.219 176.000 0.027 0.000 0.896 101 Q CA 0.057 55.869 55.803 0.015 0.000 0.942 101 Q CB 0.252 28.990 28.738 0.001 0.000 1.083 101 Q HN 0.558 nan 8.270 nan 0.000 0.510 102 D N 1.694 122.124 120.400 0.050 0.000 2.389 102 D HA 0.041 4.681 4.640 0.000 0.000 0.247 102 D C -0.355 175.964 176.300 0.032 0.000 1.128 102 D CA 0.179 54.202 54.000 0.038 0.000 0.884 102 D CB 0.929 41.759 40.800 0.050 0.000 1.194 102 D HN -0.056 nan 8.370 nan 0.000 0.441 103 D N 2.114 122.516 120.400 0.002 0.000 2.373 103 D HA 0.164 4.804 4.640 0.000 0.000 0.227 103 D C -1.565 174.723 176.300 -0.020 0.000 1.091 103 D CA -2.027 51.974 54.000 0.003 0.000 0.840 103 D CB 1.514 42.315 40.800 0.002 0.000 1.060 103 D HN -0.028 nan 8.370 nan 0.000 0.502 104 P HA -0.152 nan 4.420 nan 0.000 0.218 104 P C 1.072 178.353 177.300 -0.031 0.000 1.149 104 P CA 0.808 63.887 63.100 -0.035 0.000 0.817 104 P CB 0.291 31.986 31.700 -0.009 0.000 0.785 105 N N 0.307 118.997 118.700 -0.016 0.000 2.039 105 N HA -0.121 4.619 4.740 0.000 0.000 0.193 105 N C 2.150 177.646 175.510 -0.022 0.000 1.044 105 N CA 1.672 54.712 53.050 -0.016 0.000 0.847 105 N CB -0.669 37.813 38.487 -0.008 0.000 1.030 105 N HN 0.039 nan 8.380 nan 0.000 0.422 106 G N 1.286 110.075 108.800 -0.019 0.000 2.422 106 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 106 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 106 G C 1.658 176.541 174.900 -0.028 0.000 1.146 106 G CA 0.461 45.549 45.100 -0.020 0.000 0.769 106 G HN 0.311 nan 8.290 nan 0.000 0.547 107 I N 1.653 122.201 120.570 -0.037 0.000 2.179 107 I HA -0.212 3.958 4.170 0.000 0.000 0.242 107 I C 3.112 179.202 176.117 -0.044 0.000 1.088 107 I CA 1.708 62.980 61.300 -0.046 0.000 1.357 107 I CB -0.097 37.860 38.000 -0.072 0.000 1.051 107 I HN 0.336 nan 8.210 nan 0.000 0.409 108 S N 0.314 115.987 115.700 -0.044 0.000 2.446 108 S HA -0.016 4.454 4.470 0.000 0.000 0.225 108 S C 2.030 176.604 174.600 -0.042 0.000 1.016 108 S CA 0.149 58.322 58.200 -0.045 0.000 0.943 108 S CB -0.312 62.862 63.200 -0.044 0.000 0.786 108 S HN 0.342 nan 8.310 nan 0.000 0.508 109 R N 1.422 121.901 120.500 -0.035 0.000 2.081 109 R HA 0.093 4.433 4.340 0.000 0.000 0.235 109 R C 2.648 178.930 176.300 -0.031 0.000 1.131 109 R CA 1.306 57.388 56.100 -0.031 0.000 0.960 109 R CB -0.696 29.590 30.300 -0.024 0.000 0.856 109 R HN 0.571 nan 8.270 nan 0.000 0.436 110 A N 1.028 123.830 122.820 -0.030 0.000 1.969 110 A HA -0.074 4.246 4.320 0.000 0.000 0.218 110 A C 2.101 179.666 177.584 -0.031 0.000 1.169 110 A CA 0.790 52.811 52.037 -0.027 0.000 0.635 110 A CB -0.340 18.645 19.000 -0.024 0.000 0.810 110 A HN 0.216 nan 8.150 nan 0.000 0.445 111 L N -1.493 119.707 121.223 -0.038 0.000 2.156 111 L HA -0.111 4.229 4.340 0.000 0.000 0.208 111 L C 0.508 177.344 176.870 -0.056 0.000 1.095 111 L CA 0.977 55.790 54.840 -0.044 0.000 0.770 111 L CB -0.192 41.837 42.059 -0.049 0.000 0.914 111 L HN 0.545 nan 8.230 nan 0.000 0.439 112 N N 0.472 119.136 118.700 -0.060 0.000 2.756 112 N HA -0.172 4.568 4.740 0.000 0.000 0.248 112 N C -0.553 174.902 175.510 -0.091 0.000 1.062 112 N CA 0.250 53.263 53.050 -0.062 0.000 0.696 112 N CB -1.142 37.318 38.487 -0.044 0.000 0.946 112 N HN -0.008 nan 8.380 nan 0.000 0.548 113 L N 0.770 121.913 121.223 -0.133 0.000 2.472 113 L HA 0.299 4.639 4.340 0.000 0.000 0.260 113 L C -0.535 176.218 176.870 -0.195 0.000 1.209 113 L CA -0.989 53.707 54.840 -0.240 0.000 0.817 113 L CB -0.265 41.590 42.059 -0.339 0.000 1.106 113 L HN 0.118 nan 8.230 nan 0.000 0.479 114 P HA 0.066 nan 4.420 nan 0.000 0.249 114 P C -0.705 176.571 177.300 -0.040 0.000 1.229 114 P CA 0.321 63.368 63.100 -0.087 0.000 0.788 114 P CB 0.108 31.799 31.700 -0.015 0.000 1.072 115 V N -5.011 114.859 119.914 -0.073 0.000 3.040 115 V HA 0.714 4.834 4.120 0.000 0.000 0.312 115 V C -2.978 173.098 176.094 -0.030 0.000 1.115 115 V CA -3.239 59.055 62.300 -0.011 0.000 0.998 115 V CB 1.202 33.061 31.823 0.060 0.000 1.042 115 V HN -0.336 nan 8.190 nan 0.000 0.433 116 P HA 0.360 nan 4.420 nan 0.000 0.268 116 P C -0.844 176.444 177.300 -0.020 0.000 1.204 116 P CA 0.019 63.108 63.100 -0.018 0.000 0.768 116 P CB 0.808 32.501 31.700 -0.011 0.000 0.842 117 V N 4.422 124.319 119.914 -0.028 0.000 2.407 117 V HA 0.201 4.321 4.120 0.000 0.000 0.291 117 V C 0.025 176.103 176.094 -0.027 0.000 1.018 117 V CA -0.713 61.571 62.300 -0.027 0.000 0.842 117 V CB 1.929 33.731 31.823 -0.036 0.000 0.996 117 V HN 0.218 nan 8.190 nan 0.000 0.426 118 V N 7.958 127.857 119.914 -0.025 0.000 2.364 118 V HA 0.348 4.468 4.120 0.000 0.000 0.272 118 V C -1.905 174.176 176.094 -0.023 0.000 1.036 118 V CA -1.612 60.672 62.300 -0.026 0.000 0.880 118 V CB 1.422 33.228 31.823 -0.029 0.000 0.991 118 V HN 0.709 nan 8.190 nan 0.000 0.460 119 P HA 0.407 nan 4.420 nan 0.000 0.278 119 P C -1.115 176.183 177.300 -0.003 0.000 1.238 119 P CA -0.291 62.803 63.100 -0.010 0.000 0.794 119 P CB 1.307 33.002 31.700 -0.007 0.000 0.955 120 L N 2.069 123.299 121.223 0.011 0.000 2.385 120 L HA 0.435 4.775 4.340 0.000 0.000 0.273 120 L C 0.425 177.327 176.870 0.053 0.000 0.990 120 L CA -0.661 54.193 54.840 0.024 0.000 0.821 120 L CB 2.107 44.178 42.059 0.020 0.000 1.279 120 L HN 0.255 nan 8.230 nan 0.000 0.412 121 E N 4.586 124.827 120.200 0.068 0.000 2.167 121 E HA 0.546 4.896 4.350 0.000 0.000 0.284 121 E C -1.099 175.593 176.600 0.153 0.000 1.016 121 E CA -0.304 56.157 56.400 0.101 0.000 0.817 121 E CB 1.541 31.298 29.700 0.095 0.000 1.080 121 E HN 0.398 nan 8.360 nan 0.000 0.397 122 L N 5.447 126.768 121.223 0.163 0.000 2.485 122 L HA 0.334 4.674 4.340 0.000 0.000 0.260 122 L C -2.465 174.512 176.870 0.177 0.000 0.998 122 L CA -2.174 52.794 54.840 0.212 0.000 0.883 122 L CB 1.604 43.773 42.059 0.183 0.000 1.196 122 L HN 0.296 nan 8.230 nan 0.000 0.443 123 P HA 0.113 nan 4.420 nan 0.000 0.271 123 P C 0.565 177.917 177.300 0.088 0.000 1.380 123 P CA 0.118 63.283 63.100 0.109 0.000 0.992 123 P CB 1.349 33.072 31.700 0.038 0.000 1.230 124 S N 1.900 117.655 115.700 0.091 0.000 2.527 124 S HA -0.023 4.447 4.470 0.000 0.000 0.222 124 S C 0.698 175.140 174.600 -0.263 0.000 0.985 124 S CA 0.504 58.663 58.200 -0.067 0.000 0.921 124 S CB -0.477 62.662 63.200 -0.102 0.000 0.772 124 S HN 0.354 nan 8.310 nan 0.000 0.529 125 Y N 0.620 120.951 120.300 0.052 0.000 2.458 125 Y HA 0.251 4.801 4.550 0.000 0.000 0.256 125 Y C 2.293 178.205 175.900 0.020 0.000 1.159 125 Y CA 0.368 58.490 58.100 0.038 0.000 1.261 125 Y CB 0.423 38.905 38.460 0.036 0.000 1.119 125 Y HN 0.426 nan 8.280 nan 0.000 0.524 126 S N -1.681 114.082 115.700 0.104 0.000 2.663 126 S HA 0.325 4.795 4.470 0.000 0.000 0.247 126 S C 0.523 175.109 174.600 -0.023 0.000 1.074 126 S CA -0.439 57.785 58.200 0.040 0.000 0.955 126 S CB 0.542 63.757 63.200 0.024 0.000 0.901 126 S HN -0.114 nan 8.310 nan 0.000 0.505 127 R N 1.382 121.852 120.500 -0.051 0.000 2.828 127 R HA 0.729 5.069 4.340 0.000 0.000 0.264 127 R C -0.583 175.728 176.300 0.017 0.000 1.022 127 R CA -0.528 55.520 56.100 -0.087 0.000 1.021 127 R CB 0.929 31.050 30.300 -0.298 0.000 1.163 127 R HN 0.291 nan 8.270 nan 0.000 0.494 128 K N 0.149 120.596 120.400 0.077 0.000 2.208 128 K HA 0.245 4.565 4.320 0.000 0.000 0.240 128 K C 1.066 177.741 176.600 0.124 0.000 1.088 128 K CA -0.816 55.520 56.287 0.083 0.000 0.902 128 K CB 1.049 33.596 32.500 0.079 0.000 1.355 128 K HN 0.549 nan 8.250 nan 0.000 0.526 129 E N 0.918 121.159 120.200 0.069 0.000 2.033 129 E HA -0.312 4.038 4.350 0.000 0.000 0.199 129 E C 1.329 177.985 176.600 0.094 0.000 1.011 129 E CA 1.935 58.366 56.400 0.052 0.000 0.815 129 E CB -0.033 29.674 29.700 0.010 0.000 0.755 129 E HN 0.368 nan 8.360 nan 0.000 0.451 130 N N -0.260 118.516 118.700 0.126 0.000 2.094 130 N HA -0.220 4.520 4.740 0.000 0.000 0.191 130 N C 1.647 177.237 175.510 0.133 0.000 1.023 130 N CA 1.472 54.601 53.050 0.130 0.000 0.857 130 N CB -0.734 37.845 38.487 0.154 0.000 1.013 130 N HN 0.355 nan 8.380 nan 0.000 0.426 131 Y N 1.235 121.575 120.300 0.068 0.000 2.145 131 Y HA -0.130 4.420 4.550 0.000 0.000 0.286 131 Y C 2.372 178.310 175.900 0.062 0.000 1.145 131 Y CA 1.985 60.123 58.100 0.064 0.000 1.148 131 Y CB -0.780 37.715 38.460 0.058 0.000 0.981 131 Y HN 0.048 nan 8.280 nan 0.000 0.507 132 G N 0.077 108.949 108.800 0.119 0.000 2.513 132 G HA2 -0.384 3.576 3.960 0.000 0.000 0.219 132 G HA3 -0.384 3.576 3.960 0.000 0.000 0.219 132 G C 1.822 176.696 174.900 -0.044 0.000 1.160 132 G CA 1.476 46.597 45.100 0.035 0.000 0.767 132 G HN 0.644 nan 8.290 nan 0.000 0.571 133 A N 0.615 123.431 122.820 -0.006 0.000 1.877 133 A HA -0.067 4.253 4.320 0.000 0.000 0.216 133 A C 2.127 179.713 177.584 0.003 0.000 1.186 133 A CA 2.259 54.300 52.037 0.008 0.000 0.620 133 A CB -0.591 18.428 19.000 0.032 0.000 0.822 133 A HN 0.377 nan 8.150 nan 0.000 0.443 134 D N -0.587 119.785 120.400 -0.047 0.000 2.117 134 D HA -0.173 4.468 4.640 0.000 0.000 0.197 134 D C 1.928 178.150 176.300 -0.131 0.000 0.987 134 D CA 1.603 55.577 54.000 -0.042 0.000 0.829 134 D CB -0.137 40.629 40.800 -0.056 0.000 0.961 134 D HN 0.473 nan 8.370 nan 0.000 0.460 135 E N -0.473 119.513 120.200 -0.357 0.000 2.051 135 E HA -0.120 4.230 4.350 0.000 0.000 0.192 135 E C 1.955 178.474 176.600 -0.134 0.000 0.991 135 E CA 1.930 58.126 56.400 -0.339 0.000 0.799 135 E CB -0.674 28.685 29.700 -0.569 0.000 0.748 135 E HN 0.165 nan 8.360 nan 0.000 0.449 136 T N 0.377 114.889 114.554 -0.070 0.000 2.708 136 T HA -0.134 4.216 4.350 0.000 0.000 0.266 136 T C 1.398 176.137 174.700 0.066 0.000 1.037 136 T CA 1.347 63.447 62.100 0.000 0.000 1.146 136 T CB -0.569 68.311 68.868 0.019 0.000 0.865 136 T HN 0.221 nan 8.240 nan 0.000 0.435 137 F N 2.362 122.266 119.950 -0.077 0.000 2.102 137 F HA 0.004 4.531 4.527 0.000 0.000 0.298 137 F C 2.511 178.263 175.800 -0.079 0.000 1.105 137 F CA 1.032 58.996 58.000 -0.060 0.000 1.239 137 F CB -0.447 38.529 39.000 -0.039 0.000 0.991 137 F HN -0.072 nan 8.300 nan 0.000 0.474 138 R N 0.388 120.803 120.500 -0.141 0.000 2.096 138 R HA -0.204 4.137 4.340 0.000 0.000 0.240 138 R C 2.285 178.419 176.300 -0.275 0.000 1.139 138 R CA 1.653 57.595 56.100 -0.263 0.000 0.952 138 R CB -0.784 29.413 30.300 -0.171 0.000 0.854 138 R HN 0.362 nan 8.270 nan 0.000 0.436 139 A N 0.889 123.605 122.820 -0.174 0.000 1.902 139 A HA -0.135 4.186 4.320 0.000 0.000 0.217 139 A C 2.052 179.546 177.584 -0.151 0.000 1.181 139 A CA 0.960 52.906 52.037 -0.151 0.000 0.623 139 A CB -0.422 18.526 19.000 -0.086 0.000 0.818 139 A HN 0.273 nan 8.150 nan 0.000 0.443 140 L N -0.441 120.712 121.223 -0.117 0.000 2.083 140 L HA -0.107 4.233 4.340 0.000 0.000 0.209 140 L C 2.536 179.317 176.870 -0.147 0.000 1.083 140 L CA 1.316 56.105 54.840 -0.086 0.000 0.752 140 L CB -0.778 41.285 42.059 0.006 0.000 0.899 140 L HN 0.220 nan 8.230 nan 0.000 0.433 141 V N -1.066 118.681 119.914 -0.280 0.000 2.407 141 V HA -0.207 3.913 4.120 0.000 0.000 0.245 141 V C 2.680 178.633 176.094 -0.235 0.000 1.041 141 V CA 1.349 63.477 62.300 -0.286 0.000 1.040 141 V CB -0.468 31.076 31.823 -0.466 0.000 0.671 141 V HN 0.376 nan 8.190 nan 0.000 0.455 142 R N 1.017 121.265 120.500 -0.419 0.000 2.091 142 R HA -0.170 4.170 4.340 0.000 0.000 0.238 142 R C 2.168 178.367 176.300 -0.168 0.000 1.136 142 R CA 1.979 57.794 56.100 -0.476 0.000 0.959 142 R CB -0.679 29.330 30.300 -0.485 0.000 0.856 142 R HN 0.458 nan 8.270 nan 0.000 0.437 143 A N -0.311 122.429 122.820 -0.133 0.000 1.930 143 A HA -0.039 4.281 4.320 0.000 0.000 0.217 143 A C 2.013 179.574 177.584 -0.038 0.000 1.175 143 A CA 1.400 53.396 52.037 -0.069 0.000 0.627 143 A CB -0.189 18.775 19.000 -0.060 0.000 0.815 143 A HN 0.377 nan 8.150 nan 0.000 0.443 144 L N -1.835 119.365 121.223 -0.038 0.000 2.547 144 L HA 0.318 4.658 4.340 0.000 0.000 0.218 144 L C 1.338 178.208 176.870 0.001 0.000 1.048 144 L CA 0.253 55.084 54.840 -0.015 0.000 0.859 144 L CB -0.114 41.938 42.059 -0.013 0.000 1.128 144 L HN 0.268 nan 8.230 nan 0.000 0.483 145 A N 1.166 123.990 122.820 0.007 0.000 2.425 145 A HA 0.499 4.819 4.320 0.000 0.000 0.249 145 A C -0.265 177.342 177.584 0.037 0.000 1.084 145 A CA -0.124 51.927 52.037 0.025 0.000 0.781 145 A CB 0.213 19.233 19.000 0.033 0.000 1.019 145 A HN 0.085 nan 8.150 nan 0.000 0.490 146 V N 0.395 120.320 119.914 0.019 0.000 2.962 146 V HA 0.719 4.839 4.120 0.000 0.000 0.313 146 V C -2.567 173.526 176.094 -0.001 0.000 1.099 146 V CA -2.112 60.195 62.300 0.012 0.000 0.971 146 V CB 0.669 32.498 31.823 0.010 0.000 1.028 146 V HN 0.785 nan 8.190 nan 0.000 0.430 150 R N 1.769 122.270 120.500 0.002 0.000 2.623 150 R HA 0.243 4.583 4.340 0.000 0.000 0.271 150 R C -0.073 176.282 176.300 0.092 0.000 1.043 150 R CA 0.676 56.789 56.100 0.021 0.000 1.083 150 R CB 0.395 30.633 30.300 -0.102 0.000 0.974 150 R HN 0.639 nan 8.270 nan 0.000 0.436 151 T N 1.817 116.472 114.554 0.169 0.000 2.900 151 T HA 0.148 4.498 4.350 0.000 0.000 0.307 151 T C -1.411 173.399 174.700 0.184 0.000 1.065 151 T CA -1.229 60.956 62.100 0.142 0.000 1.105 151 T CB 0.909 69.836 68.868 0.097 0.000 0.979 151 T HN 0.447 nan 8.240 nan 0.000 0.544 152 P HA -0.048 nan 4.420 nan 0.000 0.216 152 P C 0.328 177.672 177.300 0.073 0.000 1.153 152 P CA 1.144 64.296 63.100 0.087 0.000 0.848 152 P CB 0.121 31.849 31.700 0.047 0.000 0.787 153 E N 0.200 120.409 120.200 0.015 0.000 2.349 153 E HA 0.191 4.541 4.350 0.000 0.000 0.265 153 E C -0.067 176.390 176.600 -0.238 0.000 1.064 153 E CA -0.882 55.484 56.400 -0.058 0.000 0.886 153 E CB 0.937 30.608 29.700 -0.047 0.000 1.036 153 E HN -0.146 nan 8.360 nan 0.000 0.413 154 V N 2.995 122.714 119.914 -0.326 0.000 2.425 154 V HA 0.029 4.149 4.120 0.000 0.000 0.276 154 V C 0.762 176.665 176.094 -0.318 0.000 1.017 154 V CA 0.427 62.368 62.300 -0.598 0.000 1.062 154 V CB -0.646 31.036 31.823 -0.234 0.000 0.997 154 V HN 0.751 nan 8.190 nan 0.000 0.476 155 T N 2.370 116.717 114.554 -0.345 0.000 2.926 155 T HA 0.814 5.165 4.350 0.000 0.000 0.289 155 T C -0.305 174.290 174.700 -0.175 0.000 1.054 155 T CA -0.504 61.508 62.100 -0.146 0.000 1.015 155 T CB 2.043 70.860 68.868 -0.084 0.000 1.167 155 T HN 0.949 nan 8.240 nan 0.000 0.526 156 C N 0.105 119.231 119.300 -0.289 0.000 3.291 156 C HA 0.803 5.263 4.460 0.000 0.000 0.316 156 C C -0.984 173.819 174.990 -0.312 0.000 1.391 156 C CA -1.139 57.530 59.018 -0.581 0.000 1.394 156 C CB 0.228 27.164 27.740 -1.340 0.000 1.744 156 C HN 1.082 nan 8.230 nan 0.000 0.461 157 N N 0.070 118.603 118.700 -0.279 0.000 2.417 157 N HA 0.702 5.442 4.740 0.000 0.000 0.300 157 N C -1.224 174.229 175.510 -0.096 0.000 1.102 157 N CA -0.584 52.395 53.050 -0.118 0.000 0.886 157 N CB 1.284 39.749 38.487 -0.036 0.000 1.203 157 N HN 0.606 nan 8.380 nan 0.000 0.496 158 L N 2.264 123.466 121.223 -0.036 0.000 2.272 158 L HA 0.448 4.788 4.340 0.000 0.000 0.289 158 L C -1.087 175.799 176.870 0.026 0.000 1.032 158 L CA -0.698 54.131 54.840 -0.018 0.000 0.810 158 L CB 0.609 42.650 42.059 -0.030 0.000 1.205 158 L HN 0.265 nan 8.230 nan 0.000 0.422 159 L N 2.820 124.067 121.223 0.041 0.000 2.356 159 L HA 0.700 5.040 4.340 0.000 0.000 0.277 159 L C 0.611 177.521 176.870 0.066 0.000 0.996 159 L CA 0.256 55.170 54.840 0.123 0.000 0.822 159 L CB 1.555 43.718 42.059 0.173 0.000 1.256 159 L HN 0.772 nan 8.230 nan 0.000 0.413 160 G N 2.648 111.437 108.800 -0.019 0.000 2.231 160 G HA2 -0.099 3.861 3.960 0.000 0.000 0.206 160 G HA3 -0.099 3.861 3.960 0.000 0.000 0.206 160 G C 0.337 175.273 174.900 0.061 0.000 0.996 160 G CA -0.116 44.996 45.100 0.019 0.000 0.645 160 G HN 0.962 nan 8.290 nan 0.000 0.498 161 A N 0.917 123.749 122.820 0.020 0.000 2.450 161 A HA 0.742 5.062 4.320 0.000 0.000 0.255 161 A C 0.755 178.401 177.584 0.103 0.000 1.096 161 A CA 1.462 53.538 52.037 0.064 0.000 0.778 161 A CB 0.277 19.313 19.000 0.061 0.000 1.031 161 A HN 1.852 nan 8.150 nan 0.000 0.494 162 T N -0.946 113.813 114.554 0.342 0.000 2.838 162 T HA 0.772 5.122 4.350 0.000 0.000 0.292 162 T C 0.035 174.794 174.700 0.098 0.000 1.113 162 T CA -0.158 62.009 62.100 0.112 0.000 1.008 162 T CB 1.163 70.058 68.868 0.045 0.000 1.259 162 T HN 1.684 nan 8.240 nan 0.000 0.520 163 A N 1.236 124.112 122.820 0.093 0.000 2.366 163 A HA 0.596 4.916 4.320 0.000 0.000 0.249 163 A C 1.321 178.944 177.584 0.066 0.000 1.084 163 A CA -0.517 51.605 52.037 0.142 0.000 0.794 163 A CB -0.855 18.318 19.000 0.289 0.000 1.034 163 A HN 1.567 nan 8.150 nan 0.000 0.491 164 L N -0.690 120.512 121.223 -0.034 0.000 4.001 164 L HA -0.222 4.118 4.340 0.000 0.000 0.413 164 L C 0.948 177.819 176.870 0.001 0.000 1.185 164 L CA 0.342 55.107 54.840 -0.125 0.000 0.963 164 L CB -2.035 39.828 42.059 -0.328 0.000 1.976 164 L HN 0.990 nan 8.230 nan 0.000 0.939 165 G N -0.487 108.188 108.800 -0.209 0.000 2.377 165 G HA2 0.394 4.354 3.960 0.000 0.000 0.299 165 G HA3 0.394 4.354 3.960 0.000 0.000 0.299 165 G C -0.679 173.898 174.900 -0.537 0.000 1.150 165 G CA -0.437 44.059 45.100 -1.007 0.000 0.847 165 G HN 0.105 nan 8.290 nan 0.000 0.501 166 F N 3.781 123.437 119.950 -0.491 0.000 2.506 166 F HA 0.243 4.770 4.527 0.000 0.000 0.369 166 F C 1.288 176.986 175.800 -0.170 0.000 1.114 166 F CA -0.564 57.216 58.000 -0.367 0.000 1.121 166 F CB 0.232 39.066 39.000 -0.276 0.000 1.104 166 F HN 0.530 nan 8.300 nan 0.000 0.564 167 R N 3.364 123.414 120.500 -0.751 0.000 3.770 167 R HA -0.284 4.056 4.340 0.000 0.000 0.305 167 R C 0.880 177.140 176.300 -0.067 0.000 1.184 167 R CA 1.107 56.899 56.100 -0.513 0.000 0.823 167 R CB -2.873 27.038 30.300 -0.648 0.000 1.285 167 R HN 0.769 nan 8.270 nan 0.000 0.499 168 H N 0.484 119.454 119.070 -0.167 0.000 2.321 168 H HA -0.003 4.553 4.556 0.000 0.000 0.300 168 H C 2.152 177.490 175.328 0.016 0.000 1.087 168 H CA 1.919 57.962 56.048 -0.009 0.000 1.319 168 H CB -0.051 29.684 29.762 -0.044 0.000 1.379 168 H HN 0.376 nan 8.280 nan 0.000 0.501 169 R N 0.572 121.142 120.500 0.118 0.000 2.115 169 R HA -0.175 4.165 4.340 0.000 0.000 0.239 169 R C 1.101 177.428 176.300 0.045 0.000 1.133 169 R CA 2.347 58.492 56.100 0.076 0.000 0.935 169 R CB -0.104 30.235 30.300 0.064 0.000 0.853 169 R HN 0.339 nan 8.270 nan 0.000 0.433 170 D N -0.212 120.168 120.400 -0.034 0.000 2.289 170 D HA -0.062 4.579 4.640 0.000 0.000 0.207 170 D C 1.344 177.576 176.300 -0.114 0.000 0.966 170 D CA 0.618 54.558 54.000 -0.100 0.000 0.868 170 D CB -0.208 40.344 40.800 -0.414 0.000 0.943 170 D HN 0.266 nan 8.370 nan 0.000 0.514 171 D N 0.486 120.839 120.400 -0.078 0.000 2.097 171 D HA -0.101 4.539 4.640 0.000 0.000 0.195 171 D C 2.319 178.583 176.300 -0.060 0.000 0.989 171 D CA 0.450 54.407 54.000 -0.071 0.000 0.827 171 D CB -0.197 40.612 40.800 0.014 0.000 0.966 171 D HN -0.001 nan 8.370 nan 0.000 0.456 172 V N 1.378 121.285 119.914 -0.012 0.000 2.282 172 V HA -0.297 3.823 4.120 0.000 0.000 0.249 172 V C 2.494 178.595 176.094 0.012 0.000 1.057 172 V CA 2.040 64.336 62.300 -0.007 0.000 1.032 172 V CB -0.840 30.998 31.823 0.025 0.000 0.645 172 V HN 0.210 nan 8.190 nan 0.000 0.447 173 A N -0.369 122.485 122.820 0.058 0.000 1.877 173 A HA -0.261 4.059 4.320 0.000 0.000 0.216 173 A C 2.199 179.839 177.584 0.094 0.000 1.186 173 A CA 2.096 54.193 52.037 0.101 0.000 0.620 173 A CB -0.518 18.606 19.000 0.206 0.000 0.822 173 A HN 0.574 nan 8.150 nan 0.000 0.443 174 E N -0.220 120.037 120.200 0.095 0.000 2.072 174 E HA -0.104 4.246 4.350 0.000 0.000 0.191 174 E C 1.830 178.413 176.600 -0.029 0.000 0.985 174 E CA 1.422 57.856 56.400 0.057 0.000 0.801 174 E CB -0.331 29.373 29.700 0.007 0.000 0.750 174 E HN 0.230 nan 8.360 nan 0.000 0.452 175 V N 0.395 120.265 119.914 -0.073 0.000 2.332 175 V HA -0.295 3.825 4.120 0.000 0.000 0.248 175 V C 2.279 178.369 176.094 -0.006 0.000 1.055 175 V CA 2.225 64.472 62.300 -0.087 0.000 1.038 175 V CB -0.906 30.832 31.823 -0.141 0.000 0.651 175 V HN 0.381 nan 8.190 nan 0.000 0.450 176 T N -0.558 113.997 114.554 0.001 0.000 2.759 176 T HA -0.247 4.103 4.350 0.000 0.000 0.269 176 T C 1.950 176.663 174.700 0.023 0.000 1.042 176 T CA 1.669 63.779 62.100 0.016 0.000 1.140 176 T CB -0.213 68.663 68.868 0.013 0.000 0.864 176 T HN 0.468 nan 8.240 nan 0.000 0.455 177 K N 0.622 121.034 120.400 0.020 0.000 2.025 177 K HA -0.047 4.273 4.320 0.000 0.000 0.207 177 K C 2.135 178.750 176.600 0.025 0.000 1.049 177 K CA 1.177 57.478 56.287 0.022 0.000 0.933 177 K CB -0.319 32.197 32.500 0.028 0.000 0.714 177 K HN 0.324 nan 8.250 nan 0.000 0.438 178 L N -0.764 120.466 121.223 0.012 0.000 2.291 178 L HA -0.011 4.329 4.340 0.000 0.000 0.214 178 L C 1.688 178.597 176.870 0.065 0.000 1.120 178 L CA 1.437 56.287 54.840 0.016 0.000 0.799 178 L CB -0.699 41.318 42.059 -0.069 0.000 0.925 178 L HN 0.003 nan 8.230 nan 0.000 0.446 179 L N 0.355 121.629 121.223 0.085 0.000 2.095 179 L HA 0.034 4.374 4.340 0.000 0.000 0.204 179 L C 2.911 179.815 176.870 0.057 0.000 1.080 179 L CA 1.004 55.901 54.840 0.095 0.000 0.759 179 L CB -0.864 41.265 42.059 0.117 0.000 0.914 179 L HN 0.377 nan 8.230 nan 0.000 0.439 180 A N -0.401 122.443 122.820 0.040 0.000 1.978 180 A HA -0.109 4.211 4.320 0.000 0.000 0.220 180 A C 1.521 179.121 177.584 0.027 0.000 1.170 180 A CA 1.534 53.586 52.037 0.026 0.000 0.636 180 A CB -0.891 18.120 19.000 0.019 0.000 0.810 180 A HN 0.395 nan 8.150 nan 0.000 0.448 184 I N 1.771 122.356 120.570 0.024 0.000 2.354 184 I HA 0.353 4.523 4.170 0.000 0.000 0.286 184 I C 0.095 176.222 176.117 0.016 0.000 1.007 184 I CA -0.648 60.673 61.300 0.035 0.000 1.167 184 I CB 1.584 39.651 38.000 0.112 0.000 1.320 184 I HN -0.132 nan 8.210 nan 0.000 0.458 185 K N 5.231 125.624 120.400 -0.012 0.000 2.144 185 K HA 0.475 4.795 4.320 0.000 0.000 0.270 185 K C -0.340 176.237 176.600 -0.039 0.000 1.005 185 K CA -0.749 55.527 56.287 -0.019 0.000 0.932 185 K CB 2.059 34.546 32.500 -0.021 0.000 1.021 185 K HN 0.473 nan 8.250 nan 0.000 0.462 186 V N 0.138 120.031 119.914 -0.034 0.000 2.583 186 V HA 0.090 4.210 4.120 0.000 0.000 0.287 186 V C 0.812 176.882 176.094 -0.041 0.000 1.051 186 V CA -0.537 61.732 62.300 -0.052 0.000 1.010 186 V CB 1.247 33.048 31.823 -0.036 0.000 0.988 186 V HN 0.798 nan 8.190 nan 0.000 0.478 187 N N 3.757 122.426 118.700 -0.052 0.000 2.187 187 N HA 0.009 4.749 4.740 0.000 0.000 0.190 187 N C 0.388 175.891 175.510 -0.010 0.000 1.052 187 N CA 1.638 54.672 53.050 -0.027 0.000 0.863 187 N CB 0.307 38.779 38.487 -0.025 0.000 1.041 187 N HN 0.887 nan 8.380 nan 0.000 0.447 188 V N -0.144 119.766 119.914 -0.007 0.000 2.735 188 V HA 0.500 4.620 4.120 0.000 0.000 0.310 188 V C -1.181 174.923 176.094 0.017 0.000 1.061 188 V CA -1.079 61.230 62.300 0.014 0.000 0.913 188 V CB 1.188 33.031 31.823 0.033 0.000 1.005 188 V HN 0.424 nan 8.190 nan 0.000 0.428 189 C N 6.865 126.177 119.300 0.020 0.000 2.264 189 C HA 0.953 5.413 4.460 0.000 0.000 0.324 189 C C 0.313 175.319 174.990 0.028 0.000 1.267 189 C CA 0.478 59.507 59.018 0.018 0.000 1.618 189 C CB -0.506 27.238 27.740 0.007 0.000 2.278 189 C HN 1.612 nan 8.230 nan 0.000 0.499 190 A N 7.412 130.253 122.820 0.036 0.000 2.539 190 A HA 0.853 5.173 4.320 0.000 0.000 0.296 190 A C -2.188 175.177 177.584 -0.365 0.000 1.073 190 A CA -1.012 51.026 52.037 0.002 0.000 0.700 190 A CB 1.480 20.642 19.000 0.269 0.000 1.296 190 A HN 0.561 nan 8.150 nan 0.000 0.405 191 P HA -0.046 nan 4.420 nan 0.000 0.221 191 P C 0.669 177.901 177.300 -0.114 0.000 1.150 191 P CA 0.477 63.387 63.100 -0.317 0.000 0.800 191 P CB -0.095 31.379 31.700 -0.376 0.000 0.787 192 L N 0.757 121.926 121.223 -0.091 0.000 2.654 192 L HA 0.271 4.611 4.340 0.000 0.000 0.271 192 L C 1.317 178.189 176.870 0.003 0.000 1.169 192 L CA 1.480 56.313 54.840 -0.012 0.000 0.947 192 L CB -1.092 40.990 42.059 0.038 0.000 1.232 192 L HN 0.385 nan 8.230 nan 0.000 0.486 193 G N 2.769 111.573 108.800 0.007 0.000 2.213 193 G HA2 -0.182 3.778 3.960 0.000 0.000 0.236 193 G HA3 -0.182 3.778 3.960 0.000 0.000 0.236 193 G C 0.386 175.294 174.900 0.013 0.000 0.991 193 G CA 0.116 45.223 45.100 0.012 0.000 0.629 193 G HN 1.181 nan 8.290 nan 0.000 0.517 194 A N 0.125 122.954 122.820 0.016 0.000 2.286 194 A HA 0.862 5.182 4.320 0.000 0.000 0.286 194 A C 0.715 178.315 177.584 0.027 0.000 1.097 194 A CA 0.883 52.938 52.037 0.030 0.000 0.821 194 A CB 0.859 19.894 19.000 0.058 0.000 1.076 194 A HN 1.867 nan 8.150 nan 0.000 0.490 195 S N 0.628 116.346 115.700 0.029 0.000 2.664 195 S HA 0.614 5.084 4.470 0.000 0.000 0.304 195 S C -2.330 172.291 174.600 0.034 0.000 1.099 195 S CA -1.341 56.874 58.200 0.025 0.000 1.003 195 S CB 1.386 64.597 63.200 0.018 0.000 1.092 195 S HN 0.334 nan 8.310 nan 0.000 0.525 196 P HA -0.129 nan 4.420 nan 0.000 0.216 196 P C 0.548 177.864 177.300 0.026 0.000 1.154 196 P CA 1.435 64.552 63.100 0.028 0.000 0.865 196 P CB -0.089 31.624 31.700 0.022 0.000 0.789 197 D N -0.902 119.512 120.400 0.023 0.000 2.123 197 D HA -0.156 4.484 4.640 0.000 0.000 0.196 197 D C 1.604 177.918 176.300 0.023 0.000 0.992 197 D CA 1.104 55.116 54.000 0.021 0.000 0.833 197 D CB -0.879 39.932 40.800 0.018 0.000 0.954 197 D HN 0.161 nan 8.370 nan 0.000 0.455 198 D N -0.167 120.250 120.400 0.028 0.000 2.149 198 D HA -0.114 4.526 4.640 0.000 0.000 0.198 198 D C 2.064 178.387 176.300 0.038 0.000 0.990 198 D CA 0.398 54.417 54.000 0.032 0.000 0.839 198 D CB -0.168 40.653 40.800 0.036 0.000 0.948 198 D HN 0.134 nan 8.370 nan 0.000 0.460 199 L N 0.785 122.035 121.223 0.045 0.000 2.191 199 L HA -0.078 4.262 4.340 0.000 0.000 0.212 199 L C 2.311 179.194 176.870 0.022 0.000 1.103 199 L CA 1.188 56.054 54.840 0.043 0.000 0.769 199 L CB -0.313 41.773 42.059 0.047 0.000 0.908 199 L HN -0.050 nan 8.230 nan 0.000 0.438 200 R N -0.452 120.059 120.500 0.019 0.000 2.148 200 R HA -0.095 4.245 4.340 0.000 0.000 0.227 200 R C 1.157 177.466 176.300 0.015 0.000 1.103 200 R CA 0.838 56.947 56.100 0.014 0.000 0.983 200 R CB -0.177 30.131 30.300 0.013 0.000 0.874 200 R HN 0.291 nan 8.270 nan 0.000 0.451 201 K N 0.686 121.097 120.400 0.018 0.000 2.570 201 K HA 0.152 4.472 4.320 0.000 0.000 0.210 201 K C 1.111 177.723 176.600 0.019 0.000 1.048 201 K CA -0.162 56.136 56.287 0.018 0.000 1.167 201 K CB 0.426 32.937 32.500 0.018 0.000 0.892 201 K HN 0.088 nan 8.250 nan 0.000 0.480 202 L N -0.315 120.919 121.223 0.018 0.000 2.072 202 L HA -0.061 4.279 4.340 0.000 0.000 0.205 202 L C 2.345 179.224 176.870 0.014 0.000 1.079 202 L CA 1.312 56.162 54.840 0.017 0.000 0.752 202 L CB -0.362 41.704 42.059 0.013 0.000 0.906 202 L HN 0.375 nan 8.230 nan 0.000 0.436 203 G N -0.129 108.678 108.800 0.011 0.000 2.498 203 G HA2 -0.263 3.697 3.960 0.000 0.000 0.219 203 G HA3 -0.263 3.697 3.960 0.000 0.000 0.219 203 G C 1.411 176.323 174.900 0.019 0.000 1.119 203 G CA 0.717 45.822 45.100 0.008 0.000 0.766 203 G HN 0.619 nan 8.290 nan 0.000 0.552 204 Q N -0.136 119.681 119.800 0.029 0.000 2.389 204 Q HA 0.462 4.802 4.340 0.000 0.000 0.204 204 Q C 1.332 177.388 176.000 0.095 0.000 0.944 204 Q CA 0.420 56.252 55.803 0.047 0.000 0.908 204 Q CB -0.095 28.669 28.738 0.042 0.000 1.002 204 Q HN 0.283 nan 8.270 nan 0.000 0.493 205 A N 0.995 123.862 122.820 0.079 0.000 2.445 205 A HA 0.095 4.415 4.320 0.000 0.000 0.242 205 A C -0.180 177.524 177.584 0.200 0.000 1.075 205 A CA -0.281 51.819 52.037 0.106 0.000 0.777 205 A CB 0.250 19.248 19.000 -0.003 0.000 1.013 205 A HN 0.354 nan 8.150 nan 0.000 0.493 206 H N 0.409 119.515 119.070 0.061 0.000 2.395 206 H HA 0.185 4.741 4.556 0.000 0.000 0.299 206 H C 0.229 175.715 175.328 0.264 0.000 1.070 206 H CA 2.098 58.245 56.048 0.165 0.000 1.356 206 H CB -0.163 29.751 29.762 0.252 0.000 1.401 206 H HN 0.681 nan 8.280 nan 0.000 0.524 207 F N -2.610 117.434 119.950 0.156 0.000 2.779 207 F HA 0.527 5.054 4.527 0.000 0.000 0.316 207 F C -1.463 174.404 175.800 0.112 0.000 1.164 207 F CA -1.456 56.610 58.000 0.110 0.000 0.924 207 F CB 1.350 40.401 39.000 0.083 0.000 1.348 207 F HN -0.362 nan 8.300 nan 0.000 0.467 208 N N 0.822 119.630 118.700 0.179 0.000 2.342 208 N HA 0.491 5.231 4.740 0.000 0.000 0.293 208 N C -1.577 174.070 175.510 0.228 0.000 1.026 208 N CA -0.548 52.546 53.050 0.074 0.000 0.857 208 N CB 2.676 41.255 38.487 0.153 0.000 1.256 208 N HN 0.537 nan 8.380 nan 0.000 0.484 209 V N 3.326 123.297 119.914 0.095 0.000 2.368 209 V HA 0.262 4.382 4.120 0.000 0.000 0.266 209 V C 0.767 176.951 176.094 0.150 0.000 1.045 209 V CA -0.503 61.935 62.300 0.229 0.000 0.899 209 V CB 0.855 32.811 31.823 0.221 0.000 1.006 209 V HN 0.473 nan 8.190 nan 0.000 0.470 213 P HA -0.210 nan 4.420 nan 0.000 0.216 213 P C 1.282 178.663 177.300 0.135 0.000 1.150 213 P CA 1.986 65.163 63.100 0.128 0.000 0.843 213 P CB 0.422 32.191 31.700 0.115 0.000 0.787 214 E N -0.662 119.635 120.200 0.161 0.000 2.209 214 E HA -0.138 4.212 4.350 0.000 0.000 0.196 214 E C 1.185 177.863 176.600 0.130 0.000 0.993 214 E CA 1.977 58.459 56.400 0.138 0.000 0.819 214 E CB -1.444 28.337 29.700 0.134 0.000 0.745 214 E HN 0.387 nan 8.360 nan 0.000 0.477 215 T N -4.253 110.392 114.554 0.151 0.000 3.111 215 T HA 0.469 4.819 4.350 0.000 0.000 0.284 215 T C 1.260 176.050 174.700 0.149 0.000 0.983 215 T CA 0.098 62.271 62.100 0.122 0.000 0.900 215 T CB 0.754 69.684 68.868 0.103 0.000 1.132 215 T HN 0.200 nan 8.240 nan 0.000 0.531 216 G N 0.848 109.747 108.800 0.166 0.000 2.797 216 G HA2 0.182 4.142 3.960 0.000 0.000 0.209 216 G HA3 0.182 4.142 3.960 0.000 0.000 0.209 216 G C 0.966 175.919 174.900 0.087 0.000 1.080 216 G CA 0.349 45.578 45.100 0.215 0.000 0.897 216 G HN 0.437 nan 8.290 nan 0.000 0.641 217 E N 0.855 121.071 120.200 0.026 0.000 2.058 217 E HA -0.158 4.192 4.350 0.000 0.000 0.194 217 E C 2.417 178.933 176.600 -0.140 0.000 0.997 217 E CA 1.595 57.941 56.400 -0.091 0.000 0.801 217 E CB -0.131 29.573 29.700 0.006 0.000 0.746 217 E HN 0.265 nan 8.360 nan 0.000 0.450 218 S N -0.756 114.916 115.700 -0.047 0.000 2.368 218 S HA -0.173 4.297 4.470 0.000 0.000 0.225 218 S C 1.918 176.461 174.600 -0.096 0.000 1.030 218 S CA 1.186 59.354 58.200 -0.053 0.000 0.999 218 S CB -0.341 62.835 63.200 -0.039 0.000 0.844 218 S HN 0.482 nan 8.310 nan 0.000 0.459 219 A N 1.063 123.811 122.820 -0.120 0.000 1.930 219 A HA 0.174 4.494 4.320 0.000 0.000 0.217 219 A C 2.366 179.841 177.584 -0.182 0.000 1.175 219 A CA 1.767 53.668 52.037 -0.226 0.000 0.627 219 A CB -1.159 17.530 19.000 -0.519 0.000 0.815 219 A HN 0.632 nan 8.150 nan 0.000 0.443 220 A N -0.004 122.662 122.820 -0.257 0.000 1.902 220 A HA -0.175 4.145 4.320 0.000 0.000 0.217 220 A C 2.235 179.559 177.584 -0.433 0.000 1.181 220 A CA 1.495 53.257 52.037 -0.459 0.000 0.623 220 A CB -0.487 17.938 19.000 -0.960 0.000 0.818 220 A HN 0.553 nan 8.150 nan 0.000 0.443 221 R N -1.652 118.627 120.500 -0.368 0.000 2.096 221 R HA -0.181 4.159 4.340 0.000 0.000 0.235 221 R C 2.238 178.543 176.300 0.008 0.000 1.127 221 R CA 1.675 57.725 56.100 -0.083 0.000 0.968 221 R CB -0.577 29.715 30.300 -0.013 0.000 0.861 221 R HN 0.817 nan 8.270 nan 0.000 0.440 222 H N 0.938 119.951 119.070 -0.096 0.000 2.321 222 H HA -0.019 4.538 4.556 0.000 0.000 0.300 222 H C 1.852 177.149 175.328 -0.052 0.000 1.087 222 H CA 1.485 57.490 56.048 -0.072 0.000 1.319 222 H CB -0.134 29.562 29.762 -0.110 0.000 1.379 222 H HN 0.049 nan 8.280 nan 0.000 0.501 223 L N 0.090 121.246 121.223 -0.111 0.000 2.376 223 L HA -0.067 4.273 4.340 0.000 0.000 0.219 223 L C 2.475 179.307 176.870 -0.063 0.000 1.133 223 L CA 1.259 56.026 54.840 -0.121 0.000 0.816 223 L CB -0.278 41.757 42.059 -0.040 0.000 0.933 223 L HN 0.469 nan 8.230 nan 0.000 0.449 224 E N 0.363 120.564 120.200 0.001 0.000 2.072 224 E HA -0.194 4.156 4.350 0.000 0.000 0.190 224 E C 2.279 178.878 176.600 -0.001 0.000 0.982 224 E CA 0.805 57.251 56.400 0.075 0.000 0.803 224 E CB 0.221 30.050 29.700 0.215 0.000 0.755 224 E HN 0.339 nan 8.360 nan 0.000 0.453 225 R N 0.084 120.547 120.500 -0.062 0.000 2.070 225 R HA -0.045 4.295 4.340 0.000 0.000 0.227 225 R C 2.453 178.667 176.300 -0.142 0.000 1.147 225 R CA 1.431 57.476 56.100 -0.092 0.000 0.924 225 R CB -0.431 29.810 30.300 -0.099 0.000 0.827 225 R HN 0.183 nan 8.270 nan 0.000 0.431 226 A N -0.005 122.643 122.820 -0.288 0.000 1.902 226 A HA -0.160 4.160 4.320 0.000 0.000 0.217 226 A C 1.836 179.340 177.584 -0.134 0.000 1.181 226 A CA 1.566 53.449 52.037 -0.257 0.000 0.623 226 A CB -0.310 18.421 19.000 -0.449 0.000 0.818 226 A HN 0.565 nan 8.150 nan 0.000 0.443 227 C N -1.225 118.008 119.300 -0.113 0.000 3.125 227 C HA 0.349 4.809 4.460 0.000 0.000 0.284 227 C C 0.364 175.338 174.990 -0.028 0.000 1.386 227 C CA -0.362 58.623 59.018 -0.055 0.000 1.763 227 C CB -0.324 27.393 27.740 -0.038 0.000 2.377 227 C HN 0.607 nan 8.230 nan 0.000 0.620 228 K N 0.298 120.682 120.400 -0.027 0.000 3.130 228 K HA -0.238 4.082 4.320 0.000 0.000 0.282 228 K C -0.441 176.177 176.600 0.029 0.000 1.145 228 K CA 1.025 57.310 56.287 -0.003 0.000 0.831 228 K CB -2.089 30.402 32.500 -0.014 0.000 1.226 228 K HN 0.728 nan 8.250 nan 0.000 0.478 229 Q N 1.602 121.435 119.800 0.054 0.000 2.314 229 Q HA 0.259 4.600 4.340 0.000 0.000 0.257 229 Q C -2.096 174.011 176.000 0.177 0.000 0.975 229 Q CA -1.772 54.100 55.803 0.116 0.000 0.933 229 Q CB 1.053 29.859 28.738 0.113 0.000 1.195 229 Q HN 0.059 nan 8.270 nan 0.000 0.426 230 P HA 0.148 nan 4.420 nan 0.000 0.276 230 P C -1.120 176.354 177.300 0.290 0.000 1.244 230 P CA -0.351 62.849 63.100 0.166 0.000 0.801 230 P CB 0.522 32.244 31.700 0.037 0.000 1.006 231 F N -1.886 118.132 119.950 0.114 0.000 2.546 231 F HA 0.603 5.130 4.527 0.000 0.000 0.320 231 F C 0.206 176.085 175.800 0.132 0.000 1.076 231 F CA -1.175 56.915 58.000 0.149 0.000 0.928 231 F CB 0.600 39.669 39.000 0.114 0.000 1.189 231 F HN 0.227 nan 8.300 nan 0.000 0.465 232 T N -0.402 114.321 114.554 0.283 0.000 2.902 232 T HA 0.206 4.556 4.350 0.000 0.000 0.301 232 T C 0.218 175.016 174.700 0.163 0.000 1.012 232 T CA -0.558 61.649 62.100 0.177 0.000 1.151 232 T CB 0.965 70.038 68.868 0.343 0.000 0.946 232 T HN 0.826 nan 8.240 nan 0.000 0.542 233 K N 1.941 122.364 120.400 0.038 0.000 2.358 233 K HA 0.419 4.739 4.320 0.000 0.000 0.197 233 K C -0.049 176.603 176.600 0.086 0.000 1.025 233 K CA 0.038 56.353 56.287 0.046 0.000 1.104 233 K CB 0.328 32.791 32.500 -0.062 0.000 0.855 233 K HN 0.671 nan 8.250 nan 0.000 0.531 234 I N 1.173 121.822 120.570 0.132 0.000 2.404 234 I HA 0.203 4.373 4.170 0.000 0.000 0.293 234 I C -0.702 175.477 176.117 0.103 0.000 0.992 234 I CA -1.224 60.153 61.300 0.128 0.000 1.149 234 I CB 2.015 40.104 38.000 0.148 0.000 1.315 234 I HN -0.313 nan 8.210 nan 0.000 0.446 235 V N 7.950 127.854 119.914 -0.017 0.000 2.364 235 V HA 0.234 4.354 4.120 0.000 0.000 0.272 235 V C -2.041 173.930 176.094 -0.206 0.000 1.036 235 V CA -1.509 60.693 62.300 -0.163 0.000 0.880 235 V CB 0.895 32.619 31.823 -0.164 0.000 0.991 235 V HN 0.594 nan 8.190 nan 0.000 0.460 236 P HA 0.299 nan 4.420 nan 0.000 0.231 236 P C -0.408 176.737 177.300 -0.258 0.000 1.756 236 P CA 0.328 63.203 63.100 -0.376 0.000 0.990 236 P CB -0.362 30.871 31.700 -0.779 0.000 1.973 237 I N 0.899 121.374 120.570 -0.158 0.000 2.355 237 I HA 0.616 4.786 4.170 0.000 0.000 0.288 237 I C 0.692 176.790 176.117 -0.031 0.000 0.999 237 I CA -0.095 61.148 61.300 -0.095 0.000 1.163 237 I CB 1.331 39.283 38.000 -0.079 0.000 1.316 237 I HN 0.260 nan 8.210 nan 0.000 0.454 238 G N 3.533 112.318 108.800 -0.025 0.000 2.650 238 G HA2 -0.103 3.857 3.960 0.000 0.000 0.686 238 G HA3 -0.103 3.857 3.960 0.000 0.000 0.686 238 G C 0.113 175.044 174.900 0.053 0.000 1.205 238 G CA -0.631 44.475 45.100 0.010 0.000 0.781 238 G HN 0.341 nan 8.290 nan 0.000 0.648 239 V N 1.715 121.685 119.914 0.092 0.000 2.295 239 V HA -0.012 4.108 4.120 0.000 0.000 0.246 239 V C 3.152 179.343 176.094 0.161 0.000 1.049 239 V CA 3.362 65.769 62.300 0.180 0.000 1.024 239 V CB -1.142 30.759 31.823 0.130 0.000 0.648 239 V HN 1.527 nan 8.190 nan 0.000 0.447 240 G N -0.493 108.370 108.800 0.105 0.000 2.418 240 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 240 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 240 G C 1.746 176.699 174.900 0.089 0.000 1.158 240 G CA 1.013 46.168 45.100 0.092 0.000 0.771 240 G HN 0.609 nan 8.290 nan 0.000 0.545 241 A N 0.205 123.069 122.820 0.074 0.000 1.930 241 A HA 0.039 4.359 4.320 0.000 0.000 0.217 241 A C 2.516 180.148 177.584 0.080 0.000 1.175 241 A CA 2.313 54.388 52.037 0.064 0.000 0.627 241 A CB -0.819 18.200 19.000 0.032 0.000 0.815 241 A HN 0.285 nan 8.150 nan 0.000 0.443 242 T N -0.082 114.505 114.554 0.055 0.000 2.708 242 T HA -0.153 4.197 4.350 0.000 0.000 0.266 242 T C 2.070 176.861 174.700 0.151 0.000 1.037 242 T CA 1.517 63.642 62.100 0.042 0.000 1.146 242 T CB -0.252 68.552 68.868 -0.107 0.000 0.865 242 T HN 0.494 nan 8.240 nan 0.000 0.435 243 R N 1.034 121.630 120.500 0.161 0.000 2.073 243 R HA -0.096 4.244 4.340 0.000 0.000 0.234 243 R C 2.184 178.544 176.300 0.100 0.000 1.134 243 R CA 1.619 57.807 56.100 0.147 0.000 0.952 243 R CB -0.501 29.883 30.300 0.141 0.000 0.850 243 R HN 0.385 nan 8.270 nan 0.000 0.433 244 D N 0.365 120.823 120.400 0.097 0.000 2.149 244 D HA -0.176 4.464 4.640 0.000 0.000 0.198 244 D C 1.523 177.871 176.300 0.079 0.000 0.990 244 D CA 0.939 54.980 54.000 0.069 0.000 0.839 244 D CB -0.335 40.504 40.800 0.066 0.000 0.948 244 D HN 0.110 nan 8.370 nan 0.000 0.460 245 F N 1.237 121.171 119.950 -0.026 0.000 2.075 245 F HA -0.145 4.383 4.527 0.000 0.000 0.297 245 F C 2.014 177.791 175.800 -0.039 0.000 1.113 245 F CA 1.307 59.285 58.000 -0.037 0.000 1.218 245 F CB -0.404 38.565 39.000 -0.052 0.000 0.984 245 F HN -0.106 nan 8.300 nan 0.000 0.472 246 L N 0.148 121.298 121.223 -0.121 0.000 2.046 246 L HA -0.198 4.142 4.340 0.000 0.000 0.208 246 L C 2.854 179.596 176.870 -0.213 0.000 1.077 246 L CA 1.150 55.851 54.840 -0.232 0.000 0.747 246 L CB -1.344 40.705 42.059 -0.016 0.000 0.896 246 L HN 0.306 nan 8.230 nan 0.000 0.432 247 A N -0.115 122.636 122.820 -0.115 0.000 1.883 247 A HA -0.291 4.029 4.320 0.000 0.000 0.217 247 A C 2.296 179.784 177.584 -0.160 0.000 1.186 247 A CA 2.091 54.066 52.037 -0.104 0.000 0.624 247 A CB -0.594 18.376 19.000 -0.051 0.000 0.822 247 A HN 0.498 nan 8.150 nan 0.000 0.444 248 E N -0.307 119.778 120.200 -0.192 0.000 2.077 248 E HA -0.142 4.208 4.350 0.000 0.000 0.193 248 E C 1.891 178.300 176.600 -0.319 0.000 0.989 248 E CA 1.500 57.771 56.400 -0.216 0.000 0.800 248 E CB -0.132 29.463 29.700 -0.175 0.000 0.746 248 E HN 0.327 nan 8.360 nan 0.000 0.452 249 V N 0.677 120.313 119.914 -0.463 0.000 2.407 249 V HA -0.243 3.877 4.120 0.000 0.000 0.248 249 V C 2.489 178.332 176.094 -0.419 0.000 1.055 249 V CA 1.758 63.724 62.300 -0.556 0.000 1.049 249 V CB -0.504 30.941 31.823 -0.630 0.000 0.662 249 V HN 0.312 nan 8.190 nan 0.000 0.455 250 S N -0.356 115.173 115.700 -0.286 0.000 2.359 250 S HA -0.298 4.172 4.470 0.000 0.000 0.223 250 S C 2.263 176.752 174.600 -0.184 0.000 1.039 250 S CA 2.040 60.123 58.200 -0.195 0.000 1.042 250 S CB -0.320 62.799 63.200 -0.135 0.000 0.915 250 S HN 0.479 nan 8.310 nan 0.000 0.439 251 K N 0.921 121.212 120.400 -0.182 0.000 2.063 251 K HA -0.039 4.281 4.320 0.000 0.000 0.208 251 K C 2.087 178.581 176.600 -0.176 0.000 1.048 251 K CA 1.685 57.881 56.287 -0.152 0.000 0.928 251 K CB -0.650 31.769 32.500 -0.135 0.000 0.713 251 K HN 0.569 nan 8.250 nan 0.000 0.442 252 I N 0.739 121.154 120.570 -0.258 0.000 2.315 252 I HA -0.227 3.943 4.170 0.000 0.000 0.248 252 I C 2.187 178.149 176.117 -0.259 0.000 1.117 252 I CA 1.737 62.864 61.300 -0.289 0.000 1.404 252 I CB -0.347 37.380 38.000 -0.455 0.000 1.071 252 I HN 0.280 nan 8.210 nan 0.000 0.419 253 T N -3.120 111.260 114.554 -0.289 0.000 3.034 253 T HA 0.313 4.663 4.350 0.000 0.000 0.248 253 T C 1.678 176.326 174.700 -0.088 0.000 1.040 253 T CA 0.604 62.600 62.100 -0.174 0.000 1.107 253 T CB 0.685 69.432 68.868 -0.203 0.000 0.932 253 T HN 0.449 nan 8.240 nan 0.000 0.474 254 G N 1.452 110.190 108.800 -0.103 0.000 2.195 254 G HA2 -0.195 3.765 3.960 0.000 0.000 0.246 254 G HA3 -0.195 3.765 3.960 0.000 0.000 0.246 254 G C -0.031 174.834 174.900 -0.058 0.000 0.984 254 G CA 0.096 45.156 45.100 -0.067 0.000 0.633 254 G HN 0.629 nan 8.290 nan 0.000 0.525 255 L N 2.718 123.900 121.223 -0.068 0.000 2.417 255 L HA 0.441 4.781 4.340 0.000 0.000 0.268 255 L C -1.205 175.630 176.870 -0.058 0.000 1.158 255 L CA -1.900 52.908 54.840 -0.053 0.000 0.819 255 L CB 0.592 42.622 42.059 -0.049 0.000 1.112 255 L HN 0.025 nan 8.230 nan 0.000 0.458 256 P HA 0.098 nan 4.420 nan 0.000 0.277 256 P C -0.770 176.511 177.300 -0.031 0.000 1.240 256 P CA -0.417 62.662 63.100 -0.034 0.000 0.798 256 P CB 1.261 32.948 31.700 -0.021 0.000 0.979 257 V N 0.736 120.633 119.914 -0.027 0.000 2.508 257 V HA 0.320 4.440 4.120 0.000 0.000 0.281 257 V C -0.298 175.803 176.094 0.011 0.000 1.041 257 V CA -0.228 62.064 62.300 -0.013 0.000 1.016 257 V CB 0.588 32.406 31.823 -0.008 0.000 0.984 257 V HN 0.217 nan 8.190 nan 0.000 0.478 258 V N 5.734 125.662 119.914 0.023 0.000 2.444 258 V HA 0.648 4.768 4.120 0.000 0.000 0.294 258 V C 0.412 176.549 176.094 0.072 0.000 1.022 258 V CA 0.214 62.536 62.300 0.038 0.000 0.850 258 V CB 1.959 33.797 31.823 0.026 0.000 0.992 258 V HN 1.201 nan 8.190 nan 0.000 0.426 259 T N 0.078 114.691 114.554 0.099 0.000 2.912 259 T HA 0.622 4.973 4.350 0.000 0.000 0.288 259 T C -1.003 173.779 174.700 0.137 0.000 1.030 259 T CA -0.747 61.460 62.100 0.178 0.000 1.020 259 T CB 2.244 71.278 68.868 0.276 0.000 1.056 259 T HN 0.512 nan 8.240 nan 0.000 0.480 260 D N 0.495 121.004 120.400 0.181 0.000 2.381 260 D HA 0.262 4.902 4.640 0.000 0.000 0.235 260 D C 0.128 176.489 176.300 0.102 0.000 1.068 260 D CA -0.594 53.472 54.000 0.111 0.000 0.832 260 D CB 1.260 42.117 40.800 0.096 0.000 1.101 260 D HN 0.705 nan 8.370 nan 0.000 0.515 261 E N 1.455 121.637 120.200 -0.031 0.000 2.624 261 E HA 0.022 4.372 4.350 0.000 0.000 0.210 261 E C 1.226 177.751 176.600 -0.126 0.000 0.997 261 E CA 0.017 56.303 56.400 -0.191 0.000 0.999 261 E CB 0.493 30.004 29.700 -0.314 0.000 1.040 261 E HN 0.425 nan 8.360 nan 0.000 0.469 262 S N 0.129 115.798 115.700 -0.052 0.000 2.469 262 S HA -0.124 4.346 4.470 0.000 0.000 0.238 262 S C 1.823 176.398 174.600 -0.040 0.000 0.998 262 S CA 1.415 59.591 58.200 -0.041 0.000 0.957 262 S CB -0.031 63.158 63.200 -0.018 0.000 0.764 262 S HN 0.186 nan 8.310 nan 0.000 0.514 263 T N -0.008 114.520 114.554 -0.043 0.000 3.043 263 T HA 0.362 4.712 4.350 0.000 0.000 0.272 263 T C 0.147 174.801 174.700 -0.076 0.000 0.990 263 T CA -0.526 61.550 62.100 -0.041 0.000 0.897 263 T CB -0.269 68.596 68.868 -0.006 0.000 1.111 263 T HN 0.392 nan 8.240 nan 0.000 0.529 264 L N 2.796 123.942 121.223 -0.127 0.000 2.485 264 L HA 0.405 4.745 4.340 0.000 0.000 0.279 264 L C 0.865 177.642 176.870 -0.154 0.000 1.124 264 L CA 0.161 54.885 54.840 -0.193 0.000 0.888 264 L CB 0.290 42.079 42.059 -0.449 0.000 1.217 264 L HN 0.265 nan 8.230 nan 0.000 0.464 265 R N 1.602 121.985 120.500 -0.195 0.000 2.394 265 R HA -0.004 4.336 4.340 0.000 0.000 0.220 265 R C 1.648 177.827 176.300 -0.201 0.000 0.887 265 R CA -0.176 55.793 56.100 -0.219 0.000 1.034 265 R CB 0.310 30.263 30.300 -0.579 0.000 1.179 265 R HN 0.676 nan 8.270 nan 0.000 0.561 266 Q N 1.903 121.549 119.800 -0.257 0.000 2.112 266 Q HA -0.121 4.219 4.340 0.000 0.000 0.206 266 Q C -1.053 174.846 176.000 -0.168 0.000 0.987 266 Q CA 1.797 57.430 55.803 -0.284 0.000 0.858 266 Q CB -0.647 27.995 28.738 -0.159 0.000 0.905 266 Q HN 0.158 nan 8.270 nan 0.000 0.420 267 P HA -0.175 nan 4.420 nan 0.000 0.216 267 P C 1.131 178.494 177.300 0.106 0.000 1.153 267 P CA 1.276 64.390 63.100 0.023 0.000 0.848 267 P CB -0.765 30.958 31.700 0.038 0.000 0.787 268 W N -0.831 120.481 121.300 0.019 0.000 2.381 268 W HA -0.144 4.517 4.660 0.000 0.000 0.301 268 W C 1.788 178.337 176.519 0.050 0.000 1.205 268 W CA 0.670 58.051 57.345 0.060 0.000 1.285 268 W CB -0.852 28.682 29.460 0.125 0.000 1.133 268 W HN -0.002 nan 8.180 nan 0.000 0.521 269 W N 1.315 122.294 121.300 -0.536 0.000 2.315 269 W HA -0.303 4.357 4.660 0.000 0.000 0.323 269 W C 2.873 178.959 176.519 -0.721 0.000 1.233 269 W CA 2.241 59.115 57.345 -0.785 0.000 1.267 269 W CB -1.033 27.800 29.460 -1.046 0.000 1.160 269 W HN -0.001 nan 8.180 nan 0.000 0.474 270 S N -0.130 115.327 115.700 -0.405 0.000 2.453 270 S HA 0.003 4.473 4.470 0.000 0.000 0.231 270 S C 1.709 176.233 174.600 -0.126 0.000 1.005 270 S CA 0.969 59.122 58.200 -0.079 0.000 0.949 270 S CB -0.488 62.796 63.200 0.140 0.000 0.774 270 S HN 0.171 nan 8.310 nan 0.000 0.510 271 A N 1.995 124.685 122.820 -0.216 0.000 2.072 271 A HA 0.276 4.596 4.320 0.000 0.000 0.216 271 A C 1.514 178.872 177.584 -0.377 0.000 1.156 271 A CA 0.558 52.486 52.037 -0.182 0.000 0.701 271 A CB -0.752 18.243 19.000 -0.009 0.000 0.816 271 A HN 0.688 nan 8.150 nan 0.000 0.458 272 S N -0.797 114.445 115.700 -0.764 0.000 2.584 272 S HA 0.237 4.707 4.470 0.000 0.000 0.270 272 S C 1.057 175.431 174.600 -0.375 0.000 1.346 272 S CA -0.019 57.657 58.200 -0.872 0.000 1.018 272 S CB 1.168 63.606 63.200 -1.270 0.000 0.899 272 S HN 0.209 nan 8.310 nan 0.000 0.542 273 V N 1.969 121.733 119.914 -0.250 0.000 2.594 273 V HA -0.173 3.947 4.120 0.000 0.000 0.253 273 V C 1.783 177.853 176.094 -0.039 0.000 1.069 273 V CA 2.353 64.595 62.300 -0.097 0.000 1.082 273 V CB -1.242 30.549 31.823 -0.052 0.000 0.680 273 V HN 0.929 nan 8.190 nan 0.000 0.469 274 D N -0.355 120.000 120.400 -0.076 0.000 2.182 274 D HA -0.140 4.500 4.640 0.000 0.000 0.201 274 D C 2.093 178.510 176.300 0.195 0.000 0.986 274 D CA 1.447 55.462 54.000 0.025 0.000 0.847 274 D CB -0.389 40.387 40.800 -0.040 0.000 0.942 274 D HN 0.404 nan 8.370 nan 0.000 0.467 275 S N -0.554 115.203 115.700 0.096 0.000 2.603 275 S HA -0.009 4.461 4.470 0.000 0.000 0.220 275 S C 1.735 176.378 174.600 0.072 0.000 0.967 275 S CA 0.343 58.618 58.200 0.125 0.000 0.920 275 S CB -0.119 63.141 63.200 0.100 0.000 0.773 275 S HN 0.294 nan 8.310 nan 0.000 0.529 276 T N 1.654 116.279 114.554 0.119 0.000 2.833 276 T HA -0.137 4.213 4.350 0.000 0.000 0.269 276 T C 1.566 176.342 174.700 0.126 0.000 1.054 276 T CA 1.261 63.417 62.100 0.092 0.000 1.135 276 T CB -0.449 68.466 68.868 0.078 0.000 0.869 276 T HN 0.840 nan 8.240 nan 0.000 0.466 277 Y N 0.756 121.086 120.300 0.049 0.000 2.574 277 Y HA 0.238 4.788 4.550 0.000 0.000 0.294 277 Y C 1.641 177.601 175.900 0.099 0.000 1.142 277 Y CA 0.242 58.379 58.100 0.062 0.000 1.314 277 Y CB -0.788 37.704 38.460 0.052 0.000 0.991 277 Y HN 0.112 nan 8.280 nan 0.000 0.555 278 L N 0.550 121.501 121.223 -0.454 0.000 2.478 278 L HA 0.015 4.355 4.340 0.000 0.000 0.223 278 L C 0.536 177.422 176.870 0.027 0.000 1.140 278 L CA 0.225 54.891 54.840 -0.289 0.000 0.842 278 L CB -0.532 41.377 42.059 -0.251 0.000 0.953 278 L HN 0.171 nan 8.230 nan 0.000 0.452 279 T N 0.182 114.745 114.554 0.015 0.000 2.870 279 T HA 0.335 4.685 4.350 0.000 0.000 0.300 279 T C 1.145 175.900 174.700 0.092 0.000 0.989 279 T CA 0.658 62.796 62.100 0.063 0.000 1.139 279 T CB 1.217 70.112 68.868 0.046 0.000 0.920 279 T HN 0.509 nan 8.240 nan 0.000 0.537 280 G N 2.998 111.871 108.800 0.123 0.000 2.205 280 G HA2 -0.262 3.698 3.960 0.000 0.000 0.261 280 G HA3 -0.262 3.698 3.960 0.000 0.000 0.261 280 G C 0.192 175.141 174.900 0.081 0.000 0.980 280 G CA -0.020 45.137 45.100 0.096 0.000 0.632 280 G HN 0.670 nan 8.290 nan 0.000 0.533 281 K N 1.042 121.506 120.400 0.106 0.000 2.451 281 K HA 0.307 4.627 4.320 0.000 0.000 0.280 281 K C 0.762 177.274 176.600 -0.148 0.000 1.020 281 K CA 0.012 56.273 56.287 -0.044 0.000 1.008 281 K CB 0.261 32.682 32.500 -0.132 0.000 0.917 281 K HN 0.355 nan 8.250 nan 0.000 0.478 282 R N 1.985 122.393 120.500 -0.153 0.000 2.234 282 R HA 0.242 4.582 4.340 0.000 0.000 0.324 282 R C -0.629 175.553 176.300 -0.197 0.000 1.054 282 R CA -0.523 55.506 56.100 -0.118 0.000 0.912 282 R CB 1.214 31.478 30.300 -0.061 0.000 1.030 282 R HN 0.229 nan 8.270 nan 0.000 0.455 283 V N 5.135 124.945 119.914 -0.173 0.000 2.604 283 V HA 0.498 4.618 4.120 0.000 0.000 0.305 283 V C -1.449 174.609 176.094 -0.059 0.000 1.043 283 V CA -0.861 61.318 62.300 -0.203 0.000 0.888 283 V CB 1.606 33.239 31.823 -0.317 0.000 0.995 283 V HN 0.660 nan 8.190 nan 0.000 0.429 284 F N 7.032 126.875 119.950 -0.178 0.000 2.444 284 F HA 0.725 5.252 4.527 0.000 0.000 0.342 284 F C -0.435 175.294 175.800 -0.118 0.000 1.121 284 F CA -0.594 57.332 58.000 -0.124 0.000 0.997 284 F CB 1.267 40.202 39.000 -0.108 0.000 1.130 284 F HN 0.390 nan 8.300 nan 0.000 0.454 285 I N 7.056 127.305 120.570 -0.535 0.000 2.433 285 I HA 0.444 4.614 4.170 0.000 0.000 0.292 285 I C -1.260 174.705 176.117 -0.252 0.000 1.001 285 I CA -0.719 60.391 61.300 -0.316 0.000 1.119 285 I CB 1.874 39.695 38.000 -0.298 0.000 1.289 285 I HN 0.566 nan 8.210 nan 0.000 0.438 286 F N 3.825 123.650 119.950 -0.208 0.000 2.631 286 F HA 0.829 5.356 4.527 0.000 0.000 0.308 286 F C 0.119 175.884 175.800 -0.059 0.000 1.097 286 F CA 0.092 58.020 58.000 -0.120 0.000 0.952 286 F CB 2.238 41.266 39.000 0.046 0.000 1.307 286 F HN 0.600 nan 8.300 nan 0.000 0.450 287 G N 2.760 111.143 108.800 -0.695 0.000 2.441 287 G HA2 0.222 4.182 3.960 0.000 0.000 0.222 287 G HA3 0.222 4.182 3.960 0.000 0.000 0.222 287 G C -1.992 172.462 174.900 -0.743 0.000 1.254 287 G CA -0.319 44.560 45.100 -0.368 0.000 0.959 287 G HN 0.803 nan 8.290 nan 0.000 0.474 288 D N 0.488 120.573 120.400 -0.525 0.000 2.329 288 D HA 0.481 5.121 4.640 0.000 0.000 0.246 288 D C 1.624 177.728 176.300 -0.326 0.000 1.111 288 D CA 0.618 54.239 54.000 -0.631 0.000 0.941 288 D CB 0.848 41.474 40.800 -0.291 0.000 1.169 288 D HN 0.882 nan 8.370 nan 0.000 0.441 289 G N 0.469 109.097 108.800 -0.287 0.000 2.476 289 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 289 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 289 G C 1.406 176.269 174.900 -0.061 0.000 1.164 289 G CA 1.460 46.459 45.100 -0.168 0.000 0.768 289 G HN 0.591 nan 8.290 nan 0.000 0.560 290 T N 0.412 114.973 114.554 0.011 0.000 2.635 290 T HA -0.146 4.204 4.350 0.000 0.000 0.267 290 T C 2.137 176.822 174.700 -0.024 0.000 1.040 290 T CA 1.914 64.020 62.100 0.009 0.000 1.156 290 T CB -0.347 68.550 68.868 0.047 0.000 0.863 290 T HN 0.513 nan 8.240 nan 0.000 0.430 291 H N -0.156 118.928 119.070 0.024 0.000 2.428 291 H HA 0.127 4.683 4.556 0.000 0.000 0.296 291 H C 2.246 177.582 175.328 0.012 0.000 1.062 291 H CA 0.704 56.788 56.048 0.060 0.000 1.350 291 H CB -0.452 29.363 29.762 0.088 0.000 1.403 291 H HN 0.136 nan 8.280 nan 0.000 0.533 292 V N 0.605 120.535 119.914 0.027 0.000 2.307 292 V HA -0.219 3.902 4.120 0.000 0.000 0.245 292 V C 2.269 178.332 176.094 -0.053 0.000 1.045 292 V CA 1.762 64.019 62.300 -0.072 0.000 1.024 292 V CB -0.487 31.221 31.823 -0.192 0.000 0.651 292 V HN 0.360 nan 8.190 nan 0.000 0.449 293 I N 0.505 121.055 120.570 -0.033 0.000 2.179 293 I HA -0.248 3.922 4.170 0.000 0.000 0.242 293 I C 2.670 178.816 176.117 0.048 0.000 1.088 293 I CA 1.585 62.887 61.300 0.003 0.000 1.357 293 I CB -0.609 37.401 38.000 0.017 0.000 1.051 293 I HN 0.285 nan 8.210 nan 0.000 0.409 294 A N 0.750 123.598 122.820 0.047 0.000 1.855 294 A HA -0.147 4.173 4.320 0.000 0.000 0.215 294 A C 2.571 180.250 177.584 0.159 0.000 1.191 294 A CA 1.818 53.901 52.037 0.075 0.000 0.613 294 A CB -1.019 17.995 19.000 0.023 0.000 0.829 294 A HN 0.412 nan 8.150 nan 0.000 0.442 295 A N -0.114 122.832 122.820 0.210 0.000 1.948 295 A HA 0.063 4.383 4.320 0.000 0.000 0.220 295 A C 2.481 180.226 177.584 0.269 0.000 1.177 295 A CA 2.374 54.639 52.037 0.380 0.000 0.636 295 A CB -1.018 18.131 19.000 0.247 0.000 0.815 295 A HN 1.131 nan 8.150 nan 0.000 0.449 296 A N -0.512 122.347 122.820 0.065 0.000 1.930 296 A HA -0.142 4.178 4.320 0.000 0.000 0.217 296 A C 2.242 179.902 177.584 0.127 0.000 1.175 296 A CA 1.692 53.684 52.037 -0.075 0.000 0.627 296 A CB -0.460 18.284 19.000 -0.428 0.000 0.815 296 A HN 0.593 nan 8.150 nan 0.000 0.443 297 R N -0.193 120.446 120.500 0.233 0.000 2.066 297 R HA -0.054 4.286 4.340 0.000 0.000 0.232 297 R C 1.920 178.351 176.300 0.219 0.000 1.131 297 R CA 1.593 57.860 56.100 0.279 0.000 0.955 297 R CB -0.422 30.003 30.300 0.207 0.000 0.851 297 R HN 0.510 nan 8.270 nan 0.000 0.432 298 I N 1.189 121.889 120.570 0.215 0.000 2.118 298 I HA -0.312 3.859 4.170 0.000 0.000 0.241 298 I C 2.668 178.923 176.117 0.231 0.000 1.070 298 I CA 1.573 62.984 61.300 0.186 0.000 1.327 298 I CB -0.528 37.553 38.000 0.135 0.000 1.034 298 I HN 0.319 nan 8.210 nan 0.000 0.405 299 A N 0.593 123.645 122.820 0.386 0.000 1.892 299 A HA -0.249 4.071 4.320 0.000 0.000 0.218 299 A C 2.474 180.177 177.584 0.199 0.000 1.188 299 A CA 2.492 54.744 52.037 0.358 0.000 0.631 299 A CB -0.972 18.266 19.000 0.395 0.000 0.822 299 A HN 0.490 nan 8.150 nan 0.000 0.447 300 A N -1.376 121.582 122.820 0.230 0.000 1.878 300 A HA 0.038 4.358 4.320 0.000 0.000 0.213 300 A C 2.005 179.673 177.584 0.139 0.000 1.192 300 A CA 1.383 53.553 52.037 0.221 0.000 0.619 300 A CB -0.090 19.128 19.000 0.363 0.000 0.837 300 A HN 0.368 nan 8.150 nan 0.000 0.446 301 K N -0.653 119.826 120.400 0.132 0.000 2.354 301 K HA 0.179 4.499 4.320 0.000 0.000 0.194 301 K C 0.795 177.431 176.600 0.061 0.000 1.038 301 K CA 0.544 56.882 56.287 0.086 0.000 1.052 301 K CB 0.674 33.225 32.500 0.085 0.000 0.861 301 K HN 0.598 nan 8.250 nan 0.000 0.535 302 E N 0.035 120.268 120.200 0.056 0.000 2.391 302 E HA 0.049 4.399 4.350 0.000 0.000 0.206 302 E C 1.404 178.011 176.600 0.012 0.000 0.851 302 E CA 0.164 56.586 56.400 0.038 0.000 1.059 302 E CB 0.853 30.580 29.700 0.044 0.000 1.065 302 E HN -0.119 nan 8.360 nan 0.000 0.512 303 V N -0.479 119.400 119.914 -0.059 0.000 3.523 303 V HA 0.223 4.343 4.120 0.000 0.000 0.255 303 V C 1.262 177.186 176.094 -0.283 0.000 1.226 303 V CA 0.818 62.995 62.300 -0.204 0.000 1.092 303 V CB 0.913 32.446 31.823 -0.483 0.000 0.817 303 V HN 0.444 nan 8.190 nan 0.000 0.458 304 G N 0.436 109.140 108.800 -0.161 0.000 2.132 304 G HA2 -0.231 3.729 3.960 0.000 0.000 0.234 304 G HA3 -0.231 3.729 3.960 0.000 0.000 0.234 304 G C -0.115 174.820 174.900 0.058 0.000 0.989 304 G CA -0.249 44.827 45.100 -0.040 0.000 0.676 304 G HN 0.245 nan 8.290 nan 0.000 0.522 305 F N 0.771 120.758 119.950 0.061 0.000 2.440 305 F HA 0.502 5.029 4.527 0.000 0.000 0.323 305 F C 1.057 176.885 175.800 0.047 0.000 1.192 305 F CA -1.149 56.872 58.000 0.034 0.000 1.252 305 F CB 0.652 39.670 39.000 0.030 0.000 1.214 305 F HN 0.177 nan 8.300 nan 0.000 0.578 306 E N 1.083 121.426 120.200 0.238 0.000 2.109 306 E HA 0.387 4.737 4.350 0.000 0.000 0.278 306 E C -1.434 175.223 176.600 0.095 0.000 0.954 306 E CA -0.511 55.976 56.400 0.145 0.000 0.779 306 E CB 1.087 30.844 29.700 0.094 0.000 1.093 306 E HN 0.348 nan 8.360 nan 0.000 0.401 307 V N 5.591 125.559 119.914 0.090 0.000 2.439 307 V HA 0.006 4.126 4.120 0.000 0.000 0.271 307 V C 0.825 176.911 176.094 -0.013 0.000 1.040 307 V CA -0.002 62.287 62.300 -0.020 0.000 1.002 307 V CB 1.104 32.826 31.823 -0.168 0.000 1.000 307 V HN 0.667 nan 8.190 nan 0.000 0.477 308 V N 4.035 123.935 119.914 -0.023 0.000 3.645 308 V HA 0.590 4.710 4.120 0.000 0.000 0.275 308 V C 0.860 176.985 176.094 0.051 0.000 1.356 308 V CA 1.203 63.520 62.300 0.028 0.000 1.051 308 V CB 0.481 32.331 31.823 0.045 0.000 0.828 308 V HN 0.971 nan 8.190 nan 0.000 0.441 312 C N -1.034 117.995 119.300 -0.451 0.000 3.173 312 C HA 0.759 5.219 4.460 0.000 0.000 0.310 312 C C 0.757 175.403 174.990 -0.572 0.000 1.306 312 C CA -0.781 57.694 59.018 -0.905 0.000 1.426 312 C CB 0.466 27.835 27.740 -0.618 0.000 1.800 312 C HN 1.399 nan 8.230 nan 0.000 0.470 313 Y N -0.103 119.860 120.300 -0.561 0.000 2.482 313 Y HA 0.342 4.892 4.550 0.000 0.000 0.270 313 Y C 0.790 176.642 175.900 -0.081 0.000 1.152 313 Y CA 0.219 58.195 58.100 -0.207 0.000 1.292 313 Y CB -0.416 37.843 38.460 -0.336 0.000 1.070 313 Y HN 0.652 nan 8.280 nan 0.000 0.528 314 N N 2.137 120.626 118.700 -0.351 0.000 2.767 314 N HA 0.118 4.858 4.740 0.000 0.000 0.238 314 N C 0.855 176.322 175.510 -0.071 0.000 1.083 314 N CA -0.175 52.758 53.050 -0.194 0.000 0.964 314 N CB 0.266 38.490 38.487 -0.439 0.000 1.252 314 N HN 0.324 nan 8.380 nan 0.000 0.512 315 R N 1.318 121.831 120.500 0.021 0.000 2.127 315 R HA -0.118 4.223 4.340 0.000 0.000 0.238 315 R C 0.037 176.354 176.300 0.027 0.000 1.134 315 R CA 1.242 57.358 56.100 0.027 0.000 0.975 315 R CB 0.134 30.464 30.300 0.050 0.000 0.865 315 R HN 0.552 nan 8.270 nan 0.000 0.447 319 R N 0.654 121.163 120.500 0.015 0.000 2.057 319 R HA 0.016 4.356 4.340 0.000 0.000 0.229 319 R C -0.896 175.416 176.300 0.021 0.000 1.136 319 R CA 1.920 58.033 56.100 0.021 0.000 0.952 319 R CB -1.778 28.539 30.300 0.029 0.000 0.848 319 R HN 0.387 nan 8.270 nan 0.000 0.430 320 P HA -0.147 nan 4.420 nan 0.000 0.216 320 P C 1.516 178.827 177.300 0.019 0.000 1.150 320 P CA 0.889 64.004 63.100 0.025 0.000 0.843 320 P CB -0.047 31.669 31.700 0.027 0.000 0.787 321 L N -0.358 120.865 121.223 -0.000 0.000 2.005 321 L HA -0.072 4.268 4.340 0.000 0.000 0.207 321 L C 2.413 179.287 176.870 0.006 0.000 1.072 321 L CA 1.783 56.615 54.840 -0.014 0.000 0.744 321 L CB -1.054 40.970 42.059 -0.059 0.000 0.895 321 L HN -0.212 nan 8.230 nan 0.000 0.433 322 R N -1.259 119.246 120.500 0.009 0.000 2.103 322 R HA -0.182 4.158 4.340 0.000 0.000 0.242 322 R C 2.060 178.381 176.300 0.035 0.000 1.142 322 R CA 2.007 58.120 56.100 0.021 0.000 0.960 322 R CB -0.835 29.478 30.300 0.021 0.000 0.858 322 R HN 0.430 nan 8.270 nan 0.000 0.439 323 T N 0.649 115.224 114.554 0.034 0.000 2.708 323 T HA -0.131 4.219 4.350 0.000 0.000 0.266 323 T C 1.899 176.634 174.700 0.058 0.000 1.037 323 T CA 1.467 63.590 62.100 0.039 0.000 1.146 323 T CB -0.223 68.664 68.868 0.032 0.000 0.865 323 T HN 0.406 nan 8.240 nan 0.000 0.435 324 A N 1.365 124.230 122.820 0.075 0.000 1.902 324 A HA 0.179 4.499 4.320 0.000 0.000 0.217 324 A C 2.624 180.352 177.584 0.240 0.000 1.181 324 A CA 1.794 53.915 52.037 0.140 0.000 0.623 324 A CB -1.064 18.018 19.000 0.137 0.000 0.818 324 A HN 0.501 nan 8.150 nan 0.000 0.443 325 A N -0.104 122.810 122.820 0.157 0.000 1.933 325 A HA 0.161 4.481 4.320 0.000 0.000 0.218 325 A C 2.468 180.162 177.584 0.183 0.000 1.175 325 A CA 1.963 54.101 52.037 0.169 0.000 0.628 325 A CB -0.949 18.081 19.000 0.049 0.000 0.814 325 A HN 1.063 nan 8.150 nan 0.000 0.444 326 A N -0.043 122.843 122.820 0.109 0.000 1.908 326 A HA -0.226 4.094 4.320 0.000 0.000 0.218 326 A C 1.872 179.487 177.584 0.053 0.000 1.181 326 A CA 1.759 53.837 52.037 0.069 0.000 0.627 326 A CB -0.597 18.427 19.000 0.041 0.000 0.818 326 A HN 0.647 nan 8.150 nan 0.000 0.445 327 E N -1.425 118.791 120.200 0.027 0.000 2.130 327 E HA -0.225 4.125 4.350 0.000 0.000 0.196 327 E C 1.138 177.626 176.600 -0.188 0.000 0.998 327 E CA 1.607 57.937 56.400 -0.115 0.000 0.806 327 E CB -0.282 29.279 29.700 -0.231 0.000 0.738 327 E HN 0.874 nan 8.360 nan 0.000 0.459 328 Y N -0.550 119.756 120.300 0.010 0.000 2.461 328 Y HA 0.227 4.777 4.550 0.000 0.000 0.277 328 Y C 1.432 177.340 175.900 0.012 0.000 1.182 328 Y CA 0.302 58.410 58.100 0.013 0.000 1.276 328 Y CB 0.495 38.961 38.460 0.010 0.000 1.087 328 Y HN 0.039 nan 8.280 nan 0.000 0.519 329 G N 0.677 109.550 108.800 0.121 0.000 2.249 329 G HA2 -0.271 3.689 3.960 0.000 0.000 0.273 329 G HA3 -0.271 3.689 3.960 0.000 0.000 0.273 329 G C -0.545 174.405 174.900 0.083 0.000 1.036 329 G CA -0.035 45.112 45.100 0.080 0.000 0.824 329 G HN 0.143 nan 8.290 nan 0.000 0.504 330 L N -0.732 120.550 121.223 0.098 0.000 2.333 330 L HA 0.791 5.131 4.340 0.000 0.000 0.269 330 L C 0.132 177.033 176.870 0.051 0.000 1.010 330 L CA -1.642 53.237 54.840 0.065 0.000 0.818 330 L CB 1.857 43.942 42.059 0.044 0.000 1.306 330 L HN 0.202 nan 8.230 nan 0.000 0.430 331 E N 1.249 121.473 120.200 0.040 0.000 2.167 331 E HA 0.598 4.948 4.350 0.000 0.000 0.284 331 E C -0.665 175.952 176.600 0.028 0.000 1.016 331 E CA -0.428 55.994 56.400 0.036 0.000 0.817 331 E CB 1.291 31.013 29.700 0.037 0.000 1.080 331 E HN 0.622 nan 8.360 nan 0.000 0.397 332 A N 5.262 128.096 122.820 0.022 0.000 2.488 332 A HA 0.184 4.504 4.320 0.000 0.000 0.249 332 A C -0.182 177.426 177.584 0.039 0.000 1.083 332 A CA -0.340 51.703 52.037 0.010 0.000 0.768 332 A CB 0.128 19.127 19.000 -0.001 0.000 1.017 332 A HN 0.753 nan 8.150 nan 0.000 0.496 333 L N 4.761 126.022 121.223 0.065 0.000 2.295 333 L HA 0.245 4.585 4.340 0.000 0.000 0.288 333 L C -0.925 176.036 176.870 0.151 0.000 1.079 333 L CA -0.404 54.512 54.840 0.126 0.000 0.830 333 L CB 0.209 42.388 42.059 0.200 0.000 1.200 333 L HN 0.502 nan 8.230 nan 0.000 0.438 334 I N 4.418 125.055 120.570 0.112 0.000 2.330 334 I HA 0.357 4.527 4.170 0.000 0.000 0.286 334 I C 0.205 176.405 176.117 0.139 0.000 1.025 334 I CA -0.041 61.319 61.300 0.101 0.000 1.197 334 I CB 0.950 38.981 38.000 0.051 0.000 1.358 334 I HN 0.458 nan 8.210 nan 0.000 0.467 335 T N 4.010 118.692 114.554 0.213 0.000 2.942 335 T HA 0.267 4.617 4.350 0.000 0.000 0.327 335 T C -0.144 174.741 174.700 0.308 0.000 1.360 335 T CA -0.527 61.705 62.100 0.220 0.000 1.055 335 T CB 1.432 70.405 68.868 0.175 0.000 1.261 335 T HN 0.657 nan 8.240 nan 0.000 0.485 336 D N 1.461 122.032 120.400 0.286 0.000 2.363 336 D HA 0.176 4.816 4.640 0.000 0.000 0.214 336 D C 0.015 176.609 176.300 0.489 0.000 1.093 336 D CA -0.143 54.095 54.000 0.397 0.000 0.837 336 D CB 0.336 41.316 40.800 0.300 0.000 0.948 336 D HN 0.354 nan 8.370 nan 0.000 0.507 337 D N 0.619 121.230 120.400 0.352 0.000 2.427 337 D HA 0.034 4.674 4.640 0.000 0.000 0.226 337 D C 1.110 177.544 176.300 0.224 0.000 1.076 337 D CA -0.905 53.244 54.000 0.247 0.000 0.849 337 D CB 0.284 41.133 40.800 0.081 0.000 1.052 337 D HN 0.154 nan 8.370 nan 0.000 0.515 338 Y N 3.111 123.592 120.300 0.300 0.000 2.241 338 Y HA -0.169 4.381 4.550 0.000 0.000 0.286 338 Y C 1.417 177.314 175.900 -0.005 0.000 1.166 338 Y CA 1.007 59.199 58.100 0.152 0.000 1.203 338 Y CB -0.586 37.863 38.460 -0.018 0.000 0.977 338 Y HN 0.345 nan 8.280 nan 0.000 0.529 339 L N 0.246 121.010 121.223 -0.766 0.000 2.131 339 L HA -0.150 4.190 4.340 0.000 0.000 0.210 339 L C 2.653 179.370 176.870 -0.255 0.000 1.092 339 L CA 1.335 55.844 54.840 -0.551 0.000 0.759 339 L CB -0.531 41.196 42.059 -0.553 0.000 0.903 339 L HN 0.253 nan 8.230 nan 0.000 0.435 340 E N 0.000 120.097 120.200 -0.172 0.000 2.047 340 E HA -0.150 4.200 4.350 0.000 0.000 0.191 340 E C 2.389 178.911 176.600 -0.130 0.000 0.987 340 E CA 1.162 57.500 56.400 -0.104 0.000 0.799 340 E CB -0.298 29.381 29.700 -0.035 0.000 0.752 340 E HN 0.289 nan 8.360 nan 0.000 0.449 341 V N 1.550 121.359 119.914 -0.175 0.000 2.252 341 V HA -0.290 3.830 4.120 0.000 0.000 0.249 341 V C 2.483 178.402 176.094 -0.292 0.000 1.056 341 V CA 2.267 64.393 62.300 -0.290 0.000 1.022 341 V CB -0.582 30.974 31.823 -0.445 0.000 0.641 341 V HN 0.305 nan 8.190 nan 0.000 0.445 342 E N -0.046 120.023 120.200 -0.219 0.000 2.085 342 E HA -0.278 4.072 4.350 0.000 0.000 0.194 342 E C 2.314 178.779 176.600 -0.224 0.000 0.994 342 E CA 1.604 57.877 56.400 -0.212 0.000 0.801 342 E CB -0.054 29.563 29.700 -0.138 0.000 0.743 342 E HN 0.585 nan 8.360 nan 0.000 0.453 343 K N -0.144 120.144 120.400 -0.186 0.000 2.026 343 K HA -0.131 4.189 4.320 0.000 0.000 0.208 343 K C 2.164 178.660 176.600 -0.173 0.000 1.048 343 K CA 1.108 57.303 56.287 -0.153 0.000 0.929 343 K CB -0.173 32.260 32.500 -0.111 0.000 0.713 343 K HN 0.116 nan 8.250 nan 0.000 0.439 344 A N 1.443 124.151 122.820 -0.186 0.000 1.908 344 A HA -0.182 4.138 4.320 0.000 0.000 0.218 344 A C 2.125 179.467 177.584 -0.403 0.000 1.181 344 A CA 1.417 53.352 52.037 -0.170 0.000 0.627 344 A CB -0.659 18.341 19.000 0.001 0.000 0.818 344 A HN 0.203 nan 8.150 nan 0.000 0.445 345 I N -0.819 119.319 120.570 -0.720 0.000 2.127 345 I HA -0.285 3.885 4.170 0.000 0.000 0.241 345 I C 2.584 178.458 176.117 -0.405 0.000 1.075 345 I CA 1.860 62.663 61.300 -0.830 0.000 1.334 345 I CB -0.413 37.125 38.000 -0.769 0.000 1.040 345 I HN 0.431 nan 8.210 nan 0.000 0.405 346 E N 0.600 120.627 120.200 -0.287 0.000 2.085 346 E HA -0.232 4.118 4.350 0.000 0.000 0.194 346 E C 2.179 178.694 176.600 -0.142 0.000 0.994 346 E CA 1.390 57.679 56.400 -0.184 0.000 0.801 346 E CB -0.147 29.464 29.700 -0.148 0.000 0.743 346 E HN 0.517 nan 8.360 nan 0.000 0.453 347 A N 0.208 122.948 122.820 -0.133 0.000 2.119 347 A HA 0.082 4.402 4.320 0.000 0.000 0.217 347 A C 2.006 179.554 177.584 -0.061 0.000 1.153 347 A CA 1.297 53.286 52.037 -0.081 0.000 0.692 347 A CB -0.062 18.903 19.000 -0.059 0.000 0.799 347 A HN 0.275 nan 8.150 nan 0.000 0.458 348 A N -1.543 121.226 122.820 -0.085 0.000 2.288 348 A HA 0.581 4.901 4.320 0.000 0.000 0.216 348 A C 1.325 178.877 177.584 -0.052 0.000 1.199 348 A CA 0.886 52.904 52.037 -0.032 0.000 0.891 348 A CB -0.612 18.418 19.000 0.049 0.000 0.923 348 A HN 1.773 nan 8.150 nan 0.000 0.500 349 A N 1.008 123.770 122.820 -0.095 0.000 2.103 349 A HA -0.071 4.249 4.320 0.000 0.000 0.269 349 A C -1.623 175.910 177.584 -0.084 0.000 1.346 349 A CA 0.647 52.627 52.037 -0.096 0.000 0.755 349 A CB -1.569 17.385 19.000 -0.076 0.000 1.146 349 A HN 0.470 nan 8.150 nan 0.000 0.330 350 P HA 0.272 nan 4.420 nan 0.000 0.274 350 P C 0.422 177.655 177.300 -0.113 0.000 1.256 350 P CA -0.158 62.894 63.100 -0.080 0.000 0.795 350 P CB 0.651 32.325 31.700 -0.043 0.000 1.038 351 E N -0.890 119.226 120.200 -0.140 0.000 2.460 351 E HA 0.173 4.523 4.350 0.000 0.000 0.200 351 E C -0.067 176.420 176.600 -0.188 0.000 1.011 351 E CA 0.045 56.352 56.400 -0.154 0.000 0.912 351 E CB 0.251 29.858 29.700 -0.154 0.000 0.953 351 E HN 0.130 nan 8.360 nan 0.000 0.494 352 L N 0.924 122.009 121.223 -0.229 0.000 2.455 352 L HA 0.468 4.808 4.340 0.000 0.000 0.264 352 L C -1.747 175.012 176.870 -0.186 0.000 0.968 352 L CA -1.196 53.497 54.840 -0.246 0.000 0.827 352 L CB 1.935 43.746 42.059 -0.413 0.000 1.317 352 L HN -0.041 nan 8.230 nan 0.000 0.407 353 I N 4.406 124.892 120.570 -0.140 0.000 2.433 353 I HA 0.618 4.788 4.170 0.000 0.000 0.292 353 I C -1.815 174.231 176.117 -0.118 0.000 1.001 353 I CA -0.302 60.956 61.300 -0.069 0.000 1.119 353 I CB 1.538 39.525 38.000 -0.022 0.000 1.289 353 I HN 0.532 nan 8.210 nan 0.000 0.438 354 L N 8.033 129.176 121.223 -0.133 0.000 2.313 354 L HA 0.940 5.281 4.340 0.000 0.000 0.283 354 L C 0.448 177.283 176.870 -0.058 0.000 1.013 354 L CA -0.191 54.519 54.840 -0.217 0.000 0.816 354 L CB 1.088 42.878 42.059 -0.449 0.000 1.236 354 L HN 0.981 nan 8.230 nan 0.000 0.419 355 G N 1.698 110.481 108.800 -0.028 0.000 2.512 355 G HA2 0.239 4.199 3.960 0.000 0.000 0.186 355 G HA3 0.239 4.199 3.960 0.000 0.000 0.186 355 G C -1.053 173.868 174.900 0.035 0.000 1.189 355 G CA -0.254 44.888 45.100 0.070 0.000 0.994 355 G HN 0.329 nan 8.290 nan 0.000 0.506 356 T N 0.713 115.353 114.554 0.143 0.000 2.862 356 T HA 0.467 4.818 4.350 0.000 0.000 0.276 356 T C 0.548 175.266 174.700 0.029 0.000 0.974 356 T CA -0.238 61.941 62.100 0.131 0.000 0.966 356 T CB 1.242 70.358 68.868 0.413 0.000 1.072 356 T HN 0.527 nan 8.240 nan 0.000 0.538 360 R N 1.140 121.570 120.500 -0.117 0.000 2.096 360 R HA -0.013 4.327 4.340 0.000 0.000 0.240 360 R C 1.400 177.613 176.300 -0.146 0.000 1.139 360 R CA 1.516 57.545 56.100 -0.118 0.000 0.952 360 R CB -0.261 29.966 30.300 -0.122 0.000 0.854 360 R HN 0.239 nan 8.270 nan 0.000 0.436 361 N N 0.430 119.009 118.700 -0.202 0.000 2.171 361 N HA -0.077 4.663 4.740 0.000 0.000 0.184 361 N C 2.059 177.466 175.510 -0.172 0.000 1.021 361 N CA 0.931 53.860 53.050 -0.203 0.000 0.854 361 N CB -0.114 38.212 38.487 -0.269 0.000 0.994 361 N HN 0.184 nan 8.380 nan 0.000 0.426 362 I N 1.738 122.200 120.570 -0.180 0.000 2.163 362 I HA -0.277 3.893 4.170 0.000 0.000 0.243 362 I C 2.537 178.575 176.117 -0.131 0.000 1.085 362 I CA 1.163 62.376 61.300 -0.145 0.000 1.347 362 I CB -0.361 37.550 38.000 -0.147 0.000 1.044 362 I HN 0.058 nan 8.210 nan 0.000 0.408 363 A N 0.719 123.462 122.820 -0.127 0.000 1.865 363 A HA -0.224 4.096 4.320 0.000 0.000 0.217 363 A C 2.355 179.880 177.584 -0.098 0.000 1.191 363 A CA 1.637 53.607 52.037 -0.113 0.000 0.623 363 A CB -0.474 18.466 19.000 -0.100 0.000 0.826 363 A HN 0.243 nan 8.150 nan 0.000 0.444 364 K N 0.025 120.368 120.400 -0.095 0.000 2.044 364 K HA -0.166 4.154 4.320 0.000 0.000 0.210 364 K C 1.994 178.548 176.600 -0.077 0.000 1.049 364 K CA 1.624 57.863 56.287 -0.080 0.000 0.927 364 K CB -0.365 32.087 32.500 -0.081 0.000 0.713 364 K HN 0.487 nan 8.250 nan 0.000 0.443 365 K N 0.690 121.039 120.400 -0.086 0.000 2.063 365 K HA -0.097 4.223 4.320 0.000 0.000 0.208 365 K C 2.101 178.656 176.600 -0.074 0.000 1.048 365 K CA 1.077 57.318 56.287 -0.076 0.000 0.928 365 K CB -0.157 32.295 32.500 -0.080 0.000 0.713 365 K HN 0.129 nan 8.250 nan 0.000 0.442 366 L N -0.075 121.097 121.223 -0.085 0.000 2.599 366 L HA 0.075 4.415 4.340 0.000 0.000 0.230 366 L C 0.986 177.810 176.870 -0.078 0.000 1.141 366 L CA 0.257 55.045 54.840 -0.086 0.000 0.877 366 L CB -0.186 41.810 42.059 -0.106 0.000 1.009 366 L HN 0.343 nan 8.230 nan 0.000 0.447 367 G N 1.101 109.858 108.800 -0.071 0.000 2.273 367 G HA2 -0.280 3.680 3.960 0.000 0.000 0.280 367 G HA3 -0.280 3.680 3.960 0.000 0.000 0.280 367 G C 0.029 174.886 174.900 -0.071 0.000 1.047 367 G CA 0.059 45.122 45.100 -0.063 0.000 0.869 367 G HN 0.266 nan 8.290 nan 0.000 0.502 368 L N -0.196 120.977 121.223 -0.083 0.000 2.322 368 L HA 0.459 4.799 4.340 0.000 0.000 0.279 368 L C -1.742 175.078 176.870 -0.082 0.000 1.036 368 L CA -2.446 52.340 54.840 -0.091 0.000 0.807 368 L CB 1.413 43.407 42.059 -0.109 0.000 1.226 368 L HN -0.126 nan 8.230 nan 0.000 0.433 369 P HA 0.023 nan 4.420 nan 0.000 0.267 369 P C -0.849 176.404 177.300 -0.079 0.000 1.200 369 P CA -0.219 62.840 63.100 -0.069 0.000 0.772 369 P CB 0.597 32.254 31.700 -0.072 0.000 0.855 370 C N 2.533 121.800 119.300 -0.055 0.000 3.090 370 C HA 0.803 5.263 4.460 0.000 0.000 0.347 370 C C -1.298 173.677 174.990 -0.024 0.000 1.147 370 C CA -0.044 58.936 59.018 -0.062 0.000 1.305 370 C CB 0.642 28.344 27.740 -0.062 0.000 1.692 370 C HN 0.720 nan 8.230 nan 0.000 0.506 371 A N 3.779 126.569 122.820 -0.049 0.000 2.454 371 A HA 0.849 5.169 4.320 0.000 0.000 0.302 371 A C -1.204 176.379 177.584 -0.003 0.000 1.079 371 A CA -0.417 51.632 52.037 0.019 0.000 0.731 371 A CB 1.439 20.478 19.000 0.064 0.000 1.299 371 A HN 1.150 nan 8.150 nan 0.000 0.413 372 V N 2.093 122.055 119.914 0.079 0.000 2.465 372 V HA 0.357 4.477 4.120 0.000 0.000 0.279 372 V C 0.748 176.900 176.094 0.096 0.000 1.045 372 V CA 0.357 62.679 62.300 0.037 0.000 0.938 372 V CB 0.954 32.806 31.823 0.049 0.000 0.986 372 V HN 0.857 nan 8.190 nan 0.000 0.467 373 I N 0.951 121.483 120.570 -0.063 0.000 4.439 373 I HA 0.524 4.694 4.170 0.000 0.000 0.331 373 I C 0.425 176.338 176.117 -0.341 0.000 1.345 373 I CA 0.131 61.467 61.300 0.060 0.000 1.193 373 I CB 0.918 39.008 38.000 0.151 0.000 1.221 373 I HN 0.507 nan 8.210 nan 0.000 0.429 374 S N 0.968 116.177 115.700 -0.819 0.000 2.547 374 S HA 0.798 5.268 4.470 0.000 0.000 0.270 374 S C -0.584 173.584 174.600 -0.720 0.000 1.150 374 S CA -0.125 57.558 58.200 -0.861 0.000 0.850 374 S CB 1.596 64.596 63.200 -0.334 0.000 1.118 374 S HN 0.440 nan 8.310 nan 0.000 0.461 375 A N 3.718 126.258 122.820 -0.467 0.000 2.406 375 A HA 0.663 4.983 4.320 0.000 0.000 0.243 375 A C -2.444 175.211 177.584 0.118 0.000 1.082 375 A CA -1.079 50.896 52.037 -0.103 0.000 0.786 375 A CB -0.453 18.560 19.000 0.021 0.000 1.029 375 A HN 0.636 nan 8.150 nan 0.000 0.495 376 P HA 0.390 nan 4.420 nan 0.000 0.275 376 P C -0.857 176.537 177.300 0.156 0.000 1.228 376 P CA -0.068 63.108 63.100 0.126 0.000 0.786 376 P CB 1.182 32.945 31.700 0.106 0.000 0.927 377 V N 2.677 122.704 119.914 0.188 0.000 2.841 377 V HA 0.243 4.363 4.120 0.000 0.000 0.310 377 V C 0.431 176.710 176.094 0.308 0.000 1.090 377 V CA -0.658 61.787 62.300 0.242 0.000 0.930 377 V CB 1.910 33.906 31.823 0.289 0.000 1.014 377 V HN 0.813 nan 8.190 nan 0.000 0.425 378 H N 3.312 122.472 119.070 0.151 0.000 2.309 378 H HA 0.302 4.859 4.556 0.000 0.000 0.341 378 H C 1.344 176.763 175.328 0.152 0.000 1.677 378 H CA 0.536 56.654 56.048 0.116 0.000 1.440 378 H CB 0.906 30.714 29.762 0.076 0.000 1.693 378 H HN 0.352 nan 8.280 nan 0.000 0.608 379 V N 0.787 120.395 119.914 -0.510 0.000 2.287 379 V HA -0.297 3.823 4.120 0.000 0.000 0.248 379 V C 2.855 178.862 176.094 -0.145 0.000 1.053 379 V CA 3.023 65.135 62.300 -0.313 0.000 1.027 379 V CB -0.976 30.660 31.823 -0.312 0.000 0.646 379 V HN 0.898 nan 8.190 nan 0.000 0.447 380 Q N -0.852 118.777 119.800 -0.285 0.000 2.152 380 Q HA -0.284 4.056 4.340 0.000 0.000 0.206 380 Q C 1.489 177.577 176.000 0.147 0.000 0.985 380 Q CA 2.363 58.196 55.803 0.050 0.000 0.863 380 Q CB -0.677 28.208 28.738 0.245 0.000 0.904 380 Q HN 0.677 nan 8.270 nan 0.000 0.422 381 D N -0.324 120.219 120.400 0.239 0.000 2.338 381 D HA 0.019 4.659 4.640 0.000 0.000 0.239 381 D C -0.705 175.607 176.300 0.020 0.000 1.095 381 D CA 0.303 54.424 54.000 0.201 0.000 0.888 381 D CB -0.006 41.015 40.800 0.369 0.000 0.899 381 D HN 0.196 nan 8.370 nan 0.000 0.525 382 F N 1.631 121.594 119.950 0.021 0.000 2.334 382 F HA 0.280 4.807 4.527 0.000 0.000 0.343 382 F C -2.064 173.720 175.800 -0.027 0.000 1.136 382 F CA -1.982 56.003 58.000 -0.025 0.000 1.237 382 F CB 1.134 40.112 39.000 -0.036 0.000 1.525 382 F HN -0.211 nan 8.300 nan 0.000 0.528 383 P HA 0.309 nan 4.420 nan 0.000 0.281 383 P C 0.383 177.708 177.300 0.041 0.000 1.249 383 P CA -0.300 62.819 63.100 0.031 0.000 0.810 383 P CB 1.528 33.220 31.700 -0.013 0.000 1.008 384 A N 2.902 125.750 122.820 0.046 0.000 1.930 384 A HA -0.113 4.207 4.320 0.000 0.000 0.217 384 A C 1.210 178.826 177.584 0.053 0.000 1.175 384 A CA 1.059 53.125 52.037 0.048 0.000 0.627 384 A CB -0.787 18.238 19.000 0.041 0.000 0.815 384 A HN 0.706 nan 8.150 nan 0.000 0.443 385 R N -1.964 118.565 120.500 0.048 0.000 2.707 385 R HA 0.274 4.614 4.340 0.000 0.000 0.270 385 R C -0.310 176.047 176.300 0.095 0.000 1.083 385 R CA -0.462 55.679 56.100 0.069 0.000 1.182 385 R CB 0.025 30.358 30.300 0.054 0.000 1.084 385 R HN 0.295 nan 8.270 nan 0.000 0.528 386 Y N 0.618 120.905 120.300 -0.022 0.000 2.569 386 Y HA 0.261 4.811 4.550 0.000 0.000 0.332 386 Y C -0.184 175.689 175.900 -0.046 0.000 1.120 386 Y CA 0.441 58.521 58.100 -0.032 0.000 1.416 386 Y CB 0.680 39.124 38.460 -0.026 0.000 1.210 386 Y HN 0.793 nan 8.280 nan 0.000 0.528 387 A N 8.295 130.865 122.820 -0.417 0.000 3.106 387 A HA 0.320 4.640 4.320 0.000 0.000 0.227 387 A C -2.864 174.466 177.584 -0.423 0.000 0.920 387 A CA -1.074 50.759 52.037 -0.340 0.000 1.088 387 A CB -0.292 18.576 19.000 -0.220 0.000 1.233 387 A HN 0.537 nan 8.150 nan 0.000 0.503 388 P HA 0.237 nan 4.420 nan 0.000 0.272 388 P C -0.576 176.581 177.300 -0.238 0.000 1.240 388 P CA 0.273 63.134 63.100 -0.400 0.000 0.791 388 P CB 0.844 32.281 31.700 -0.439 0.000 0.978 392 F N 0.321 120.254 119.950 -0.029 0.000 2.234 392 F HA 0.194 4.721 4.527 0.000 0.000 0.296 392 F C 2.520 178.291 175.800 -0.048 0.000 1.089 392 F CA 1.394 59.374 58.000 -0.034 0.000 1.343 392 F CB -0.245 38.745 39.000 -0.017 0.000 1.040 392 F HN 0.480 nan 8.300 nan 0.000 0.498 393 E N 0.421 120.703 120.200 0.137 0.000 2.152 393 E HA -0.039 4.311 4.350 0.000 0.000 0.192 393 E C 2.515 179.103 176.600 -0.021 0.000 0.983 393 E CA 1.202 57.645 56.400 0.070 0.000 0.818 393 E CB -0.778 29.017 29.700 0.157 0.000 0.758 393 E HN 0.256 nan 8.360 nan 0.000 0.467 394 G N 0.551 109.318 108.800 -0.055 0.000 2.446 394 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 394 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 394 G C 1.722 176.573 174.900 -0.082 0.000 1.168 394 G CA 1.314 46.358 45.100 -0.093 0.000 0.771 394 G HN 0.450 nan 8.290 nan 0.000 0.551 395 A N 1.299 124.097 122.820 -0.038 0.000 1.883 395 A HA -0.134 4.186 4.320 0.000 0.000 0.217 395 A C 2.317 179.855 177.584 -0.077 0.000 1.186 395 A CA 2.032 54.040 52.037 -0.049 0.000 0.624 395 A CB -0.504 18.517 19.000 0.035 0.000 0.822 395 A HN 0.369 nan 8.150 nan 0.000 0.444 396 N N 0.220 118.872 118.700 -0.081 0.000 2.084 396 N HA -0.129 4.612 4.740 0.000 0.000 0.190 396 N C 1.740 177.197 175.510 -0.088 0.000 1.030 396 N CA 1.658 54.625 53.050 -0.138 0.000 0.849 396 N CB -0.774 37.610 38.487 -0.171 0.000 1.012 396 N HN 0.265 nan 8.380 nan 0.000 0.423 397 V N 1.865 121.730 119.914 -0.081 0.000 2.287 397 V HA -0.181 3.939 4.120 0.000 0.000 0.248 397 V C 2.433 178.477 176.094 -0.085 0.000 1.053 397 V CA 1.267 63.526 62.300 -0.068 0.000 1.027 397 V CB -0.587 31.183 31.823 -0.089 0.000 0.646 397 V HN 0.232 nan 8.190 nan 0.000 0.447 398 L N -1.493 119.622 121.223 -0.179 0.000 2.083 398 L HA -0.192 4.148 4.340 0.000 0.000 0.209 398 L C 2.322 178.857 176.870 -0.559 0.000 1.083 398 L CA 1.732 56.297 54.840 -0.459 0.000 0.752 398 L CB -0.549 41.139 42.059 -0.619 0.000 0.899 398 L HN 0.332 nan 8.230 nan 0.000 0.433 399 F N 1.165 120.889 119.950 -0.377 0.000 2.060 399 F HA -0.250 4.277 4.527 0.000 0.000 0.295 399 F C 2.305 178.089 175.800 -0.026 0.000 1.120 399 F CA 1.806 59.677 58.000 -0.215 0.000 1.205 399 F CB -0.143 38.772 39.000 -0.142 0.000 0.986 399 F HN 0.089 nan 8.300 nan 0.000 0.470 400 D N -0.339 120.187 120.400 0.210 0.000 2.116 400 D HA -0.190 4.450 4.640 0.000 0.000 0.193 400 D C 2.250 178.646 176.300 0.160 0.000 0.998 400 D CA 2.190 56.308 54.000 0.198 0.000 0.836 400 D CB -0.841 40.038 40.800 0.132 0.000 0.951 400 D HN 0.302 nan 8.370 nan 0.000 0.449 401 T N -0.129 114.504 114.554 0.132 0.000 2.821 401 T HA -0.142 4.208 4.350 0.000 0.000 0.267 401 T C 1.588 176.528 174.700 0.400 0.000 1.046 401 T CA 0.846 63.088 62.100 0.237 0.000 1.139 401 T CB -0.180 68.837 68.868 0.249 0.000 0.871 401 T HN 0.225 nan 8.240 nan 0.000 0.454 402 W N 0.703 122.032 121.300 0.049 0.000 2.494 402 W HA 0.220 4.880 4.660 0.000 0.000 0.286 402 W C 2.297 178.836 176.519 0.033 0.000 1.218 402 W CA -0.719 56.656 57.345 0.049 0.000 1.313 402 W CB -1.312 28.183 29.460 0.059 0.000 1.105 402 W HN 0.045 nan 8.180 nan 0.000 0.561 403 V N -0.239 119.780 119.914 0.174 0.000 2.488 403 V HA -0.266 3.854 4.120 0.000 0.000 0.246 403 V C 2.179 178.382 176.094 0.181 0.000 1.046 403 V CA 2.201 64.557 62.300 0.093 0.000 1.053 403 V CB -1.047 30.696 31.823 -0.132 0.000 0.679 403 V HN 0.150 nan 8.190 nan 0.000 0.458 404 H N 1.812 120.962 119.070 0.133 0.000 2.319 404 H HA -0.127 4.429 4.556 0.000 0.000 0.297 404 H C -0.091 175.306 175.328 0.114 0.000 1.097 404 H CA 2.659 58.786 56.048 0.132 0.000 1.285 404 H CB -1.153 28.686 29.762 0.128 0.000 1.368 404 H HN 0.359 nan 8.280 nan 0.000 0.495 405 P HA -0.114 nan 4.420 nan 0.000 0.221 405 P C 1.635 178.909 177.300 -0.044 0.000 1.150 405 P CA 1.110 64.180 63.100 -0.049 0.000 0.800 405 P CB 0.053 31.777 31.700 0.040 0.000 0.787 406 L N -0.226 121.008 121.223 0.019 0.000 2.027 406 L HA -0.057 4.283 4.340 0.000 0.000 0.206 406 L C 1.921 178.842 176.870 0.084 0.000 1.074 406 L CA 0.774 55.647 54.840 0.054 0.000 0.745 406 L CB -0.913 41.207 42.059 0.100 0.000 0.898 406 L HN -0.072 nan 8.230 nan 0.000 0.433 410 L N 1.650 122.895 121.223 0.036 0.000 2.046 410 L HA 0.265 4.605 4.340 0.000 0.000 0.208 410 L C 2.303 179.198 176.870 0.041 0.000 1.077 410 L CA 2.982 57.856 54.840 0.056 0.000 0.747 410 L CB -0.301 41.782 42.059 0.039 0.000 0.896 410 L HN 0.439 nan 8.230 nan 0.000 0.432 411 E N -0.398 119.811 120.200 0.016 0.000 2.031 411 E HA -0.269 4.081 4.350 0.000 0.000 0.193 411 E C 1.996 178.604 176.600 0.013 0.000 0.994 411 E CA 1.637 58.045 56.400 0.014 0.000 0.800 411 E CB -0.074 29.634 29.700 0.013 0.000 0.752 411 E HN 0.658 nan 8.360 nan 0.000 0.447 412 E N -0.632 119.579 120.200 0.017 0.000 2.070 412 E HA -0.265 4.085 4.350 0.000 0.000 0.197 412 E C 2.084 178.691 176.600 0.012 0.000 1.004 412 E CA 1.694 58.104 56.400 0.017 0.000 0.805 412 E CB -0.290 29.421 29.700 0.019 0.000 0.744 412 E HN 0.370 nan 8.360 nan 0.000 0.451 413 H N 0.450 119.481 119.070 -0.065 0.000 2.353 413 H HA -0.049 4.507 4.556 0.000 0.000 0.300 413 H C 1.934 177.167 175.328 -0.159 0.000 1.090 413 H CA 1.392 57.385 56.048 -0.092 0.000 1.327 413 H CB -0.161 29.551 29.762 -0.083 0.000 1.383 413 H HN 0.062 nan 8.280 nan 0.000 0.508 414 L N -0.183 120.852 121.223 -0.312 0.000 2.017 414 L HA -0.160 4.180 4.340 0.000 0.000 0.208 414 L C 2.060 178.588 176.870 -0.570 0.000 1.073 414 L CA 1.388 55.901 54.840 -0.546 0.000 0.745 414 L CB -0.342 41.533 42.059 -0.306 0.000 0.894 414 L HN 0.413 nan 8.230 nan 0.000 0.432 415 L N -2.970 118.158 121.223 -0.158 0.000 2.558 415 L HA 0.160 4.500 4.340 0.000 0.000 0.225 415 L C 1.329 178.197 176.870 -0.003 0.000 1.128 415 L CA 0.120 54.994 54.840 0.056 0.000 0.868 415 L CB -1.681 40.478 42.059 0.166 0.000 1.006 415 L HN 0.095 nan 8.230 nan 0.000 0.454 419 R N 1.156 121.736 120.500 0.132 0.000 2.797 419 R HA 0.571 4.911 4.340 0.000 0.000 0.274 419 R C -1.088 175.229 176.300 0.028 0.000 1.652 419 R CA -0.364 55.777 56.100 0.068 0.000 1.175 419 R CB 0.108 30.444 30.300 0.060 0.000 1.283 419 R HN 0.285 nan 8.270 nan 0.000 0.513 420 E N 1.758 121.967 120.200 0.015 0.000 3.626 420 E HA 0.146 4.496 4.350 0.000 0.000 0.245 420 E C -1.007 175.594 176.600 0.002 0.000 1.236 420 E CA -0.952 55.461 56.400 0.022 0.000 1.072 420 E CB 0.286 30.000 29.700 0.022 0.000 1.309 420 E HN 0.564 nan 8.360 nan 0.000 0.400 421 D N 0.000 120.388 120.400 -0.021 0.000 6.856 421 D HA 0.000 4.640 4.640 0.000 0.000 0.175 421 D CA 0.000 53.979 54.000 -0.036 0.000 0.868 421 D CB 0.000 40.765 40.800 -0.058 0.000 0.688 421 D HN 0.000 nan 8.370 nan 0.000 0.683