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 1z3t_1_A DATA FIRST_RESID 2 DATA SEQUENCE QAGTNTAENH PQLQSQQcTT SGGcKPLSTK VVLDSNWRWV HSTSGYTNcY DATA SEQUENCE TGNEWDTSLc PDGKTcAANc ALDGADYSGT YGITSTGTAL TLKFVTGSNV DATA SEQUENCE GSRVYLMADD THYQLLKLLN QEFTFDVDMS NLPcGLNGAL YLSAMDADGG DATA SEQUENCE MSKYPGNKAG AKYGTGYcDS QcPKDIKFIN GEANVGNWTE TGSNTGTGSY DATA SEQUENCE GTccSEMDIW EANNDAAAFT PHPcTTTGQT RcSGDDcARN TGLcDGDGCD DATA SEQUENCE FNSFRMGDKT FLGKGMTVDT SKPFTVVTQF LTNDNTSTGT LSEIRRIYIQ DATA SEQUENCE NGKVIQNSVA NIPGVDPVNS ITDNFCAQQK TAFGDTNWFA QKGGLKQMGE DATA SEQUENCE ALGNGMVLAL SIWDDHAANM LWLDSDYPTD KDPSAPGVAR GTcATTSGVP DATA SEQUENCE SDVESQVPNS QVVFSNIKFG DIGSTFSGTS 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.736 176.000 -0.440 0.000 1.003 2 Q CA 0.000 55.617 55.803 -0.310 0.000 1.022 2 Q CB 0.000 28.586 28.738 -0.253 0.000 1.108 3 A N 0.530 123.113 122.820 -0.394 0.000 2.269 3 A HA 0.734 5.056 4.320 0.004 0.000 0.302 3 A C 0.452 177.789 177.584 -0.410 0.000 1.266 3 A CA 0.427 52.127 52.037 -0.561 0.000 0.894 3 A CB 0.286 19.135 19.000 -0.251 0.000 1.147 3 A HN 0.570 nan 8.150 nan 0.000 0.537 4 G N 0.590 109.095 108.800 -0.490 0.000 2.504 4 G HA2 0.458 4.420 3.960 0.004 0.000 0.288 4 G HA3 0.458 4.420 3.960 0.004 0.000 0.288 4 G C 0.588 175.454 174.900 -0.056 0.000 1.182 4 G CA 0.353 45.303 45.100 -0.251 0.000 0.894 4 G HN 1.113 nan 8.290 nan 0.000 0.521 5 T N -2.221 112.325 114.554 -0.013 0.000 3.275 5 T HA 0.136 4.489 4.350 0.004 0.000 0.298 5 T C 0.943 175.663 174.700 0.034 0.000 0.988 5 T CA -0.443 61.677 62.100 0.033 0.000 0.936 5 T CB 0.139 69.017 68.868 0.017 0.000 1.159 5 T HN 0.285 nan 8.240 nan 0.000 0.519 6 N N 1.812 120.509 118.700 -0.005 0.000 2.409 6 N HA 0.071 4.814 4.740 0.004 0.000 0.179 6 N C 0.001 175.610 175.510 0.164 0.000 1.032 6 N CA 0.688 53.743 53.050 0.009 0.000 0.898 6 N CB 0.273 38.615 38.487 -0.242 0.000 0.971 6 N HN 0.440 nan 8.380 nan 0.000 0.441 7 T N 0.114 114.782 114.554 0.190 0.000 2.928 7 T HA 0.567 4.919 4.350 0.004 0.000 0.296 7 T C -0.532 174.274 174.700 0.177 0.000 1.000 7 T CA -0.815 61.412 62.100 0.211 0.000 0.989 7 T CB 2.433 71.474 68.868 0.289 0.000 1.005 7 T HN 0.125 nan 8.240 nan 0.000 0.442 8 A N 2.258 125.158 122.820 0.134 0.000 2.462 8 A HA 0.512 4.835 4.320 0.004 0.000 0.243 8 A C 0.265 177.903 177.584 0.091 0.000 1.076 8 A CA -0.207 51.887 52.037 0.095 0.000 0.773 8 A CB 0.112 19.149 19.000 0.061 0.000 1.010 8 A HN 0.752 nan 8.150 nan 0.000 0.493 9 E N 2.067 122.278 120.200 0.018 0.000 2.035 9 E HA 0.234 4.587 4.350 0.004 0.000 0.271 9 E C -1.119 175.343 176.600 -0.230 0.000 0.953 9 E CA -0.217 56.141 56.400 -0.070 0.000 0.777 9 E CB 0.158 29.730 29.700 -0.213 0.000 1.104 9 E HN 0.531 nan 8.360 nan 0.000 0.408 10 N N 3.814 122.448 118.700 -0.111 0.000 2.511 10 N HA 0.159 4.901 4.740 0.004 0.000 0.249 10 N C -1.152 174.231 175.510 -0.210 0.000 0.971 10 N CA -0.506 52.440 53.050 -0.173 0.000 0.938 10 N CB 0.761 39.214 38.487 -0.057 0.000 1.131 10 N HN 0.544 nan 8.380 nan 0.000 0.505 11 H N 1.425 120.416 119.070 -0.131 0.000 2.848 11 H HA 0.173 4.732 4.556 0.005 0.000 0.317 11 H C -1.836 173.306 175.328 -0.310 0.000 1.046 11 H CA -1.355 54.529 56.048 -0.272 0.000 1.470 11 H CB 0.296 29.975 29.762 -0.138 0.000 1.483 11 H HN 0.269 nan 8.280 nan 0.000 0.548 12 P HA -0.057 nan 4.420 nan 0.000 0.266 12 P C -0.469 176.773 177.300 -0.098 0.000 1.195 12 P CA 0.113 63.078 63.100 -0.223 0.000 0.768 12 P CB 0.597 32.130 31.700 -0.279 0.000 0.838 13 Q N 1.371 121.141 119.800 -0.051 0.000 2.288 13 Q HA 0.435 4.778 4.340 0.004 0.000 0.254 13 Q C -0.722 175.272 176.000 -0.010 0.000 0.932 13 Q CA -0.311 55.481 55.803 -0.019 0.000 0.902 13 Q CB 0.724 29.457 28.738 -0.008 0.000 1.203 13 Q HN 0.274 nan 8.270 nan 0.000 0.415 14 L N 2.754 123.980 121.223 0.004 0.000 2.518 14 L HA 0.206 4.549 4.340 0.004 0.000 0.262 14 L C -0.893 175.993 176.870 0.027 0.000 0.982 14 L CA -0.034 54.817 54.840 0.018 0.000 0.873 14 L CB 1.783 43.858 42.059 0.026 0.000 1.198 14 L HN 0.592 nan 8.230 nan 0.000 0.427 15 Q N 2.119 121.929 119.800 0.017 0.000 2.352 15 Q HA 0.568 4.911 4.340 0.004 0.000 0.260 15 Q C -0.460 175.543 176.000 0.005 0.000 0.976 15 Q CA 0.116 55.925 55.803 0.009 0.000 0.881 15 Q CB 0.861 29.595 28.738 -0.006 0.000 1.235 15 Q HN 0.799 nan 8.270 nan 0.000 0.419 16 S N 2.474 118.171 115.700 -0.006 0.000 2.671 16 S HA 0.560 5.032 4.470 0.004 0.000 0.299 16 S C -1.027 173.462 174.600 -0.186 0.000 1.116 16 S CA -0.995 57.163 58.200 -0.070 0.000 0.912 16 S CB 1.861 65.087 63.200 0.043 0.000 1.130 16 S HN 0.688 nan 8.310 nan 0.000 0.501 17 Q N 0.275 119.858 119.800 -0.363 0.000 2.365 17 Q HA 0.477 4.819 4.340 0.004 0.000 0.269 17 Q C -1.310 174.301 176.000 -0.647 0.000 1.061 17 Q CA -0.515 55.066 55.803 -0.370 0.000 0.816 17 Q CB 2.430 31.020 28.738 -0.247 0.000 1.325 17 Q HN 0.725 nan 8.270 nan 0.000 0.446 18 Q N 1.431 120.983 119.800 -0.414 0.000 2.293 18 Q HA 0.522 4.864 4.340 0.004 0.000 0.261 18 Q C -1.533 174.372 176.000 -0.158 0.000 0.960 18 Q CA -0.451 55.148 55.803 -0.340 0.000 0.882 18 Q CB 1.138 29.821 28.738 -0.093 0.000 1.275 18 Q HN 0.735 nan 8.270 nan 0.000 0.445 19 c N 2.490 121.029 118.600 -0.102 0.000 2.563 19 c HA 0.831 5.403 4.570 0.004 0.000 0.314 19 c C -0.199 173.885 174.090 -0.009 0.000 1.199 19 c CA -0.637 55.657 56.329 -0.059 0.000 1.564 19 c CB 1.266 43.738 42.510 -0.063 0.000 2.173 19 c HN 0.914 nan 8.230 nan 0.000 0.485 20 T N -1.598 112.948 114.554 -0.013 0.000 2.906 20 T HA 0.392 4.744 4.350 0.004 0.000 0.295 20 T C 0.647 175.339 174.700 -0.014 0.000 1.075 20 T CA -0.331 61.769 62.100 -0.001 0.000 1.005 20 T CB 1.347 70.217 68.868 0.003 0.000 1.136 20 T HN 0.518 nan 8.240 nan 0.000 0.498 21 T N 1.667 116.214 114.554 -0.011 0.000 2.684 21 T HA -0.155 4.198 4.350 0.004 0.000 0.267 21 T C 2.250 176.934 174.700 -0.026 0.000 1.036 21 T CA 2.289 64.374 62.100 -0.024 0.000 1.148 21 T CB -0.595 68.263 68.868 -0.017 0.000 0.863 21 T HN 0.889 nan 8.240 nan 0.000 0.436 22 S N 0.641 116.330 115.700 -0.018 0.000 2.406 22 S HA 0.142 4.614 4.470 0.004 0.000 0.224 22 S C 2.288 176.877 174.600 -0.019 0.000 1.030 22 S CA 0.832 59.021 58.200 -0.018 0.000 0.958 22 S CB -0.482 62.711 63.200 -0.012 0.000 0.811 22 S HN 0.491 nan 8.310 nan 0.000 0.489 23 G N 0.461 109.250 108.800 -0.018 0.000 2.744 23 G HA2 0.498 4.460 3.960 0.004 0.000 0.211 23 G HA3 0.498 4.460 3.960 0.004 0.000 0.211 23 G C 0.917 175.801 174.900 -0.026 0.000 1.146 23 G CA 0.174 45.263 45.100 -0.019 0.000 0.787 23 G HN 1.181 nan 8.290 nan 0.000 0.534 24 G N -1.228 107.554 108.800 -0.031 0.000 2.584 24 G HA2 -0.204 3.759 3.960 0.004 0.000 0.229 24 G HA3 -0.204 3.759 3.960 0.004 0.000 0.229 24 G C -0.164 174.709 174.900 -0.045 0.000 1.320 24 G CA -0.228 44.849 45.100 -0.039 0.000 0.891 24 G HN 0.724 nan 8.290 nan 0.000 0.573 25 c N 1.150 119.718 118.600 -0.053 0.000 2.341 25 c HA 0.803 5.375 4.570 0.004 0.000 0.338 25 c C 0.042 174.092 174.090 -0.067 0.000 1.257 25 c CA -0.752 55.533 56.329 -0.073 0.000 1.883 25 c CB 1.159 43.618 42.510 -0.084 0.000 2.334 25 c HN 0.629 nan 8.230 nan 0.000 0.524 26 K N 3.745 124.098 120.400 -0.078 0.000 2.426 26 K HA 0.506 4.828 4.320 0.004 0.000 0.254 26 K C -2.611 173.942 176.600 -0.079 0.000 0.936 26 K CA -2.192 54.057 56.287 -0.062 0.000 0.801 26 K CB 1.655 34.128 32.500 -0.044 0.000 1.139 26 K HN 0.415 nan 8.250 nan 0.000 0.424 27 P HA 0.248 nan 4.420 nan 0.000 0.271 27 P C -0.589 176.686 177.300 -0.041 0.000 1.218 27 P CA -0.337 62.725 63.100 -0.063 0.000 0.780 27 P CB 0.867 32.541 31.700 -0.043 0.000 0.901 28 L N 1.717 122.920 121.223 -0.033 0.000 2.362 28 L HA 0.296 4.639 4.340 0.004 0.000 0.275 28 L C 0.930 177.810 176.870 0.017 0.000 0.998 28 L CA -0.749 54.096 54.840 0.007 0.000 0.820 28 L CB 1.886 43.975 42.059 0.049 0.000 1.270 28 L HN 0.336 nan 8.230 nan 0.000 0.415 29 S N -0.281 115.432 115.700 0.021 0.000 3.811 29 S HA 0.109 4.581 4.470 0.004 0.000 0.205 29 S C 0.532 175.152 174.600 0.034 0.000 1.445 29 S CA -0.752 57.461 58.200 0.022 0.000 1.097 29 S CB -1.099 62.111 63.200 0.017 0.000 1.350 29 S HN 0.703 nan 8.310 nan 0.000 0.471 30 T N 0.004 114.586 114.554 0.047 0.000 2.828 30 T HA 0.487 4.840 4.350 0.004 0.000 0.290 30 T C -0.141 174.580 174.700 0.035 0.000 1.019 30 T CA -0.666 61.468 62.100 0.056 0.000 1.031 30 T CB 0.751 69.676 68.868 0.094 0.000 1.001 30 T HN 0.554 nan 8.240 nan 0.000 0.531 31 K N -0.352 120.063 120.400 0.024 0.000 2.409 31 K HA 0.725 5.048 4.320 0.004 0.000 0.252 31 K C -0.958 175.626 176.600 -0.027 0.000 1.036 31 K CA -1.172 55.113 56.287 -0.004 0.000 0.871 31 K CB 2.242 34.745 32.500 0.004 0.000 1.374 31 K HN 0.618 nan 8.250 nan 0.000 0.459 32 V N -2.279 117.598 119.914 -0.061 0.000 2.864 32 V HA 0.791 4.913 4.120 0.004 0.000 0.314 32 V C -0.937 175.104 176.094 -0.089 0.000 1.073 32 V CA -0.800 61.463 62.300 -0.063 0.000 0.956 32 V CB 1.768 33.564 31.823 -0.045 0.000 1.023 32 V HN 0.488 nan 8.190 nan 0.000 0.435 33 V N 4.112 124.018 119.914 -0.014 0.000 2.760 33 V HA 0.596 4.718 4.120 0.004 0.000 0.309 33 V C -0.638 175.523 176.094 0.111 0.000 1.077 33 V CA -0.801 61.561 62.300 0.103 0.000 0.910 33 V CB 1.804 33.608 31.823 -0.031 0.000 1.008 33 V HN 1.106 nan 8.190 nan 0.000 0.424 34 L N 5.871 127.204 121.223 0.183 0.000 2.455 34 L HA 0.310 4.652 4.340 0.004 0.000 0.272 34 L C 0.546 177.389 176.870 -0.045 0.000 1.174 34 L CA 0.595 55.355 54.840 -0.135 0.000 0.869 34 L CB 0.610 42.424 42.059 -0.408 0.000 1.130 34 L HN 0.848 nan 8.230 nan 0.000 0.474 35 D N 2.317 122.618 120.400 -0.164 0.000 2.472 35 D HA -0.095 4.547 4.640 0.004 0.000 0.237 35 D C 0.981 177.440 176.300 0.265 0.000 1.141 35 D CA 0.677 54.755 54.000 0.131 0.000 0.875 35 D CB 1.216 42.044 40.800 0.047 0.000 1.192 35 D HN 0.811 nan 8.370 nan 0.000 0.450 36 S N 3.347 119.232 115.700 0.308 0.000 2.419 36 S HA -0.235 4.238 4.470 0.004 0.000 0.235 36 S C 1.486 176.226 174.600 0.234 0.000 1.019 36 S CA 0.967 59.322 58.200 0.258 0.000 0.982 36 S CB -0.185 63.161 63.200 0.244 0.000 0.789 36 S HN 0.542 nan 8.310 nan 0.000 0.490 37 N N 0.409 119.255 118.700 0.242 0.000 2.364 37 N HA 0.019 4.761 4.740 0.004 0.000 0.183 37 N C 1.044 176.543 175.510 -0.018 0.000 1.022 37 N CA 1.145 54.223 53.050 0.047 0.000 0.883 37 N CB -0.277 38.142 38.487 -0.113 0.000 0.965 37 N HN 0.623 nan 8.380 nan 0.000 0.438 38 W N 0.962 122.258 121.300 -0.007 0.000 3.077 38 W HA 0.162 4.825 4.660 0.005 0.000 0.266 38 W C 0.255 176.844 176.519 0.117 0.000 1.300 38 W CA -0.333 57.028 57.345 0.025 0.000 1.586 38 W CB 0.214 29.592 29.460 -0.135 0.000 1.103 38 W HN -0.032 nan 8.180 nan 0.000 0.652 39 R N -0.118 120.547 120.500 0.274 0.000 2.577 39 R HA 0.047 4.389 4.340 0.004 0.000 0.269 39 R C -0.293 176.215 176.300 0.347 0.000 1.084 39 R CA -0.786 55.498 56.100 0.307 0.000 1.163 39 R CB 0.475 30.916 30.300 0.235 0.000 1.100 39 R HN -0.237 nan 8.270 nan 0.000 0.547 40 W N 2.423 123.832 121.300 0.183 0.000 2.251 40 W HA 0.161 4.823 4.660 0.004 0.000 0.327 40 W C -1.104 175.488 176.519 0.121 0.000 1.361 40 W CA -0.331 57.113 57.345 0.165 0.000 1.234 40 W CB 0.417 29.996 29.460 0.198 0.000 1.212 40 W HN 0.130 nan 8.180 nan 0.000 0.557 41 V N 8.455 128.472 119.914 0.171 0.000 2.378 41 V HA 0.356 4.479 4.120 0.004 0.000 0.288 41 V C -0.337 175.642 176.094 -0.191 0.000 1.016 41 V CA -0.606 61.636 62.300 -0.098 0.000 0.840 41 V CB 0.690 32.556 31.823 0.071 0.000 0.994 41 V HN 0.633 nan 8.190 nan 0.000 0.431 42 H N 1.302 120.122 119.070 -0.417 0.000 2.977 42 H HA 0.715 5.274 4.556 0.004 0.000 0.350 42 H C -0.155 175.027 175.328 -0.244 0.000 1.238 42 H CA -0.771 55.059 56.048 -0.363 0.000 1.124 42 H CB 1.272 30.604 29.762 -0.717 0.000 1.866 42 H HN 0.477 nan 8.280 nan 0.000 0.550 43 S N -0.320 115.405 115.700 0.042 0.000 2.560 43 S HA 0.011 4.483 4.470 0.004 0.000 0.284 43 S C 1.325 175.924 174.600 -0.002 0.000 1.327 43 S CA 0.148 58.356 58.200 0.013 0.000 1.055 43 S CB 0.052 63.289 63.200 0.062 0.000 0.868 43 S HN 0.914 nan 8.310 nan 0.000 0.506 44 T N 1.043 115.551 114.554 -0.077 0.000 3.007 44 T HA -0.077 4.275 4.350 0.004 0.000 0.270 44 T C 1.347 176.028 174.700 -0.032 0.000 1.107 44 T CA 1.132 63.178 62.100 -0.090 0.000 1.118 44 T CB -0.507 68.301 68.868 -0.100 0.000 0.889 44 T HN 0.698 nan 8.240 nan 0.000 0.506 45 S N -0.496 115.203 115.700 -0.002 0.000 2.582 45 S HA 0.671 5.144 4.470 0.004 0.000 0.234 45 S C 0.833 175.455 174.600 0.038 0.000 0.961 45 S CA -0.141 58.067 58.200 0.013 0.000 0.953 45 S CB 0.175 63.386 63.200 0.017 0.000 0.800 45 S HN 0.900 nan 8.310 nan 0.000 0.471 46 G N 0.527 109.344 108.800 0.027 0.000 2.539 46 G HA2 0.338 4.301 3.960 0.004 0.000 0.138 46 G HA3 0.338 4.301 3.960 0.004 0.000 0.138 46 G C -0.913 173.915 174.900 -0.121 0.000 1.148 46 G CA -0.454 44.684 45.100 0.064 0.000 1.057 46 G HN 0.158 nan 8.290 nan 0.000 0.511 47 Y N 1.018 121.314 120.300 -0.006 0.000 2.527 47 Y HA 0.390 4.942 4.550 0.004 0.000 0.247 47 Y C 1.362 177.377 175.900 0.191 0.000 1.138 47 Y CA -0.048 58.076 58.100 0.039 0.000 1.228 47 Y CB 0.887 39.434 38.460 0.144 0.000 1.252 47 Y HN 0.250 nan 8.280 nan 0.000 0.531 48 T N 2.600 117.304 114.554 0.251 0.000 2.888 48 T HA 0.042 4.395 4.350 0.004 0.000 0.301 48 T C 0.206 175.055 174.700 0.249 0.000 1.001 48 T CA -0.337 61.898 62.100 0.226 0.000 1.147 48 T CB 0.124 69.082 68.868 0.150 0.000 0.931 48 T HN 0.122 nan 8.240 nan 0.000 0.541 49 N N 1.608 120.473 118.700 0.276 0.000 2.513 49 N HA 0.058 4.800 4.740 0.004 0.000 0.268 49 N C 0.719 176.333 175.510 0.173 0.000 1.180 49 N CA -0.308 52.910 53.050 0.280 0.000 0.948 49 N CB 0.799 39.453 38.487 0.279 0.000 1.083 49 N HN 0.634 nan 8.380 nan 0.000 0.455 50 c N 0.880 119.577 118.600 0.163 0.000 2.533 50 c HA 0.100 4.672 4.570 0.004 0.000 0.272 50 c C 0.531 174.729 174.090 0.180 0.000 1.371 50 c CA 0.068 56.514 56.329 0.194 0.000 1.758 50 c CB -1.219 41.441 42.510 0.250 0.000 1.972 50 c HN 0.692 nan 8.230 nan 0.000 0.522 51 Y N 0.039 120.278 120.300 -0.102 0.000 2.433 51 Y HA 0.510 5.062 4.550 0.004 0.000 0.337 51 Y C -0.731 175.071 175.900 -0.164 0.000 1.026 51 Y CA -0.273 57.608 58.100 -0.367 0.000 1.037 51 Y CB 1.457 39.462 38.460 -0.759 0.000 1.245 51 Y HN -0.083 nan 8.280 nan 0.000 0.443 52 T N 4.858 119.080 114.554 -0.553 0.000 2.991 52 T HA 0.571 4.923 4.350 0.004 0.000 0.303 52 T C 0.268 174.694 174.700 -0.457 0.000 1.015 52 T CA 0.006 61.920 62.100 -0.309 0.000 1.007 52 T CB 1.286 70.061 68.868 -0.156 0.000 1.034 52 T HN 1.270 nan 8.240 nan 0.000 0.446 53 G N 4.351 112.987 108.800 -0.272 0.000 2.601 53 G HA2 -0.333 3.629 3.960 0.004 0.000 0.306 53 G HA3 -0.333 3.629 3.960 0.004 0.000 0.306 53 G C 0.331 175.060 174.900 -0.286 0.000 1.172 53 G CA 0.693 45.672 45.100 -0.202 0.000 0.966 53 G HN 1.103 nan 8.290 nan 0.000 0.542 54 N N 1.184 119.724 118.700 -0.266 0.000 2.365 54 N HA 0.397 5.140 4.740 0.004 0.000 0.257 54 N C -0.276 175.207 175.510 -0.045 0.000 1.287 54 N CA 0.269 53.270 53.050 -0.081 0.000 0.882 54 N CB 1.006 39.535 38.487 0.070 0.000 1.250 54 N HN 0.579 nan 8.380 nan 0.000 0.507 55 E N -0.088 119.791 120.200 -0.536 0.000 2.356 55 E HA 0.276 4.628 4.350 0.004 0.000 0.275 55 E C -1.078 175.152 176.600 -0.616 0.000 0.904 55 E CA -0.448 55.756 56.400 -0.327 0.000 0.757 55 E CB 1.321 30.971 29.700 -0.084 0.000 1.232 55 E HN 0.142 nan 8.360 nan 0.000 0.442 56 W N 0.906 121.990 121.300 -0.359 0.000 2.283 56 W HA 0.212 4.875 4.660 0.004 0.000 0.341 56 W C 0.788 177.225 176.519 -0.137 0.000 1.206 56 W CA -0.246 56.962 57.345 -0.229 0.000 1.294 56 W CB 0.549 29.837 29.460 -0.288 0.000 1.154 56 W HN 0.232 nan 8.180 nan 0.000 0.613 57 D N 1.274 121.791 120.400 0.194 0.000 2.336 57 D HA -0.014 4.629 4.640 0.004 0.000 0.249 57 D C 1.303 177.661 176.300 0.097 0.000 1.213 57 D CA 0.232 54.297 54.000 0.109 0.000 0.870 57 D CB 1.207 42.066 40.800 0.098 0.000 1.076 57 D HN 0.550 nan 8.370 nan 0.000 0.483 58 T N 0.336 114.927 114.554 0.062 0.000 2.962 58 T HA -0.152 4.200 4.350 0.004 0.000 0.270 58 T C 1.792 176.503 174.700 0.018 0.000 1.088 58 T CA 1.023 63.142 62.100 0.032 0.000 1.127 58 T CB 0.116 69.000 68.868 0.027 0.000 0.883 58 T HN 0.248 nan 8.240 nan 0.000 0.493 59 S N 0.772 116.489 115.700 0.029 0.000 2.371 59 S HA 0.152 4.625 4.470 0.004 0.000 0.224 59 S C 1.869 176.482 174.600 0.021 0.000 1.029 59 S CA 0.421 58.634 58.200 0.022 0.000 0.978 59 S CB -0.430 62.786 63.200 0.027 0.000 0.833 59 S HN 0.555 nan 8.310 nan 0.000 0.466 60 L N 0.241 121.487 121.223 0.037 0.000 2.341 60 L HA 0.220 4.563 4.340 0.004 0.000 0.214 60 L C 0.351 177.232 176.870 0.018 0.000 1.115 60 L CA 0.218 55.081 54.840 0.038 0.000 0.820 60 L CB 0.176 42.276 42.059 0.068 0.000 0.944 60 L HN 0.375 nan 8.230 nan 0.000 0.452 61 c N 0.303 118.907 118.600 0.006 0.000 3.401 61 c HA 0.254 4.827 4.570 0.004 0.000 0.204 61 c C -0.881 173.142 174.090 -0.112 0.000 1.522 61 c CA -0.900 55.387 56.329 -0.071 0.000 1.409 61 c CB 0.134 42.588 42.510 -0.093 0.000 1.967 61 c HN 0.214 nan 8.230 nan 0.000 0.496 62 P HA -0.039 nan 4.420 nan 0.000 0.218 62 P C 0.083 177.322 177.300 -0.101 0.000 1.152 62 P CA 1.763 64.819 63.100 -0.072 0.000 0.826 62 P CB 0.458 32.133 31.700 -0.042 0.000 0.790 63 D N -2.732 117.597 120.400 -0.117 0.000 2.579 63 D HA 0.183 4.826 4.640 0.004 0.000 0.257 63 D C 0.996 177.199 176.300 -0.162 0.000 1.176 63 D CA -0.662 53.265 54.000 -0.122 0.000 0.914 63 D CB 0.813 41.570 40.800 -0.072 0.000 1.431 63 D HN -0.113 nan 8.370 nan 0.000 0.454 64 G N 0.308 109.018 108.800 -0.150 0.000 2.418 64 G HA2 -0.272 3.691 3.960 0.004 0.000 0.217 64 G HA3 -0.272 3.691 3.960 0.004 0.000 0.217 64 G C 1.338 176.177 174.900 -0.101 0.000 1.158 64 G CA 0.781 45.780 45.100 -0.168 0.000 0.771 64 G HN 0.483 nan 8.290 nan 0.000 0.545 65 K N -0.242 120.121 120.400 -0.062 0.000 2.031 65 K HA -0.014 4.309 4.320 0.004 0.000 0.205 65 K C 2.807 179.386 176.600 -0.035 0.000 1.049 65 K CA 1.437 57.702 56.287 -0.037 0.000 0.939 65 K CB -0.372 32.112 32.500 -0.027 0.000 0.717 65 K HN 0.162 nan 8.250 nan 0.000 0.438 66 T N 1.057 115.584 114.554 -0.045 0.000 2.684 66 T HA -0.243 4.110 4.350 0.004 0.000 0.267 66 T C 2.064 176.743 174.700 -0.035 0.000 1.036 66 T CA 1.365 63.442 62.100 -0.038 0.000 1.148 66 T CB -0.570 68.273 68.868 -0.042 0.000 0.863 66 T HN 0.367 nan 8.240 nan 0.000 0.436 67 c N 1.578 120.141 118.600 -0.062 0.000 2.413 67 c HA 0.026 4.599 4.570 0.004 0.000 0.276 67 c C 3.143 177.268 174.090 0.060 0.000 1.248 67 c CA 0.802 57.109 56.329 -0.036 0.000 1.742 67 c CB -1.467 40.925 42.510 -0.196 0.000 2.017 67 c HN 0.619 nan 8.230 nan 0.000 0.481 68 A N -0.229 122.637 122.820 0.076 0.000 1.972 68 A HA 0.161 4.484 4.320 0.004 0.000 0.219 68 A C 2.344 179.922 177.584 -0.010 0.000 1.169 68 A CA 1.995 54.094 52.037 0.104 0.000 0.635 68 A CB -0.812 18.244 19.000 0.094 0.000 0.810 68 A HN 0.800 nan 8.150 nan 0.000 0.446 69 A N -0.273 122.537 122.820 -0.016 0.000 1.970 69 A HA -0.042 4.280 4.320 0.004 0.000 0.216 69 A C 1.741 179.300 177.584 -0.042 0.000 1.170 69 A CA 1.326 53.342 52.037 -0.036 0.000 0.645 69 A CB -0.295 18.689 19.000 -0.027 0.000 0.816 69 A HN 0.487 nan 8.150 nan 0.000 0.447 70 N N -1.000 117.685 118.700 -0.026 0.000 2.424 70 N HA 0.065 4.807 4.740 0.004 0.000 0.178 70 N C -0.322 175.160 175.510 -0.047 0.000 1.060 70 N CA 0.426 53.460 53.050 -0.026 0.000 0.901 70 N CB -0.113 38.372 38.487 -0.002 0.000 0.979 70 N HN 0.379 nan 8.380 nan 0.000 0.451 71 c N 0.803 119.373 118.600 -0.051 0.000 2.417 71 c HA 0.867 5.439 4.570 0.004 0.000 0.324 71 c C 0.268 174.206 174.090 -0.254 0.000 1.240 71 c CA -1.226 55.048 56.329 -0.091 0.000 1.632 71 c CB 0.928 43.500 42.510 0.105 0.000 2.241 71 c HN 0.310 nan 8.230 nan 0.000 0.499 72 A N 3.023 125.572 122.820 -0.452 0.000 2.365 72 A HA 0.848 5.171 4.320 0.004 0.000 0.318 72 A C -0.943 176.222 177.584 -0.698 0.000 1.091 72 A CA -0.463 51.214 52.037 -0.600 0.000 0.763 72 A CB 0.633 19.242 19.000 -0.652 0.000 1.248 72 A HN 0.869 nan 8.150 nan 0.000 0.442 73 L N 1.912 122.770 121.223 -0.608 0.000 2.326 73 L HA 0.385 4.727 4.340 0.004 0.000 0.278 73 L C -0.005 176.604 176.870 -0.435 0.000 1.092 73 L CA -0.385 54.186 54.840 -0.450 0.000 0.810 73 L CB 0.868 42.705 42.059 -0.369 0.000 1.153 73 L HN 0.687 nan 8.230 nan 0.000 0.439 74 D N 0.660 121.002 120.400 -0.096 0.000 2.467 74 D HA 0.393 5.035 4.640 0.004 0.000 0.245 74 D C -0.160 176.360 176.300 0.368 0.000 1.038 74 D CA -0.304 53.773 54.000 0.127 0.000 1.038 74 D CB 2.252 43.155 40.800 0.172 0.000 1.278 74 D HN 0.549 nan 8.370 nan 0.000 0.564 75 G N -0.680 108.349 108.800 0.382 0.000 2.664 75 G HA2 0.472 4.435 3.960 0.004 0.000 0.242 75 G HA3 0.472 4.435 3.960 0.004 0.000 0.242 75 G C -0.697 174.375 174.900 0.286 0.000 1.225 75 G CA 0.010 45.299 45.100 0.315 0.000 0.849 75 G HN 0.419 nan 8.290 nan 0.000 0.581 76 A N 0.318 123.256 122.820 0.197 0.000 2.374 76 A HA 0.563 4.886 4.320 0.004 0.000 0.317 76 A C -0.570 177.112 177.584 0.163 0.000 1.094 76 A CA -0.611 51.517 52.037 0.152 0.000 0.765 76 A CB 1.737 20.632 19.000 -0.175 0.000 1.268 76 A HN 0.575 nan 8.150 nan 0.000 0.438 77 D N 1.686 122.201 120.400 0.192 0.000 2.453 77 D HA 0.208 4.850 4.640 0.004 0.000 0.223 77 D C 0.320 176.757 176.300 0.230 0.000 1.183 77 D CA -0.000 54.109 54.000 0.182 0.000 0.933 77 D CB -0.177 40.677 40.800 0.090 0.000 1.038 77 D HN 0.456 nan 8.370 nan 0.000 0.513 78 Y N 1.760 122.187 120.300 0.212 0.000 2.081 78 Y HA -0.239 4.313 4.550 0.004 0.000 0.280 78 Y C 2.698 178.710 175.900 0.185 0.000 1.163 78 Y CA 1.640 59.873 58.100 0.222 0.000 1.135 78 Y CB -0.455 38.078 38.460 0.121 0.000 0.970 78 Y HN 0.373 nan 8.280 nan 0.000 0.498 79 S N -0.614 115.244 115.700 0.264 0.000 2.362 79 S HA -0.065 4.407 4.470 0.004 0.000 0.221 79 S C 2.388 177.044 174.600 0.092 0.000 1.032 79 S CA 1.049 59.344 58.200 0.159 0.000 0.973 79 S CB -0.945 62.328 63.200 0.121 0.000 0.849 79 S HN 0.539 nan 8.310 nan 0.000 0.465 80 G N 0.270 109.111 108.800 0.068 0.000 2.421 80 G HA2 -0.142 3.821 3.960 0.004 0.000 0.216 80 G HA3 -0.142 3.821 3.960 0.004 0.000 0.216 80 G C 1.473 176.330 174.900 -0.071 0.000 1.171 80 G CA 1.581 46.684 45.100 0.004 0.000 0.775 80 G HN 0.563 nan 8.290 nan 0.000 0.543 81 T N -0.816 113.646 114.554 -0.153 0.000 2.976 81 T HA 0.094 4.446 4.350 0.004 0.000 0.257 81 T C 1.629 176.018 174.700 -0.519 0.000 1.051 81 T CA 0.720 62.562 62.100 -0.430 0.000 1.141 81 T CB -0.055 68.389 68.868 -0.707 0.000 0.881 81 T HN 0.350 nan 8.240 nan 0.000 0.461 82 Y N 0.143 120.451 120.300 0.013 0.000 2.445 82 Y HA 0.454 5.007 4.550 0.004 0.000 0.247 82 Y C 1.722 177.639 175.900 0.028 0.000 1.129 82 Y CA -0.632 57.474 58.100 0.010 0.000 1.251 82 Y CB 0.219 38.639 38.460 -0.066 0.000 1.176 82 Y HN 0.248 nan 8.280 nan 0.000 0.522 83 G N 1.560 110.444 108.800 0.141 0.000 2.221 83 G HA2 -0.309 3.653 3.960 0.004 0.000 0.265 83 G HA3 -0.309 3.653 3.960 0.004 0.000 0.265 83 G C -0.127 174.855 174.900 0.137 0.000 1.041 83 G CA 0.236 45.407 45.100 0.118 0.000 0.807 83 G HN 0.349 nan 8.290 nan 0.000 0.502 84 I N 1.700 122.377 120.570 0.179 0.000 2.321 84 I HA 0.539 4.712 4.170 0.004 0.000 0.291 84 I C 0.648 176.868 176.117 0.171 0.000 0.998 84 I CA -0.044 61.364 61.300 0.180 0.000 1.227 84 I CB 1.662 39.808 38.000 0.243 0.000 1.368 84 I HN 0.285 nan 8.210 nan 0.000 0.466 85 T N 1.363 115.986 114.554 0.114 0.000 2.903 85 T HA 0.623 4.975 4.350 0.004 0.000 0.299 85 T C -0.663 174.071 174.700 0.057 0.000 1.093 85 T CA -0.834 61.316 62.100 0.083 0.000 1.002 85 T CB 2.021 70.931 68.868 0.070 0.000 1.127 85 T HN 0.402 nan 8.240 nan 0.000 0.488 86 S N 0.138 115.858 115.700 0.033 0.000 2.538 86 S HA 0.524 4.997 4.470 0.004 0.000 0.288 86 S C 1.183 175.795 174.600 0.019 0.000 1.108 86 S CA -0.046 58.169 58.200 0.025 0.000 0.971 86 S CB 1.594 64.797 63.200 0.006 0.000 1.041 86 S HN 1.126 nan 8.310 nan 0.000 0.483 87 T N 1.203 115.770 114.554 0.021 0.000 3.085 87 T HA 0.321 4.673 4.350 0.004 0.000 0.263 87 T C 1.441 176.147 174.700 0.010 0.000 1.127 87 T CA 1.189 63.298 62.100 0.015 0.000 1.103 87 T CB -0.258 68.620 68.868 0.015 0.000 0.921 87 T HN 1.660 nan 8.240 nan 0.000 0.510 88 G N 0.621 109.427 108.800 0.010 0.000 2.278 88 G HA2 -0.266 3.696 3.960 0.004 0.000 0.210 88 G HA3 -0.266 3.696 3.960 0.004 0.000 0.210 88 G C 1.031 175.937 174.900 0.009 0.000 1.000 88 G CA 0.674 45.777 45.100 0.006 0.000 0.635 88 G HN 1.174 nan 8.290 nan 0.000 0.495 89 T N -2.993 111.569 114.554 0.014 0.000 3.009 89 T HA 0.710 5.062 4.350 0.004 0.000 0.267 89 T C 0.650 175.370 174.700 0.034 0.000 0.942 89 T CA 1.332 63.442 62.100 0.017 0.000 0.883 89 T CB 0.890 69.762 68.868 0.006 0.000 1.192 89 T HN 1.789 nan 8.240 nan 0.000 0.524 90 A N 1.496 124.339 122.820 0.038 0.000 2.343 90 A HA 0.802 5.124 4.320 0.004 0.000 0.308 90 A C -1.248 176.374 177.584 0.064 0.000 1.092 90 A CA -0.736 51.335 52.037 0.056 0.000 0.751 90 A CB 1.356 20.378 19.000 0.038 0.000 1.203 90 A HN 0.401 nan 8.150 nan 0.000 0.452 91 L N 2.376 123.659 121.223 0.101 0.000 2.272 91 L HA 0.656 4.998 4.340 0.004 0.000 0.289 91 L C -0.176 176.757 176.870 0.104 0.000 1.032 91 L CA 0.465 55.371 54.840 0.109 0.000 0.810 91 L CB 1.682 43.833 42.059 0.154 0.000 1.205 91 L HN 0.613 nan 8.230 nan 0.000 0.422 92 T N 6.596 121.195 114.554 0.076 0.000 2.758 92 T HA 0.553 4.905 4.350 0.004 0.000 0.285 92 T C -0.375 174.372 174.700 0.079 0.000 0.981 92 T CA -0.242 61.890 62.100 0.055 0.000 0.965 92 T CB 0.570 69.463 68.868 0.042 0.000 0.927 92 T HN 0.402 nan 8.240 nan 0.000 0.448 93 L N 4.023 125.293 121.223 0.079 0.000 2.298 93 L HA 0.498 4.841 4.340 0.004 0.000 0.284 93 L C 0.341 177.278 176.870 0.112 0.000 1.013 93 L CA -0.874 54.030 54.840 0.106 0.000 0.824 93 L CB 1.231 43.372 42.059 0.136 0.000 1.221 93 L HN 0.364 nan 8.230 nan 0.000 0.418 94 K N 1.482 121.957 120.400 0.126 0.000 2.144 94 K HA 0.210 4.532 4.320 0.004 0.000 0.270 94 K C 0.391 177.128 176.600 0.230 0.000 1.005 94 K CA -0.587 55.790 56.287 0.150 0.000 0.932 94 K CB 1.583 34.150 32.500 0.112 0.000 1.021 94 K HN 0.310 nan 8.250 nan 0.000 0.462 95 F N 2.174 122.168 119.950 0.072 0.000 2.037 95 F HA -0.021 4.510 4.527 0.006 0.000 0.291 95 F C 0.490 176.355 175.800 0.110 0.000 1.137 95 F CA 0.803 58.859 58.000 0.093 0.000 1.178 95 F CB 0.272 39.310 39.000 0.063 0.000 0.995 95 F HN 0.107 nan 8.300 nan 0.000 0.472 96 V N 1.137 120.951 119.914 -0.167 0.000 2.459 96 V HA 0.386 4.508 4.120 0.004 0.000 0.295 96 V C -0.653 175.399 176.094 -0.071 0.000 1.029 96 V CA -0.487 61.665 62.300 -0.246 0.000 0.874 96 V CB 1.348 32.970 31.823 -0.335 0.000 0.985 96 V HN 0.243 nan 8.190 nan 0.000 0.438 97 T N 3.921 118.446 114.554 -0.048 0.000 2.930 97 T HA 0.612 4.964 4.350 0.004 0.000 0.313 97 T C 0.642 175.309 174.700 -0.055 0.000 1.019 97 T CA 0.326 62.407 62.100 -0.032 0.000 1.004 97 T CB 1.048 69.907 68.868 -0.014 0.000 0.987 97 T HN 1.354 nan 8.240 nan 0.000 0.456 98 G N 3.556 112.324 108.800 -0.053 0.000 2.629 98 G HA2 -0.349 3.614 3.960 0.004 0.000 0.313 98 G HA3 -0.349 3.614 3.960 0.004 0.000 0.313 98 G C 1.245 176.111 174.900 -0.055 0.000 1.217 98 G CA 0.773 45.839 45.100 -0.057 0.000 0.994 98 G HN 1.374 nan 8.290 nan 0.000 0.549 99 S N 0.313 115.980 115.700 -0.055 0.000 2.577 99 S HA 0.298 4.771 4.470 0.004 0.000 0.219 99 S C 0.510 175.099 174.600 -0.018 0.000 0.962 99 S CA 0.910 59.087 58.200 -0.038 0.000 0.921 99 S CB 0.060 63.239 63.200 -0.035 0.000 0.789 99 S HN 0.944 nan 8.310 nan 0.000 0.497 100 N N 1.016 119.706 118.700 -0.017 0.000 2.499 100 N HA 0.414 5.157 4.740 0.004 0.000 0.281 100 N C -1.241 174.310 175.510 0.068 0.000 1.098 100 N CA -0.380 52.707 53.050 0.063 0.000 0.979 100 N CB 1.394 39.921 38.487 0.067 0.000 1.121 100 N HN 0.061 nan 8.380 nan 0.000 0.466 101 V N 2.844 122.848 119.914 0.150 0.000 2.407 101 V HA 0.774 4.897 4.120 0.004 0.000 0.291 101 V C 0.841 177.169 176.094 0.391 0.000 1.018 101 V CA -0.102 62.258 62.300 0.101 0.000 0.842 101 V CB 0.327 32.194 31.823 0.075 0.000 0.996 101 V HN 1.039 nan 8.190 nan 0.000 0.426 102 G N 4.646 113.668 108.800 0.370 0.000 2.796 102 G HA2 0.136 4.099 3.960 0.004 0.000 0.226 102 G HA3 0.136 4.099 3.960 0.004 0.000 0.226 102 G C -0.232 174.850 174.900 0.304 0.000 1.381 102 G CA 0.024 45.414 45.100 0.483 0.000 0.867 102 G HN 2.026 nan 8.290 nan 0.000 0.552 103 S N -1.572 114.103 115.700 -0.041 0.000 2.595 103 S HA 0.799 5.272 4.470 0.004 0.000 0.270 103 S C -0.887 173.209 174.600 -0.841 0.000 1.145 103 S CA 0.044 57.734 58.200 -0.849 0.000 0.825 103 S CB 2.343 65.239 63.200 -0.506 0.000 1.107 103 S HN 1.687 nan 8.310 nan 0.000 0.461 104 R N 0.573 120.334 120.500 -1.232 0.000 2.548 104 R HA 0.716 5.059 4.340 0.004 0.000 0.280 104 R C -1.424 174.411 176.300 -0.776 0.000 1.061 104 R CA -0.650 54.986 56.100 -0.774 0.000 0.915 104 R CB 1.890 31.797 30.300 -0.655 0.000 1.210 104 R HN 1.113 nan 8.270 nan 0.000 0.442 105 V N 0.671 120.201 119.914 -0.640 0.000 3.074 105 V HA 0.715 4.838 4.120 0.004 0.000 0.314 105 V C -1.538 174.107 176.094 -0.748 0.000 1.117 105 V CA -0.849 61.094 62.300 -0.595 0.000 1.014 105 V CB 1.863 33.545 31.823 -0.234 0.000 1.057 105 V HN 0.668 nan 8.190 nan 0.000 0.438 106 Y N 1.563 121.791 120.300 -0.121 0.000 2.485 106 Y HA 0.732 5.284 4.550 0.003 0.000 0.345 106 Y C -0.215 175.638 175.900 -0.079 0.000 0.998 106 Y CA -1.247 56.750 58.100 -0.171 0.000 1.059 106 Y CB 1.836 40.119 38.460 -0.295 0.000 1.234 106 Y HN 0.759 nan 8.280 nan 0.000 0.461 107 L N 4.126 125.392 121.223 0.071 0.000 2.360 107 L HA 0.406 4.749 4.340 0.004 0.000 0.276 107 L C -0.726 176.218 176.870 0.124 0.000 1.121 107 L CA 0.102 54.982 54.840 0.067 0.000 0.845 107 L CB -0.021 42.070 42.059 0.052 0.000 1.143 107 L HN 0.579 nan 8.230 nan 0.000 0.452 108 M N 4.618 124.270 119.600 0.088 0.000 2.364 108 M HA 0.405 4.888 4.480 0.004 0.000 0.334 108 M C 0.923 177.262 176.300 0.064 0.000 1.107 108 M CA -0.518 54.828 55.300 0.076 0.000 0.988 108 M CB 1.855 34.423 32.600 -0.053 0.000 1.673 108 M HN 0.746 nan 8.290 nan 0.000 0.441 109 A N 2.098 124.964 122.820 0.077 0.000 1.897 109 A HA -0.014 4.308 4.320 0.004 0.000 0.215 109 A C 0.317 177.934 177.584 0.056 0.000 1.181 109 A CA 1.803 53.881 52.037 0.067 0.000 0.620 109 A CB -0.295 18.740 19.000 0.058 0.000 0.821 109 A HN 0.944 nan 8.150 nan 0.000 0.443 110 D N -4.135 116.303 120.400 0.064 0.000 2.825 110 D HA 0.268 4.911 4.640 0.004 0.000 0.327 110 D C -0.555 175.783 176.300 0.064 0.000 1.277 110 D CA -0.387 53.654 54.000 0.069 0.000 0.950 110 D CB -0.139 40.711 40.800 0.083 0.000 1.438 110 D HN -0.176 nan 8.370 nan 0.000 0.526 111 D N -1.138 119.317 120.400 0.092 0.000 2.348 111 D HA -0.015 4.627 4.640 0.004 0.000 0.216 111 D C 0.988 177.317 176.300 0.048 0.000 0.970 111 D CA 1.647 55.729 54.000 0.137 0.000 0.889 111 D CB 0.005 40.889 40.800 0.140 0.000 0.912 111 D HN 0.574 nan 8.370 nan 0.000 0.524 112 T N -3.180 111.355 114.554 -0.031 0.000 3.111 112 T HA 0.166 4.519 4.350 0.004 0.000 0.284 112 T C 0.048 174.413 174.700 -0.558 0.000 0.983 112 T CA -0.455 61.501 62.100 -0.240 0.000 0.900 112 T CB 0.119 68.849 68.868 -0.230 0.000 1.132 112 T HN -0.047 nan 8.240 nan 0.000 0.531 113 H N 0.052 119.016 119.070 -0.176 0.000 2.759 113 H HA 0.526 5.084 4.556 0.004 0.000 0.354 113 H C -1.261 173.967 175.328 -0.167 0.000 1.074 113 H CA -0.980 54.950 56.048 -0.196 0.000 1.226 113 H CB 0.736 30.445 29.762 -0.087 0.000 1.648 113 H HN 0.057 nan 8.280 nan 0.000 0.529 114 Y N 0.712 121.031 120.300 0.031 0.000 2.480 114 Y HA 0.038 4.591 4.550 0.005 0.000 0.338 114 Y C 0.954 176.860 175.900 0.011 0.000 1.220 114 Y CA -0.288 57.808 58.100 -0.007 0.000 1.430 114 Y CB 0.387 38.809 38.460 -0.064 0.000 1.311 114 Y HN 0.569 nan 8.280 nan 0.000 0.575 115 Q N 2.270 122.163 119.800 0.156 0.000 2.271 115 Q HA 0.234 4.577 4.340 0.004 0.000 0.273 115 Q C -1.538 174.468 176.000 0.010 0.000 1.051 115 Q CA -0.071 55.772 55.803 0.067 0.000 0.901 115 Q CB 0.139 28.908 28.738 0.051 0.000 1.174 115 Q HN 0.590 nan 8.270 nan 0.000 0.385 116 L N 5.990 127.207 121.223 -0.011 0.000 2.261 116 L HA 0.394 4.737 4.340 0.004 0.000 0.289 116 L C -1.212 175.592 176.870 -0.111 0.000 1.059 116 L CA 0.054 54.863 54.840 -0.050 0.000 0.816 116 L CB 0.657 42.701 42.059 -0.025 0.000 1.191 116 L HN 0.727 nan 8.230 nan 0.000 0.431 117 L N 5.671 126.793 121.223 -0.169 0.000 2.275 117 L HA 0.443 4.786 4.340 0.004 0.000 0.288 117 L C 0.045 176.813 176.870 -0.170 0.000 1.046 117 L CA -0.479 54.217 54.840 -0.239 0.000 0.805 117 L CB 0.840 42.701 42.059 -0.330 0.000 1.193 117 L HN 0.500 nan 8.230 nan 0.000 0.426 118 K N 5.212 125.535 120.400 -0.128 0.000 2.473 118 K HA 0.373 4.696 4.320 0.004 0.000 0.246 118 K C 0.149 176.708 176.600 -0.069 0.000 1.011 118 K CA -0.251 55.983 56.287 -0.088 0.000 0.984 118 K CB 1.345 33.818 32.500 -0.046 0.000 1.250 118 K HN 0.596 nan 8.250 nan 0.000 0.454 119 L N 3.172 124.321 121.223 -0.123 0.000 2.728 119 L HA 0.229 4.572 4.340 0.004 0.000 0.238 119 L C 0.242 177.090 176.870 -0.038 0.000 1.143 119 L CA -0.172 54.610 54.840 -0.096 0.000 0.937 119 L CB 0.219 42.115 42.059 -0.271 0.000 1.225 119 L HN 0.461 nan 8.230 nan 0.000 0.507 120 L N 1.432 122.638 121.223 -0.028 0.000 2.455 120 L HA -0.021 4.322 4.340 0.004 0.000 0.272 120 L C 1.156 178.085 176.870 0.099 0.000 1.174 120 L CA 0.524 55.394 54.840 0.050 0.000 0.869 120 L CB 0.091 42.168 42.059 0.030 0.000 1.130 120 L HN 0.412 nan 8.230 nan 0.000 0.474 121 N N 1.991 120.778 118.700 0.145 0.000 2.725 121 N HA -0.189 4.554 4.740 0.004 0.000 0.249 121 N C -0.554 175.042 175.510 0.143 0.000 1.103 121 N CA 0.375 53.502 53.050 0.129 0.000 0.707 121 N CB -0.008 38.531 38.487 0.086 0.000 1.043 121 N HN 0.659 nan 8.380 nan 0.000 0.553 122 Q N 0.157 120.082 119.800 0.207 0.000 2.683 122 Q HA 0.399 4.742 4.340 0.004 0.000 0.302 122 Q C -0.703 175.490 176.000 0.321 0.000 1.042 122 Q CA -0.555 55.382 55.803 0.223 0.000 0.773 122 Q CB 1.676 30.537 28.738 0.204 0.000 1.508 122 Q HN 0.484 nan 8.270 nan 0.000 0.459 123 E N -0.084 120.299 120.200 0.304 0.000 2.343 123 E HA 0.672 5.025 4.350 0.004 0.000 0.270 123 E C -1.527 175.311 176.600 0.397 0.000 0.895 123 E CA -0.751 55.841 56.400 0.321 0.000 0.767 123 E CB 2.144 31.962 29.700 0.197 0.000 1.248 123 E HN 0.374 nan 8.360 nan 0.000 0.440 124 F N 1.293 121.412 119.950 0.280 0.000 2.507 124 F HA 0.511 5.037 4.527 -0.001 0.000 0.325 124 F C -1.152 174.771 175.800 0.205 0.000 1.116 124 F CA -0.147 58.033 58.000 0.301 0.000 0.930 124 F CB 2.372 41.584 39.000 0.354 0.000 1.146 124 F HN 0.495 nan 8.300 nan 0.000 0.447 125 T N 6.745 121.136 114.554 -0.270 0.000 2.893 125 T HA 0.689 5.041 4.350 0.004 0.000 0.293 125 T C -1.456 173.154 174.700 -0.150 0.000 1.027 125 T CA -0.374 61.632 62.100 -0.156 0.000 0.988 125 T CB 1.487 70.264 68.868 -0.151 0.000 1.043 125 T HN 0.480 nan 8.240 nan 0.000 0.461 126 F N -0.513 119.326 119.950 -0.184 0.000 2.686 126 F HA 0.795 5.328 4.527 0.010 0.000 0.311 126 F C -1.611 174.102 175.800 -0.145 0.000 1.128 126 F CA -1.281 56.638 58.000 -0.136 0.000 0.946 126 F CB 0.880 39.876 39.000 -0.007 0.000 1.336 126 F HN 0.244 nan 8.300 nan 0.000 0.457 127 D N 1.217 121.587 120.400 -0.051 0.000 2.181 127 D HA 0.619 5.262 4.640 0.004 0.000 0.248 127 D C -1.134 175.144 176.300 -0.037 0.000 1.020 127 D CA -0.330 53.560 54.000 -0.182 0.000 0.891 127 D CB 2.330 43.067 40.800 -0.104 0.000 1.187 127 D HN 0.629 nan 8.370 nan 0.000 0.443 128 V N 1.016 120.726 119.914 -0.340 0.000 2.888 128 V HA 0.403 4.526 4.120 0.004 0.000 0.309 128 V C -1.826 174.043 176.094 -0.375 0.000 1.114 128 V CA -0.685 61.445 62.300 -0.283 0.000 0.940 128 V CB 2.461 34.119 31.823 -0.275 0.000 1.021 128 V HN 0.493 nan 8.190 nan 0.000 0.426 129 D N 5.405 125.663 120.400 -0.235 0.000 2.471 129 D HA 0.463 5.106 4.640 0.004 0.000 0.245 129 D C 0.094 176.332 176.300 -0.103 0.000 1.116 129 D CA -0.348 53.565 54.000 -0.144 0.000 0.853 129 D CB 1.634 42.379 40.800 -0.093 0.000 1.123 129 D HN 0.528 nan 8.370 nan 0.000 0.540 130 M N 2.151 121.739 119.600 -0.020 0.000 2.405 130 M HA 0.044 4.526 4.480 0.004 0.000 0.292 130 M C 1.671 177.985 176.300 0.023 0.000 1.111 130 M CA -0.244 55.069 55.300 0.022 0.000 0.979 130 M CB 0.537 33.211 32.600 0.124 0.000 1.426 130 M HN 0.351 nan 8.290 nan 0.000 0.509 131 S N 1.018 116.728 115.700 0.017 0.000 2.402 131 S HA -0.158 4.314 4.470 0.004 0.000 0.233 131 S C 0.953 175.552 174.600 -0.002 0.000 1.030 131 S CA 1.460 59.669 58.200 0.014 0.000 1.003 131 S CB -0.673 62.534 63.200 0.012 0.000 0.813 131 S HN 0.636 nan 8.310 nan 0.000 0.477 132 N N 0.438 119.131 118.700 -0.012 0.000 2.389 132 N HA 0.419 5.161 4.740 0.004 0.000 0.260 132 N C -1.109 174.382 175.510 -0.032 0.000 1.191 132 N CA -0.169 52.871 53.050 -0.015 0.000 0.885 132 N CB 0.858 39.341 38.487 -0.006 0.000 1.162 132 N HN 0.215 nan 8.380 nan 0.000 0.512 133 L N 1.663 122.860 121.223 -0.044 0.000 2.433 133 L HA 0.525 4.867 4.340 0.004 0.000 0.256 133 L C -2.610 174.201 176.870 -0.099 0.000 1.063 133 L CA -2.052 52.740 54.840 -0.079 0.000 0.922 133 L CB 0.857 42.878 42.059 -0.063 0.000 1.238 133 L HN -0.041 nan 8.230 nan 0.000 0.466 134 P HA 0.192 nan 4.420 nan 0.000 0.293 134 P C -0.176 177.019 177.300 -0.174 0.000 1.304 134 P CA -0.609 62.417 63.100 -0.124 0.000 0.767 134 P CB 0.736 32.375 31.700 -0.100 0.000 1.247 135 c N -0.647 117.855 118.600 -0.164 0.000 2.430 135 c HA 0.254 4.826 4.570 0.004 0.000 0.393 135 c C 2.070 176.022 174.090 -0.229 0.000 1.414 135 c CA 2.176 58.386 56.329 -0.199 0.000 1.606 135 c CB -1.712 40.702 42.510 -0.160 0.000 2.562 135 c HN 0.984 nan 8.230 nan 0.000 0.593 136 G N 2.216 110.846 108.800 -0.283 0.000 2.199 136 G HA2 -0.219 3.744 3.960 0.004 0.000 0.254 136 G HA3 -0.219 3.744 3.960 0.004 0.000 0.254 136 G C -0.052 174.611 174.900 -0.396 0.000 0.982 136 G CA 0.390 45.307 45.100 -0.305 0.000 0.632 136 G HN 0.664 nan 8.290 nan 0.000 0.529 137 L N -0.287 120.682 121.223 -0.422 0.000 2.304 137 L HA 0.718 5.061 4.340 0.004 0.000 0.268 137 L C -0.142 176.423 176.870 -0.509 0.000 1.010 137 L CA -1.223 53.308 54.840 -0.515 0.000 0.813 137 L CB 1.835 43.576 42.059 -0.529 0.000 1.315 137 L HN 0.131 nan 8.230 nan 0.000 0.445 138 N N 0.093 118.465 118.700 -0.547 0.000 2.454 138 N HA 0.379 5.121 4.740 0.004 0.000 0.291 138 N C -1.007 174.455 175.510 -0.079 0.000 1.079 138 N CA -0.300 52.490 53.050 -0.433 0.000 0.893 138 N CB 2.301 40.289 38.487 -0.831 0.000 1.512 138 N HN 0.700 nan 8.380 nan 0.000 0.497 139 G N 1.452 110.311 108.800 0.098 0.000 2.347 139 G HA2 0.696 4.658 3.960 0.004 0.000 0.314 139 G HA3 0.696 4.658 3.960 0.004 0.000 0.314 139 G C -0.853 174.412 174.900 0.608 0.000 1.126 139 G CA -0.409 44.898 45.100 0.345 0.000 0.929 139 G HN 0.636 nan 8.290 nan 0.000 0.441 140 A N 2.651 125.890 122.820 0.699 0.000 2.365 140 A HA 0.836 5.159 4.320 0.004 0.000 0.318 140 A C -1.001 176.849 177.584 0.442 0.000 1.091 140 A CA -0.714 51.704 52.037 0.635 0.000 0.763 140 A CB 1.796 21.192 19.000 0.660 0.000 1.248 140 A HN 1.003 nan 8.150 nan 0.000 0.442 141 L N 2.963 124.381 121.223 0.325 0.000 2.406 141 L HA 0.805 5.148 4.340 0.004 0.000 0.272 141 L C -1.591 175.379 176.870 0.167 0.000 0.980 141 L CA -0.660 54.109 54.840 -0.118 0.000 0.831 141 L CB 1.509 43.177 42.059 -0.653 0.000 1.253 141 L HN 0.917 nan 8.230 nan 0.000 0.406 142 Y N 3.077 123.320 120.300 -0.097 0.000 2.638 142 Y HA 0.733 5.284 4.550 0.002 0.000 0.335 142 Y C -2.015 173.835 175.900 -0.083 0.000 1.155 142 Y CA -1.527 56.557 58.100 -0.027 0.000 1.046 142 Y CB 1.231 39.742 38.460 0.084 0.000 1.303 142 Y HN 0.356 nan 8.280 nan 0.000 0.460 143 L N 2.303 123.581 121.223 0.091 0.000 2.329 143 L HA 0.782 5.124 4.340 0.004 0.000 0.279 143 L C -0.460 176.439 176.870 0.049 0.000 1.014 143 L CA -0.771 54.036 54.840 -0.056 0.000 0.814 143 L CB 2.117 44.107 42.059 -0.115 0.000 1.257 143 L HN 0.750 nan 8.230 nan 0.000 0.424 144 S N 0.880 116.549 115.700 -0.051 0.000 2.542 144 S HA 0.585 5.057 4.470 0.004 0.000 0.293 144 S C 0.046 174.577 174.600 -0.116 0.000 1.089 144 S CA -0.592 57.574 58.200 -0.058 0.000 0.961 144 S CB 1.994 65.135 63.200 -0.098 0.000 1.062 144 S HN 0.671 nan 8.310 nan 0.000 0.483 145 A N 3.216 125.975 122.820 -0.101 0.000 3.077 145 A HA 0.391 4.714 4.320 0.004 0.000 0.255 145 A C 0.199 177.722 177.584 -0.102 0.000 1.728 145 A CA -0.098 51.883 52.037 -0.092 0.000 1.383 145 A CB -0.901 18.060 19.000 -0.065 0.000 1.097 145 A HN 0.760 nan 8.150 nan 0.000 0.634 146 M N 0.448 119.967 119.600 -0.135 0.000 2.291 146 M HA 0.215 4.698 4.480 0.004 0.000 0.324 146 M C -0.272 176.001 176.300 -0.046 0.000 1.148 146 M CA -0.464 54.764 55.300 -0.120 0.000 1.104 146 M CB 0.579 33.032 32.600 -0.245 0.000 1.483 146 M HN 0.318 nan 8.290 nan 0.000 0.467 147 D N 0.792 121.199 120.400 0.012 0.000 2.341 147 D HA 0.174 4.817 4.640 0.004 0.000 0.245 147 D C 0.529 176.902 176.300 0.122 0.000 1.106 147 D CA 0.084 54.108 54.000 0.040 0.000 0.905 147 D CB 1.419 42.235 40.800 0.026 0.000 1.202 147 D HN 0.719 nan 8.370 nan 0.000 0.426 148 A N 2.210 125.090 122.820 0.100 0.000 2.019 148 A HA -0.181 4.141 4.320 0.004 0.000 0.219 148 A C 1.209 178.795 177.584 0.003 0.000 1.164 148 A CA 1.332 53.457 52.037 0.146 0.000 0.644 148 A CB -0.125 18.953 19.000 0.130 0.000 0.805 148 A HN 0.579 nan 8.150 nan 0.000 0.449 149 D N -2.364 118.007 120.400 -0.048 0.000 2.358 149 D HA 0.300 4.943 4.640 0.004 0.000 0.224 149 D C 1.056 177.268 176.300 -0.146 0.000 1.123 149 D CA 0.541 54.422 54.000 -0.199 0.000 0.833 149 D CB -0.680 40.032 40.800 -0.146 0.000 0.946 149 D HN 0.648 nan 8.370 nan 0.000 0.505 150 G N -0.243 108.547 108.800 -0.017 0.000 2.155 150 G HA2 -0.158 3.804 3.960 0.004 0.000 0.257 150 G HA3 -0.158 3.804 3.960 0.004 0.000 0.257 150 G C 1.159 176.130 174.900 0.118 0.000 0.983 150 G CA 0.428 45.594 45.100 0.110 0.000 0.676 150 G HN 1.439 nan 8.290 nan 0.000 0.528 151 G N -1.334 107.517 108.800 0.086 0.000 2.179 151 G HA2 -0.241 3.721 3.960 0.004 0.000 0.220 151 G HA3 -0.241 3.721 3.960 0.004 0.000 0.220 151 G C 1.247 176.179 174.900 0.053 0.000 0.990 151 G CA 0.947 46.126 45.100 0.132 0.000 0.646 151 G HN 0.767 nan 8.290 nan 0.000 0.517 152 M N 1.334 120.938 119.600 0.007 0.000 2.108 152 M HA -0.136 4.347 4.480 0.004 0.000 0.261 152 M C 2.900 179.164 176.300 -0.060 0.000 1.066 152 M CA 2.541 57.832 55.300 -0.014 0.000 1.107 152 M CB -0.372 32.202 32.600 -0.044 0.000 1.356 152 M HN 0.642 nan 8.290 nan 0.000 0.406 153 S N -0.189 115.452 115.700 -0.098 0.000 2.406 153 S HA -0.082 4.390 4.470 0.004 0.000 0.228 153 S C 1.725 176.215 174.600 -0.182 0.000 1.020 153 S CA 0.810 58.943 58.200 -0.112 0.000 0.965 153 S CB -0.251 62.895 63.200 -0.091 0.000 0.798 153 S HN 0.445 nan 8.310 nan 0.000 0.488 154 K N -0.230 119.960 120.400 -0.349 0.000 2.186 154 K HA 0.132 4.454 4.320 0.004 0.000 0.202 154 K C -0.621 175.627 176.600 -0.588 0.000 1.052 154 K CA 0.592 56.517 56.287 -0.604 0.000 0.965 154 K CB 0.063 31.902 32.500 -1.101 0.000 0.746 154 K HN 0.444 nan 8.250 nan 0.000 0.457 155 Y N -0.019 120.263 120.300 -0.030 0.000 2.376 155 Y HA 0.245 4.797 4.550 0.004 0.000 0.326 155 Y C -2.142 173.737 175.900 -0.034 0.000 0.970 155 Y CA -3.115 54.966 58.100 -0.032 0.000 1.248 155 Y CB 1.288 39.730 38.460 -0.030 0.000 1.117 155 Y HN -0.072 nan 8.280 nan 0.000 0.476 156 P HA -0.110 nan 4.420 nan 0.000 0.219 156 P C 1.602 178.921 177.300 0.031 0.000 1.146 156 P CA 1.593 64.716 63.100 0.039 0.000 0.808 156 P CB 0.386 32.100 31.700 0.023 0.000 0.779 157 G N -1.086 107.742 108.800 0.047 0.000 2.598 157 G HA2 -0.172 3.791 3.960 0.004 0.000 0.215 157 G HA3 -0.172 3.791 3.960 0.004 0.000 0.215 157 G C 0.740 175.631 174.900 -0.015 0.000 1.131 157 G CA 0.121 45.227 45.100 0.011 0.000 0.785 157 G HN 0.260 nan 8.290 nan 0.000 0.539 158 N N 0.400 119.109 118.700 0.015 0.000 2.527 158 N HA 0.206 4.949 4.740 0.004 0.000 0.236 158 N C 0.739 176.229 175.510 -0.034 0.000 0.999 158 N CA -0.443 52.595 53.050 -0.020 0.000 0.935 158 N CB 0.821 39.340 38.487 0.054 0.000 1.132 158 N HN -0.102 nan 8.380 nan 0.000 0.511 159 K N 1.881 122.232 120.400 -0.081 0.000 2.372 159 K HA 0.235 4.557 4.320 0.004 0.000 0.200 159 K C 0.694 177.250 176.600 -0.075 0.000 1.022 159 K CA 0.002 56.246 56.287 -0.072 0.000 1.125 159 K CB 0.824 33.274 32.500 -0.084 0.000 0.855 159 K HN 0.501 nan 8.250 nan 0.000 0.524 160 A N 1.194 123.960 122.820 -0.089 0.000 1.909 160 A HA 0.408 4.731 4.320 0.004 0.000 0.209 160 A C 1.112 178.779 177.584 0.139 0.000 1.247 160 A CA 1.105 53.129 52.037 -0.022 0.000 0.660 160 A CB -0.381 18.499 19.000 -0.199 0.000 0.910 160 A HN 0.330 nan 8.150 nan 0.000 0.465 161 G N -1.794 107.037 108.800 0.051 0.000 2.698 161 G HA2 0.135 4.097 3.960 0.004 0.000 0.233 161 G HA3 0.135 4.097 3.960 0.004 0.000 0.233 161 G C 1.060 175.943 174.900 -0.029 0.000 1.352 161 G CA 0.628 45.725 45.100 -0.005 0.000 0.879 161 G HN 1.526 nan 8.290 nan 0.000 0.567 162 A N -0.373 122.294 122.820 -0.255 0.000 2.024 162 A HA -0.037 4.285 4.320 0.004 0.000 0.220 162 A C 2.247 179.659 177.584 -0.288 0.000 1.164 162 A CA 2.697 54.397 52.037 -0.563 0.000 0.643 162 A CB -0.454 17.825 19.000 -1.203 0.000 0.806 162 A HN 1.172 nan 8.150 nan 0.000 0.451 163 K N -1.656 118.641 120.400 -0.172 0.000 2.211 163 K HA -0.170 4.152 4.320 0.004 0.000 0.204 163 K C 0.531 177.001 176.600 -0.217 0.000 1.047 163 K CA 1.618 57.824 56.287 -0.135 0.000 0.935 163 K CB -0.226 32.156 32.500 -0.197 0.000 0.728 163 K HN 0.617 nan 8.250 nan 0.000 0.452 164 Y N -0.748 119.612 120.300 0.100 0.000 2.584 164 Y HA 0.277 4.830 4.550 0.004 0.000 0.254 164 Y C 0.841 176.838 175.900 0.161 0.000 1.177 164 Y CA 0.010 58.182 58.100 0.120 0.000 1.216 164 Y CB 1.304 39.786 38.460 0.038 0.000 1.172 164 Y HN 0.207 nan 8.280 nan 0.000 0.529 165 G N 1.538 110.523 108.800 0.307 0.000 2.182 165 G HA2 -0.292 3.670 3.960 0.004 0.000 0.248 165 G HA3 -0.292 3.670 3.960 0.004 0.000 0.248 165 G C 0.229 175.381 174.900 0.421 0.000 1.042 165 G CA 0.348 45.726 45.100 0.463 0.000 0.775 165 G HN 0.437 nan 8.290 nan 0.000 0.501 166 T N -3.002 111.739 114.554 0.311 0.000 2.874 166 T HA 0.688 5.041 4.350 0.004 0.000 0.281 166 T C 1.498 176.333 174.700 0.226 0.000 0.994 166 T CA 0.661 62.901 62.100 0.234 0.000 1.015 166 T CB 1.940 70.892 68.868 0.141 0.000 1.028 166 T HN 2.098 nan 8.240 nan 0.000 0.523 167 G N -0.179 108.734 108.800 0.189 0.000 2.144 167 G HA2 -0.235 3.727 3.960 0.004 0.000 0.218 167 G HA3 -0.235 3.727 3.960 0.004 0.000 0.218 167 G C -0.163 174.794 174.900 0.093 0.000 0.988 167 G CA -0.065 45.121 45.100 0.143 0.000 0.659 167 G HN 1.086 nan 8.290 nan 0.000 0.522 168 Y N 1.277 121.583 120.300 0.010 0.000 2.788 168 Y HA 0.299 4.851 4.550 0.003 0.000 0.341 168 Y C 1.092 176.999 175.900 0.011 0.000 1.258 168 Y CA 0.351 58.448 58.100 -0.005 0.000 1.503 168 Y CB 0.329 38.868 38.460 0.132 0.000 1.325 168 Y HN 1.004 nan 8.280 nan 0.000 0.614 169 c N 4.271 122.436 118.600 -0.725 0.000 3.239 169 c HA 0.829 5.401 4.570 0.004 0.000 0.329 169 c C -1.306 172.307 174.090 -0.795 0.000 1.252 169 c CA -0.508 55.479 56.329 -0.570 0.000 1.323 169 c CB 1.209 43.565 42.510 -0.257 0.000 1.663 169 c HN 0.987 nan 8.230 nan 0.000 0.487 170 D N -0.126 119.994 120.400 -0.466 0.000 2.768 170 D HA 0.431 5.073 4.640 0.004 0.000 0.327 170 D C 0.460 176.644 176.300 -0.193 0.000 1.302 170 D CA 0.285 54.104 54.000 -0.303 0.000 0.897 170 D CB 0.768 41.423 40.800 -0.242 0.000 1.420 170 D HN 0.944 nan 8.370 nan 0.000 0.494 171 S N -1.349 114.231 115.700 -0.200 0.000 2.603 171 S HA -0.065 4.408 4.470 0.004 0.000 0.220 171 S C 0.737 175.243 174.600 -0.156 0.000 0.967 171 S CA 0.279 58.381 58.200 -0.164 0.000 0.920 171 S CB -0.313 62.771 63.200 -0.193 0.000 0.773 171 S HN 0.420 nan 8.310 nan 0.000 0.529 172 Q N 0.148 119.847 119.800 -0.168 0.000 2.319 172 Q HA 0.277 4.619 4.340 0.004 0.000 0.202 172 Q C 0.495 176.441 176.000 -0.089 0.000 0.896 172 Q CA -0.025 55.699 55.803 -0.132 0.000 0.942 172 Q CB -0.792 27.863 28.738 -0.138 0.000 1.083 172 Q HN 0.644 nan 8.270 nan 0.000 0.510 173 c N 2.770 121.320 118.600 -0.084 0.000 3.744 173 c HA -0.116 4.457 4.570 0.004 0.000 0.290 173 c C -1.922 172.152 174.090 -0.026 0.000 1.385 173 c CA -0.795 55.501 56.329 -0.055 0.000 2.099 173 c CB -2.184 40.295 42.510 -0.051 0.000 1.359 173 c HN 0.356 nan 8.230 nan 0.000 0.629 174 P HA 0.100 nan 4.420 nan 0.000 0.268 174 P C 0.392 177.714 177.300 0.037 0.000 1.204 174 P CA 0.751 63.863 63.100 0.021 0.000 0.768 174 P CB 0.622 32.369 31.700 0.078 0.000 0.842 175 K N 1.385 121.793 120.400 0.014 0.000 2.358 175 K HA 0.018 4.340 4.320 0.004 0.000 0.197 175 K C 0.923 177.535 176.600 0.020 0.000 1.025 175 K CA 0.215 56.516 56.287 0.022 0.000 1.104 175 K CB 0.218 32.707 32.500 -0.019 0.000 0.855 175 K HN 0.512 nan 8.250 nan 0.000 0.531 176 D N 0.583 120.991 120.400 0.012 0.000 2.340 176 D HA -0.056 4.586 4.640 0.004 0.000 0.220 176 D C 0.427 176.793 176.300 0.109 0.000 1.039 176 D CA 0.041 54.046 54.000 0.007 0.000 0.866 176 D CB 0.177 40.942 40.800 -0.057 0.000 0.913 176 D HN -0.048 nan 8.370 nan 0.000 0.523 177 I N 1.592 122.244 120.570 0.136 0.000 2.416 177 I HA 0.069 4.241 4.170 0.004 0.000 0.288 177 I C 1.549 177.773 176.117 0.178 0.000 1.051 177 I CA -0.289 61.104 61.300 0.155 0.000 1.375 177 I CB 1.153 39.266 38.000 0.187 0.000 1.407 177 I HN -0.144 nan 8.210 nan 0.000 0.516 178 K N 4.452 124.925 120.400 0.123 0.000 2.062 178 K HA 0.018 4.341 4.320 0.004 0.000 0.205 178 K C -0.195 176.253 176.600 -0.253 0.000 1.051 178 K CA 1.356 57.652 56.287 0.015 0.000 0.941 178 K CB 0.094 32.505 32.500 -0.148 0.000 0.719 178 K HN 0.291 nan 8.250 nan 0.000 0.440 179 F N 0.768 120.786 119.950 0.115 0.000 2.467 179 F HA 0.433 4.962 4.527 0.004 0.000 0.336 179 F C -0.270 175.533 175.800 0.004 0.000 1.123 179 F CA -0.871 57.154 58.000 0.042 0.000 0.964 179 F CB 1.241 40.259 39.000 0.029 0.000 1.136 179 F HN -0.215 nan 8.300 nan 0.000 0.447 180 I N 3.348 123.954 120.570 0.061 0.000 2.534 180 I HA 0.296 4.469 4.170 0.004 0.000 0.288 180 I C -0.556 175.384 176.117 -0.295 0.000 1.077 180 I CA -0.964 60.285 61.300 -0.085 0.000 1.051 180 I CB 1.786 39.738 38.000 -0.080 0.000 1.234 180 I HN 0.578 nan 8.210 nan 0.000 0.425 181 N N 4.054 122.401 118.700 -0.589 0.000 2.747 181 N HA -0.177 4.566 4.740 0.004 0.000 0.249 181 N C 0.798 175.891 175.510 -0.695 0.000 1.107 181 N CA 1.516 53.752 53.050 -1.358 0.000 0.707 181 N CB -1.068 36.833 38.487 -0.977 0.000 1.054 181 N HN 1.195 nan 8.380 nan 0.000 0.555 182 G N -1.330 107.296 108.800 -0.290 0.000 2.153 182 G HA2 -0.317 3.646 3.960 0.004 0.000 0.252 182 G HA3 -0.317 3.646 3.960 0.004 0.000 0.252 182 G C -0.299 174.599 174.900 -0.004 0.000 0.994 182 G CA 0.725 45.795 45.100 -0.051 0.000 0.698 182 G HN 0.580 nan 8.290 nan 0.000 0.521 183 E N -0.494 119.701 120.200 -0.009 0.000 2.293 183 E HA 0.654 5.006 4.350 0.004 0.000 0.270 183 E C 0.288 176.888 176.600 -0.000 0.000 0.879 183 E CA -0.476 55.926 56.400 0.004 0.000 0.756 183 E CB 1.807 31.460 29.700 -0.078 0.000 1.208 183 E HN 0.685 nan 8.360 nan 0.000 0.428 184 A N 2.224 124.962 122.820 -0.137 0.000 2.477 184 A HA 0.048 4.370 4.320 0.004 0.000 0.246 184 A C 0.353 177.661 177.584 -0.460 0.000 1.078 184 A CA -0.112 51.548 52.037 -0.628 0.000 0.770 184 A CB -0.057 18.371 19.000 -0.953 0.000 1.011 184 A HN 0.554 nan 8.150 nan 0.000 0.494 185 N N 2.289 120.761 118.700 -0.381 0.000 3.243 185 N HA 0.118 4.861 4.740 0.004 0.000 0.310 185 N C 0.807 176.260 175.510 -0.094 0.000 1.313 185 N CA 0.439 53.449 53.050 -0.066 0.000 1.204 185 N CB -0.140 38.426 38.487 0.132 0.000 1.483 185 N HN 0.512 nan 8.380 nan 0.000 0.553 186 V N -2.212 117.467 119.914 -0.392 0.000 3.541 186 V HA 0.402 4.525 4.120 0.004 0.000 0.267 186 V C 1.180 177.214 176.094 -0.099 0.000 1.213 186 V CA -0.012 61.996 62.300 -0.487 0.000 1.149 186 V CB -0.756 30.530 31.823 -0.895 0.000 0.822 186 V HN 0.269 nan 8.190 nan 0.000 0.462 187 G N 1.154 109.919 108.800 -0.058 0.000 2.343 187 G HA2 0.231 4.194 3.960 0.004 0.000 0.254 187 G HA3 0.231 4.194 3.960 0.004 0.000 0.254 187 G C 0.350 175.258 174.900 0.014 0.000 1.277 187 G CA 0.361 45.430 45.100 -0.051 0.000 0.909 187 G HN 0.608 nan 8.290 nan 0.000 0.502 188 N N 0.034 118.749 118.700 0.025 0.000 2.716 188 N HA -0.164 4.578 4.740 0.004 0.000 0.250 188 N C 0.262 175.838 175.510 0.111 0.000 1.033 188 N CA 0.714 53.788 53.050 0.040 0.000 0.727 188 N CB -0.822 37.649 38.487 -0.027 0.000 0.950 188 N HN 0.691 nan 8.380 nan 0.000 0.541 189 W N 0.835 122.133 121.300 -0.004 0.000 2.295 189 W HA 0.164 4.827 4.660 0.004 0.000 0.335 189 W C -0.572 175.983 176.519 0.059 0.000 1.351 189 W CA 0.467 57.850 57.345 0.065 0.000 1.273 189 W CB 0.365 29.927 29.460 0.170 0.000 1.214 189 W HN 0.137 nan 8.180 nan 0.000 0.563 190 T N 6.440 120.717 114.554 -0.462 0.000 2.841 190 T HA 0.148 4.501 4.350 0.004 0.000 0.285 190 T C -0.617 173.782 174.700 -0.501 0.000 0.991 190 T CA -0.644 61.252 62.100 -0.341 0.000 0.966 190 T CB 1.523 70.244 68.868 -0.245 0.000 0.962 190 T HN 0.302 nan 8.240 nan 0.000 0.438 191 E N 1.504 121.566 120.200 -0.229 0.000 2.384 191 E HA 0.224 4.577 4.350 0.004 0.000 0.266 191 E C 0.758 177.267 176.600 -0.152 0.000 1.012 191 E CA -0.086 56.224 56.400 -0.150 0.000 0.901 191 E CB 0.594 30.282 29.700 -0.020 0.000 0.967 191 E HN 0.777 nan 8.360 nan 0.000 0.435 192 T N -0.790 113.676 114.554 -0.146 0.000 3.058 192 T HA 0.401 4.753 4.350 0.004 0.000 0.278 192 T C 0.492 175.139 174.700 -0.087 0.000 0.974 192 T CA -0.025 62.004 62.100 -0.118 0.000 0.893 192 T CB 0.762 69.537 68.868 -0.155 0.000 1.138 192 T HN 0.541 nan 8.240 nan 0.000 0.529 193 G N 0.891 109.649 108.800 -0.070 0.000 2.430 193 G HA2 0.409 4.371 3.960 0.004 0.000 0.300 193 G HA3 0.409 4.371 3.960 0.004 0.000 0.300 193 G C 0.539 175.429 174.900 -0.018 0.000 1.330 193 G CA 0.115 45.188 45.100 -0.046 0.000 0.813 193 G HN 0.311 nan 8.290 nan 0.000 0.487 194 S N -0.855 114.846 115.700 0.002 0.000 2.383 194 S HA -0.097 4.376 4.470 0.004 0.000 0.229 194 S C 1.217 175.818 174.600 0.003 0.000 1.030 194 S CA 2.023 60.227 58.200 0.007 0.000 1.002 194 S CB -0.164 63.047 63.200 0.018 0.000 0.829 194 S HN 0.457 nan 8.310 nan 0.000 0.467 195 N N 0.820 119.524 118.700 0.006 0.000 2.197 195 N HA 0.232 4.974 4.740 0.004 0.000 0.228 195 N C -0.605 174.962 175.510 0.096 0.000 1.212 195 N CA 0.403 53.476 53.050 0.038 0.000 0.883 195 N CB 1.639 40.139 38.487 0.022 0.000 1.107 195 N HN 0.658 nan 8.380 nan 0.000 0.519 196 T N -3.097 111.492 114.554 0.059 0.000 2.906 196 T HA 0.895 5.247 4.350 0.004 0.000 0.295 196 T C 0.091 174.816 174.700 0.042 0.000 1.075 196 T CA -0.908 61.224 62.100 0.053 0.000 1.005 196 T CB 2.466 71.267 68.868 -0.111 0.000 1.136 196 T HN 0.006 nan 8.240 nan 0.000 0.498 197 G N 0.289 109.063 108.800 -0.042 0.000 2.663 197 G HA2 0.742 4.705 3.960 0.004 0.000 0.299 197 G HA3 0.742 4.705 3.960 0.004 0.000 0.299 197 G C -0.957 173.366 174.900 -0.962 0.000 1.372 197 G CA -0.361 44.371 45.100 -0.613 0.000 0.781 197 G HN 1.292 nan 8.290 nan 0.000 0.491 198 T N -2.555 111.253 114.554 -1.244 0.000 2.909 198 T HA 0.801 5.154 4.350 0.004 0.000 0.299 198 T C 0.244 174.589 174.700 -0.592 0.000 1.073 198 T CA 0.068 61.726 62.100 -0.737 0.000 0.999 198 T CB 1.891 70.556 68.868 -0.337 0.000 1.098 198 T HN 1.436 nan 8.240 nan 0.000 0.477 199 G N -0.027 108.730 108.800 -0.072 0.000 2.887 199 G HA2 0.508 4.471 3.960 0.004 0.000 0.277 199 G HA3 0.508 4.471 3.960 0.004 0.000 0.277 199 G C 0.905 175.805 174.900 0.001 0.000 1.346 199 G CA -0.223 44.968 45.100 0.151 0.000 1.058 199 G HN 1.100 nan 8.290 nan 0.000 0.535 200 S N -1.846 113.813 115.700 -0.068 0.000 2.489 200 S HA 0.180 4.653 4.470 0.004 0.000 0.228 200 S C 0.143 174.579 174.600 -0.273 0.000 0.995 200 S CA 0.406 58.468 58.200 -0.230 0.000 0.934 200 S CB -0.264 62.718 63.200 -0.364 0.000 0.771 200 S HN 0.340 nan 8.310 nan 0.000 0.522 201 Y N 0.844 121.141 120.300 -0.005 0.000 2.487 201 Y HA 0.754 5.306 4.550 0.004 0.000 0.337 201 Y C 0.850 176.744 175.900 -0.010 0.000 1.076 201 Y CA -0.805 57.285 58.100 -0.016 0.000 1.115 201 Y CB 1.421 39.864 38.460 -0.028 0.000 1.235 201 Y HN 0.185 nan 8.280 nan 0.000 0.468 202 G N -0.485 108.414 108.800 0.164 0.000 2.568 202 G HA2 0.519 4.482 3.960 0.004 0.000 0.313 202 G HA3 0.519 4.482 3.960 0.004 0.000 0.313 202 G C -1.340 173.588 174.900 0.047 0.000 1.227 202 G CA -0.844 44.303 45.100 0.078 0.000 0.979 202 G HN 0.477 nan 8.290 nan 0.000 0.486 203 T N -0.933 113.630 114.554 0.016 0.000 2.890 203 T HA 0.490 4.843 4.350 0.004 0.000 0.295 203 T C -0.711 173.951 174.700 -0.065 0.000 0.993 203 T CA -0.436 61.651 62.100 -0.022 0.000 0.979 203 T CB -0.172 68.691 68.868 -0.009 0.000 0.967 203 T HN 0.625 nan 8.240 nan 0.000 0.441 204 c N 4.638 123.199 118.600 -0.065 0.000 2.493 204 c HA 0.966 5.538 4.570 0.004 0.000 0.326 204 c C 0.235 174.274 174.090 -0.085 0.000 1.200 204 c CA -0.878 55.403 56.329 -0.080 0.000 1.739 204 c CB -0.480 41.998 42.510 -0.053 0.000 2.300 204 c HN 1.197 nan 8.230 nan 0.000 0.500 205 c N 0.110 118.649 118.600 -0.100 0.000 3.292 205 c HA 0.714 5.286 4.570 0.004 0.000 0.338 205 c C -0.309 173.744 174.090 -0.062 0.000 1.323 205 c CA -0.586 55.695 56.329 -0.080 0.000 1.232 205 c CB 0.360 42.811 42.510 -0.099 0.000 1.517 205 c HN 0.799 nan 8.230 nan 0.000 0.470 206 S N 1.146 116.828 115.700 -0.030 0.000 2.579 206 S HA 0.488 4.961 4.470 0.004 0.000 0.275 206 S C -0.265 174.346 174.600 0.018 0.000 1.345 206 S CA 0.055 58.263 58.200 0.013 0.000 1.031 206 S CB 0.397 63.610 63.200 0.021 0.000 0.892 206 S HN 0.923 nan 8.310 nan 0.000 0.529 207 E N 0.935 121.187 120.200 0.085 0.000 2.331 207 E HA 0.501 4.853 4.350 0.004 0.000 0.275 207 E C -1.558 175.179 176.600 0.229 0.000 0.895 207 E CA -0.808 55.663 56.400 0.120 0.000 0.753 207 E CB 1.224 30.947 29.700 0.038 0.000 1.216 207 E HN 0.440 nan 8.360 nan 0.000 0.434 208 M N 4.104 123.837 119.600 0.222 0.000 2.078 208 M HA 0.348 4.830 4.480 0.004 0.000 0.320 208 M C -1.775 174.723 176.300 0.332 0.000 0.969 208 M CA -0.432 55.034 55.300 0.277 0.000 0.929 208 M CB 1.318 34.036 32.600 0.197 0.000 1.504 208 M HN 0.312 nan 8.290 nan 0.000 0.419 209 D N 6.371 127.002 120.400 0.385 0.000 2.453 209 D HA 0.206 4.848 4.640 0.004 0.000 0.223 209 D C 1.187 177.754 176.300 0.445 0.000 1.183 209 D CA 0.207 54.435 54.000 0.381 0.000 0.933 209 D CB 0.375 41.376 40.800 0.336 0.000 1.038 209 D HN 0.723 nan 8.370 nan 0.000 0.513 210 I N 0.364 121.183 120.570 0.415 0.000 2.286 210 I HA -0.088 4.085 4.170 0.004 0.000 0.248 210 I C 0.917 177.427 176.117 0.656 0.000 1.115 210 I CA 0.901 62.472 61.300 0.451 0.000 1.392 210 I CB 0.313 38.478 38.000 0.275 0.000 1.065 210 I HN 0.338 nan 8.210 nan 0.000 0.418 211 W N 1.867 123.385 121.300 0.364 0.000 3.423 211 W HA 0.364 5.022 4.660 -0.004 0.000 0.330 211 W C -1.542 175.227 176.519 0.417 0.000 1.102 211 W CA -0.532 57.077 57.345 0.441 0.000 1.261 211 W CB 1.438 31.201 29.460 0.505 0.000 1.283 211 W HN -0.119 nan 8.180 nan 0.000 0.447 212 E N 3.885 124.103 120.200 0.030 0.000 2.241 212 E HA 0.709 5.062 4.350 0.004 0.000 0.263 212 E C -0.711 175.703 176.600 -0.310 0.000 0.882 212 E CA -0.399 56.024 56.400 0.039 0.000 0.769 212 E CB 2.174 32.052 29.700 0.297 0.000 1.185 212 E HN 0.432 nan 8.360 nan 0.000 0.415 213 A N 3.227 125.852 122.820 -0.325 0.000 2.586 213 A HA 0.637 4.959 4.320 0.004 0.000 0.291 213 A C -1.582 175.900 177.584 -0.169 0.000 1.062 213 A CA -0.975 50.834 52.037 -0.378 0.000 0.666 213 A CB 1.446 19.983 19.000 -0.772 0.000 1.281 213 A HN 0.687 nan 8.150 nan 0.000 0.421 214 N N -0.963 117.645 118.700 -0.153 0.000 2.902 214 N HA 0.374 5.116 4.740 0.004 0.000 0.268 214 N C -0.002 175.489 175.510 -0.032 0.000 1.450 214 N CA -0.255 52.736 53.050 -0.098 0.000 0.819 214 N CB 0.257 38.631 38.487 -0.188 0.000 1.540 214 N HN 0.505 nan 8.380 nan 0.000 0.545 215 N N -1.368 117.320 118.700 -0.020 0.000 2.609 215 N HA -0.113 4.630 4.740 0.004 0.000 0.190 215 N C 0.124 175.618 175.510 -0.026 0.000 1.157 215 N CA 1.029 54.089 53.050 0.016 0.000 0.918 215 N CB -0.082 38.414 38.487 0.016 0.000 0.978 215 N HN 0.754 nan 8.380 nan 0.000 0.448 216 D N -1.077 119.275 120.400 -0.080 0.000 2.338 216 D HA 0.354 4.997 4.640 0.004 0.000 0.208 216 D C -0.237 175.986 176.300 -0.129 0.000 0.997 216 D CA 0.504 54.435 54.000 -0.114 0.000 0.880 216 D CB 0.382 41.084 40.800 -0.165 0.000 0.980 216 D HN 0.373 nan 8.370 nan 0.000 0.509 217 A N -0.550 122.192 122.820 -0.131 0.000 2.599 217 A HA 0.758 5.080 4.320 0.004 0.000 0.294 217 A C -1.681 175.821 177.584 -0.137 0.000 1.055 217 A CA -0.243 51.718 52.037 -0.127 0.000 0.683 217 A CB 1.269 20.135 19.000 -0.223 0.000 1.278 217 A HN 0.197 nan 8.150 nan 0.000 0.412 218 A N -0.139 122.633 122.820 -0.080 0.000 2.515 218 A HA 1.039 5.361 4.320 0.004 0.000 0.298 218 A C -0.441 177.156 177.584 0.023 0.000 1.059 218 A CA 0.047 51.975 52.037 -0.180 0.000 0.698 218 A CB 1.408 20.236 19.000 -0.287 0.000 1.289 218 A HN 2.650 nan 8.150 nan 0.000 0.404 219 A N 0.710 123.552 122.820 0.038 0.000 2.515 219 A HA 0.899 5.221 4.320 0.004 0.000 0.298 219 A C -1.043 176.775 177.584 0.390 0.000 1.059 219 A CA -0.513 51.666 52.037 0.237 0.000 0.698 219 A CB 0.934 20.070 19.000 0.226 0.000 1.289 219 A HN 1.943 nan 8.150 nan 0.000 0.404 220 F N -0.667 119.457 119.950 0.291 0.000 2.565 220 F HA 0.891 5.416 4.527 -0.002 0.000 0.313 220 F C -0.499 175.448 175.800 0.246 0.000 1.091 220 F CA -0.838 57.338 58.000 0.293 0.000 0.915 220 F CB 2.131 41.320 39.000 0.315 0.000 1.208 220 F HN 0.337 nan 8.300 nan 0.000 0.453 221 T N 3.734 118.482 114.554 0.324 0.000 3.355 221 T HA 0.339 4.691 4.350 0.004 0.000 0.324 221 T C -3.164 171.616 174.700 0.133 0.000 0.932 221 T CA -1.041 61.124 62.100 0.108 0.000 1.032 221 T CB 1.824 70.722 68.868 0.050 0.000 1.027 221 T HN 0.431 nan 8.240 nan 0.000 0.456 222 P HA 0.238 nan 4.420 nan 0.000 0.276 222 P C -0.830 176.526 177.300 0.094 0.000 1.230 222 P CA -0.329 62.908 63.100 0.227 0.000 0.776 222 P CB 0.542 32.461 31.700 0.366 0.000 0.888 223 H N 3.670 122.888 119.070 0.248 0.000 2.736 223 H HA 0.278 4.838 4.556 0.005 0.000 0.271 223 H C -2.190 173.223 175.328 0.141 0.000 1.184 223 H CA -1.796 54.374 56.048 0.203 0.000 1.378 223 H CB 1.307 31.133 29.762 0.105 0.000 1.428 223 H HN 0.345 nan 8.280 nan 0.000 0.500 224 P HA 0.173 nan 4.420 nan 0.000 0.277 224 P C -0.128 177.203 177.300 0.052 0.000 1.240 224 P CA -0.296 62.847 63.100 0.071 0.000 0.798 224 P CB 1.325 32.978 31.700 -0.078 0.000 0.979 225 c N 0.655 119.266 118.600 0.019 0.000 2.707 225 c HA 0.380 4.953 4.570 0.004 0.000 0.313 225 c C 2.022 176.107 174.090 -0.008 0.000 1.209 225 c CA -0.033 56.300 56.329 0.005 0.000 1.635 225 c CB 1.392 43.899 42.510 -0.005 0.000 2.206 225 c HN 0.695 nan 8.230 nan 0.000 0.485 226 T N -1.962 112.587 114.554 -0.008 0.000 3.072 226 T HA -0.024 4.329 4.350 0.004 0.000 0.266 226 T C 0.739 175.432 174.700 -0.011 0.000 1.127 226 T CA 1.206 63.300 62.100 -0.010 0.000 1.107 226 T CB -0.157 68.709 68.868 -0.003 0.000 0.910 226 T HN 0.729 nan 8.240 nan 0.000 0.513 227 T N 1.038 115.584 114.554 -0.013 0.000 2.884 227 T HA 0.478 4.830 4.350 0.004 0.000 0.277 227 T C -0.760 173.930 174.700 -0.016 0.000 0.976 227 T CA -0.480 61.612 62.100 -0.013 0.000 0.956 227 T CB 1.303 70.163 68.868 -0.014 0.000 1.113 227 T HN 0.192 nan 8.240 nan 0.000 0.554 228 T N 1.873 116.417 114.554 -0.016 0.000 2.934 228 T HA 0.652 5.005 4.350 0.004 0.000 0.328 228 T C 0.039 174.726 174.700 -0.021 0.000 1.068 228 T CA 0.195 62.283 62.100 -0.019 0.000 1.018 228 T CB 0.290 69.147 68.868 -0.018 0.000 1.009 228 T HN 1.233 nan 8.240 nan 0.000 0.471 229 G N 2.522 111.306 108.800 -0.026 0.000 2.685 229 G HA2 -0.110 3.853 3.960 0.004 0.000 0.387 229 G HA3 -0.110 3.853 3.960 0.004 0.000 0.387 229 G C -0.716 174.169 174.900 -0.025 0.000 1.324 229 G CA -1.013 44.070 45.100 -0.028 0.000 0.878 229 G HN 0.731 nan 8.290 nan 0.000 0.527 230 Q N 0.391 120.180 119.800 -0.017 0.000 2.289 230 Q HA 0.466 4.808 4.340 0.004 0.000 0.273 230 Q C -0.402 175.611 176.000 0.021 0.000 1.029 230 Q CA 0.961 56.759 55.803 -0.009 0.000 0.896 230 Q CB 0.145 28.892 28.738 0.015 0.000 1.182 230 Q HN 0.668 nan 8.270 nan 0.000 0.385 231 T N 5.186 119.738 114.554 -0.003 0.000 2.921 231 T HA 0.354 4.706 4.350 0.004 0.000 0.297 231 T C -0.476 174.210 174.700 -0.024 0.000 1.013 231 T CA -0.670 61.431 62.100 0.001 0.000 0.990 231 T CB 1.425 70.288 68.868 -0.007 0.000 1.023 231 T HN 0.567 nan 8.240 nan 0.000 0.447 232 R N 1.618 122.089 120.500 -0.049 0.000 2.390 232 R HA 0.586 4.928 4.340 0.004 0.000 0.291 232 R C -0.137 176.147 176.300 -0.027 0.000 1.070 232 R CA -0.456 55.592 56.100 -0.087 0.000 1.014 232 R CB 0.047 30.203 30.300 -0.239 0.000 1.007 232 R HN 0.899 nan 8.270 nan 0.000 0.466 233 c N 0.839 119.461 118.600 0.036 0.000 2.667 233 c HA 0.867 5.440 4.570 0.004 0.000 0.323 233 c C -0.336 173.854 174.090 0.166 0.000 1.214 233 c CA -0.829 55.542 56.329 0.071 0.000 1.721 233 c CB 1.622 44.149 42.510 0.028 0.000 2.275 233 c HN 0.750 nan 8.230 nan 0.000 0.491 234 S N 0.211 115.986 115.700 0.125 0.000 2.564 234 S HA 0.785 5.257 4.470 0.004 0.000 0.274 234 S C 0.345 174.958 174.600 0.022 0.000 1.124 234 S CA 1.255 59.512 58.200 0.094 0.000 0.869 234 S CB 1.132 64.410 63.200 0.130 0.000 1.105 234 S HN 2.966 nan 8.310 nan 0.000 0.472 235 G N 3.561 112.351 108.800 -0.017 0.000 2.583 235 G HA2 -0.286 3.676 3.960 0.004 0.000 0.292 235 G HA3 -0.286 3.676 3.960 0.004 0.000 0.292 235 G C 0.233 175.120 174.900 -0.022 0.000 1.203 235 G CA 0.781 45.866 45.100 -0.024 0.000 0.987 235 G HN 0.764 nan 8.290 nan 0.000 0.554 236 D N 1.077 121.465 120.400 -0.020 0.000 2.310 236 D HA -0.001 4.642 4.640 0.004 0.000 0.212 236 D C 1.700 177.981 176.300 -0.032 0.000 0.965 236 D CA 1.183 55.166 54.000 -0.027 0.000 0.879 236 D CB -0.259 40.528 40.800 -0.022 0.000 0.921 236 D HN 0.469 nan 8.370 nan 0.000 0.510 237 D N 0.157 120.546 120.400 -0.019 0.000 2.264 237 D HA -0.066 4.577 4.640 0.004 0.000 0.208 237 D C 1.490 177.771 176.300 -0.031 0.000 0.966 237 D CA 0.435 54.422 54.000 -0.021 0.000 0.864 237 D CB 0.052 40.849 40.800 -0.004 0.000 0.933 237 D HN 0.250 nan 8.370 nan 0.000 0.499 238 c N 1.068 119.651 118.600 -0.028 0.000 2.626 238 c HA 0.405 4.978 4.570 0.004 0.000 0.266 238 c C 1.357 175.410 174.090 -0.061 0.000 1.317 238 c CA -0.972 55.335 56.329 -0.036 0.000 1.716 238 c CB -1.134 41.364 42.510 -0.021 0.000 1.819 238 c HN 0.194 nan 8.230 nan 0.000 0.578 239 A N 1.216 123.992 122.820 -0.074 0.000 2.462 239 A HA 0.349 4.671 4.320 0.004 0.000 0.243 239 A C 0.504 178.002 177.584 -0.143 0.000 1.076 239 A CA -0.062 51.917 52.037 -0.097 0.000 0.773 239 A CB 0.117 19.060 19.000 -0.096 0.000 1.010 239 A HN 0.620 nan 8.150 nan 0.000 0.493 240 R N 2.090 122.501 120.500 -0.147 0.000 2.484 240 R HA 0.025 4.368 4.340 0.004 0.000 0.293 240 R C 0.296 176.392 176.300 -0.339 0.000 1.023 240 R CA 0.642 56.630 56.100 -0.188 0.000 1.037 240 R CB -0.080 30.138 30.300 -0.138 0.000 0.951 240 R HN 0.982 nan 8.270 nan 0.000 0.418 241 N N 0.425 118.873 118.700 -0.421 0.000 2.292 241 N HA -0.267 4.476 4.740 0.004 0.000 0.219 241 N C 1.045 175.988 175.510 -0.944 0.000 1.011 241 N CA 2.653 55.199 53.050 -0.840 0.000 2.776 241 N CB -1.284 36.321 38.487 -1.470 0.000 0.819 241 N HN 0.777 nan 8.380 nan 0.000 0.457 242 T N -2.066 112.056 114.554 -0.719 0.000 3.081 242 T HA 0.357 4.709 4.350 0.004 0.000 0.255 242 T C 1.251 175.825 174.700 -0.211 0.000 1.113 242 T CA 1.007 62.830 62.100 -0.461 0.000 1.082 242 T CB -0.006 68.691 68.868 -0.284 0.000 0.939 242 T HN 0.517 nan 8.240 nan 0.000 0.506 243 G N 1.165 109.850 108.800 -0.192 0.000 2.666 243 G HA2 0.467 4.429 3.960 0.004 0.000 0.207 243 G HA3 0.467 4.429 3.960 0.004 0.000 0.207 243 G C 0.850 175.705 174.900 -0.074 0.000 1.481 243 G CA -0.595 44.442 45.100 -0.104 0.000 1.071 243 G HN 0.310 nan 8.290 nan 0.000 0.572 244 L N -0.791 120.401 121.223 -0.052 0.000 2.191 244 L HA 0.031 4.374 4.340 0.004 0.000 0.212 244 L C 0.603 177.455 176.870 -0.030 0.000 1.103 244 L CA 0.329 55.149 54.840 -0.033 0.000 0.769 244 L CB -0.412 41.630 42.059 -0.027 0.000 0.908 244 L HN 0.155 nan 8.230 nan 0.000 0.438 245 c N -0.738 117.834 118.600 -0.048 0.000 2.614 245 c HA 0.297 4.870 4.570 0.004 0.000 0.320 245 c C 0.217 174.295 174.090 -0.020 0.000 1.200 245 c CA -1.181 55.133 56.329 -0.025 0.000 1.700 245 c CB 1.738 44.226 42.510 -0.037 0.000 2.275 245 c HN 0.214 nan 8.230 nan 0.000 0.492 246 D N 0.734 121.173 120.400 0.065 0.000 2.422 246 D HA 0.327 4.969 4.640 0.004 0.000 0.227 246 D C 1.100 177.525 176.300 0.208 0.000 1.190 246 D CA 0.077 54.160 54.000 0.137 0.000 0.905 246 D CB 0.673 41.623 40.800 0.249 0.000 1.034 246 D HN 0.735 nan 8.370 nan 0.000 0.507 247 G N 3.075 111.921 108.800 0.078 0.000 2.511 247 G HA2 -0.177 3.786 3.960 0.004 0.000 0.217 247 G HA3 -0.177 3.786 3.960 0.004 0.000 0.217 247 G C 1.124 176.138 174.900 0.190 0.000 1.133 247 G CA 0.091 45.232 45.100 0.069 0.000 0.792 247 G HN 0.422 nan 8.290 nan 0.000 0.539 248 D N 0.364 120.879 120.400 0.191 0.000 2.183 248 D HA 0.219 4.861 4.640 0.004 0.000 0.205 248 D C 1.812 178.174 176.300 0.102 0.000 0.962 248 D CA 1.168 55.269 54.000 0.168 0.000 0.849 248 D CB -0.082 40.845 40.800 0.211 0.000 0.978 248 D HN 0.442 nan 8.370 nan 0.000 0.488 249 G N -0.172 108.666 108.800 0.065 0.000 2.796 249 G HA2 -0.255 3.707 3.960 0.004 0.000 0.226 249 G HA3 -0.255 3.707 3.960 0.004 0.000 0.226 249 G C -0.257 174.539 174.900 -0.172 0.000 1.381 249 G CA -0.331 44.612 45.100 -0.261 0.000 0.867 249 G HN 0.498 nan 8.290 nan 0.000 0.552 250 C N 2.399 121.477 119.300 -0.371 0.000 2.301 250 C HA 0.639 5.101 4.460 0.004 0.000 0.313 250 C C 0.180 175.044 174.990 -0.210 0.000 1.121 250 C CA -0.338 58.419 59.018 -0.434 0.000 1.507 250 C CB -1.166 25.965 27.740 -1.014 0.000 1.975 250 C HN 0.892 nan 8.230 nan 0.000 0.425 251 D N 2.920 123.272 120.400 -0.080 0.000 2.225 251 D HA 0.283 4.925 4.640 0.004 0.000 0.249 251 D C -0.967 175.352 176.300 0.031 0.000 1.052 251 D CA -0.382 53.606 54.000 -0.020 0.000 0.909 251 D CB 1.394 42.227 40.800 0.054 0.000 1.186 251 D HN 0.423 nan 8.370 nan 0.000 0.431 252 F N 1.968 121.731 119.950 -0.311 0.000 2.500 252 F HA 0.278 4.823 4.527 0.030 0.000 0.349 252 F C -0.973 174.741 175.800 -0.144 0.000 1.127 252 F CA -0.994 56.808 58.000 -0.330 0.000 0.998 252 F CB 1.077 39.556 39.000 -0.868 0.000 1.237 252 F HN 0.292 nan 8.300 nan 0.000 0.439 253 N N 2.881 121.615 118.700 0.057 0.000 2.442 253 N HA 0.128 4.871 4.740 0.004 0.000 0.274 253 N C 0.664 176.255 175.510 0.134 0.000 1.002 253 N CA 0.213 53.374 53.050 0.185 0.000 0.910 253 N CB 1.855 40.419 38.487 0.127 0.000 1.244 253 N HN 0.603 nan 8.380 nan 0.000 0.492 254 S N 3.418 119.315 115.700 0.329 0.000 2.383 254 S HA -0.168 4.304 4.470 0.004 0.000 0.229 254 S C 1.684 176.399 174.600 0.192 0.000 1.030 254 S CA 0.626 58.998 58.200 0.287 0.000 1.002 254 S CB -0.522 62.930 63.200 0.420 0.000 0.829 254 S HN 0.569 nan 8.310 nan 0.000 0.467 255 F N 2.784 122.790 119.950 0.093 0.000 2.128 255 F HA 0.170 4.699 4.527 0.003 0.000 0.295 255 F C 2.694 178.499 175.800 0.008 0.000 1.100 255 F CA 1.259 59.288 58.000 0.048 0.000 1.260 255 F CB -0.484 38.535 39.000 0.031 0.000 1.009 255 F HN 0.091 nan 8.300 nan 0.000 0.476 256 R N -0.320 120.364 120.500 0.307 0.000 2.105 256 R HA -0.163 4.179 4.340 0.004 0.000 0.239 256 R C 1.600 177.964 176.300 0.106 0.000 1.135 256 R CA 1.545 57.732 56.100 0.146 0.000 0.967 256 R CB -0.157 30.178 30.300 0.059 0.000 0.861 256 R HN 0.203 nan 8.270 nan 0.000 0.442 257 M N -0.431 119.194 119.600 0.042 0.000 2.633 257 M HA 0.183 4.666 4.480 0.004 0.000 0.226 257 M C 0.859 177.159 176.300 0.001 0.000 1.137 257 M CA 0.730 56.037 55.300 0.013 0.000 1.020 257 M CB 0.288 32.714 32.600 -0.290 0.000 1.675 257 M HN 0.476 nan 8.290 nan 0.000 0.500 258 G N 0.574 109.354 108.800 -0.032 0.000 2.148 258 G HA2 -0.172 3.791 3.960 0.004 0.000 0.203 258 G HA3 -0.172 3.791 3.960 0.004 0.000 0.203 258 G C -0.222 174.612 174.900 -0.110 0.000 0.993 258 G CA -0.062 44.990 45.100 -0.081 0.000 0.661 258 G HN 0.434 nan 8.290 nan 0.000 0.518 259 D N 0.478 120.817 120.400 -0.101 0.000 2.462 259 D HA 0.400 5.043 4.640 0.004 0.000 0.249 259 D C 1.288 177.523 176.300 -0.109 0.000 1.117 259 D CA -0.524 53.435 54.000 -0.068 0.000 0.900 259 D CB 0.440 41.244 40.800 0.007 0.000 1.039 259 D HN 0.287 nan 8.370 nan 0.000 0.516 260 K N 0.587 120.826 120.400 -0.269 0.000 2.487 260 K HA 0.021 4.344 4.320 0.004 0.000 0.192 260 K C 1.090 177.677 176.600 -0.021 0.000 1.027 260 K CA 0.588 56.638 56.287 -0.395 0.000 1.054 260 K CB 0.433 32.573 32.500 -0.599 0.000 0.824 260 K HN 0.326 nan 8.250 nan 0.000 0.510 261 T N -2.527 112.048 114.554 0.035 0.000 3.132 261 T HA 0.107 4.460 4.350 0.004 0.000 0.274 261 T C 0.921 175.684 174.700 0.106 0.000 1.011 261 T CA -0.537 61.602 62.100 0.065 0.000 0.899 261 T CB -0.209 68.679 68.868 0.034 0.000 1.089 261 T HN 0.032 nan 8.240 nan 0.000 0.543 262 F N 1.909 121.858 119.950 -0.001 0.000 2.147 262 F HA 0.526 5.053 4.527 0.001 0.000 0.291 262 F C 0.356 176.115 175.800 -0.069 0.000 1.093 262 F CA -0.192 57.796 58.000 -0.020 0.000 1.263 262 F CB 0.176 39.187 39.000 0.018 0.000 1.036 262 F HN 0.213 nan 8.300 nan 0.000 0.481 263 L N 0.617 121.774 121.223 -0.111 0.000 2.409 263 L HA 0.698 5.040 4.340 0.004 0.000 0.272 263 L C -0.521 176.302 176.870 -0.078 0.000 0.980 263 L CA 0.194 54.876 54.840 -0.264 0.000 0.826 263 L CB 1.465 43.425 42.059 -0.165 0.000 1.268 263 L HN 0.392 nan 8.230 nan 0.000 0.407 264 G N 2.872 111.600 108.800 -0.120 0.000 2.359 264 G HA2 0.070 4.032 3.960 0.004 0.000 0.293 264 G HA3 0.070 4.032 3.960 0.004 0.000 0.293 264 G C -1.817 173.046 174.900 -0.061 0.000 1.300 264 G CA -1.104 43.965 45.100 -0.051 0.000 0.888 264 G HN 0.389 nan 8.290 nan 0.000 0.541 265 K N 0.646 121.027 120.400 -0.032 0.000 2.436 265 K HA 0.390 4.713 4.320 0.004 0.000 0.282 265 K C 1.361 177.939 176.600 -0.036 0.000 1.044 265 K CA 0.894 57.164 56.287 -0.028 0.000 1.028 265 K CB 0.478 32.967 32.500 -0.018 0.000 0.919 265 K HN 2.130 nan 8.250 nan 0.000 0.474 266 G N 2.626 111.399 108.800 -0.045 0.000 2.187 266 G HA2 -0.269 3.694 3.960 0.004 0.000 0.261 266 G HA3 -0.269 3.694 3.960 0.004 0.000 0.261 266 G C 0.366 175.226 174.900 -0.066 0.000 1.000 266 G CA 0.464 45.535 45.100 -0.048 0.000 0.718 266 G HN 0.413 nan 8.290 nan 0.000 0.519 267 M N -1.071 118.468 119.600 -0.101 0.000 2.278 267 M HA 0.388 4.870 4.480 0.004 0.000 0.227 267 M C 2.054 178.236 176.300 -0.197 0.000 1.138 267 M CA 0.253 55.478 55.300 -0.125 0.000 1.014 267 M CB -0.976 31.548 32.600 -0.126 0.000 1.289 267 M HN -0.015 nan 8.290 nan 0.000 0.567 268 T N 0.729 115.132 114.554 -0.251 0.000 2.684 268 T HA -0.021 4.331 4.350 0.004 0.000 0.267 268 T C 0.719 175.156 174.700 -0.439 0.000 1.036 268 T CA 1.051 62.977 62.100 -0.290 0.000 1.148 268 T CB -0.109 68.603 68.868 -0.260 0.000 0.863 268 T HN 0.358 nan 8.240 nan 0.000 0.436 269 V N 2.935 122.421 119.914 -0.712 0.000 2.318 269 V HA 0.273 4.395 4.120 0.004 0.000 0.271 269 V C -0.391 175.367 176.094 -0.561 0.000 1.030 269 V CA -1.061 60.759 62.300 -0.800 0.000 0.844 269 V CB 1.121 32.186 31.823 -1.263 0.000 1.015 269 V HN 0.263 nan 8.190 nan 0.000 0.460 270 D N 3.893 124.077 120.400 -0.361 0.000 2.365 270 D HA 0.121 4.763 4.640 0.004 0.000 0.237 270 D C 1.422 177.677 176.300 -0.074 0.000 1.190 270 D CA -0.062 53.833 54.000 -0.175 0.000 0.867 270 D CB 1.648 42.386 40.800 -0.104 0.000 1.050 270 D HN 0.642 nan 8.370 nan 0.000 0.491 271 T N -0.311 114.223 114.554 -0.032 0.000 3.160 271 T HA -0.101 4.252 4.350 0.004 0.000 0.257 271 T C 1.635 176.406 174.700 0.119 0.000 1.147 271 T CA 0.675 62.859 62.100 0.140 0.000 1.064 271 T CB -0.233 68.707 68.868 0.121 0.000 0.949 271 T HN 0.251 nan 8.240 nan 0.000 0.526 272 S N 0.313 116.046 115.700 0.056 0.000 2.522 272 S HA 0.173 4.645 4.470 0.004 0.000 0.227 272 S C 0.656 175.287 174.600 0.052 0.000 0.986 272 S CA -0.210 58.014 58.200 0.040 0.000 0.929 272 S CB -0.125 63.082 63.200 0.012 0.000 0.769 272 S HN 0.315 nan 8.310 nan 0.000 0.529 273 K N 1.099 121.552 120.400 0.089 0.000 2.444 273 K HA 0.581 4.903 4.320 0.004 0.000 0.252 273 K C -3.316 173.371 176.600 0.144 0.000 0.993 273 K CA -2.468 53.868 56.287 0.082 0.000 0.847 273 K CB 0.923 33.459 32.500 0.061 0.000 1.340 273 K HN -0.070 nan 8.250 nan 0.000 0.446 274 P HA 0.206 nan 4.420 nan 0.000 0.269 274 P C -0.813 176.553 177.300 0.110 0.000 1.215 274 P CA 0.009 63.110 63.100 0.002 0.000 0.780 274 P CB 0.218 31.895 31.700 -0.039 0.000 0.898 275 F N -2.583 117.328 119.950 -0.064 0.000 2.741 275 F HA 0.657 5.187 4.527 0.004 0.000 0.313 275 F C -1.098 174.606 175.800 -0.160 0.000 1.153 275 F CA -0.939 57.009 58.000 -0.088 0.000 0.931 275 F CB 0.640 39.598 39.000 -0.071 0.000 1.335 275 F HN -0.003 nan 8.300 nan 0.000 0.460 276 T N 1.648 116.216 114.554 0.025 0.000 2.859 276 T HA 0.663 5.015 4.350 0.004 0.000 0.281 276 T C -1.051 173.522 174.700 -0.212 0.000 1.005 276 T CA -0.608 61.365 62.100 -0.213 0.000 1.025 276 T CB 1.758 70.527 68.868 -0.166 0.000 0.977 276 T HN 0.568 nan 8.240 nan 0.000 0.458 277 V N 3.675 123.227 119.914 -0.604 0.000 2.407 277 V HA 0.432 4.554 4.120 0.004 0.000 0.291 277 V C -0.318 175.421 176.094 -0.590 0.000 1.018 277 V CA -0.758 61.133 62.300 -0.683 0.000 0.842 277 V CB 1.616 32.758 31.823 -1.135 0.000 0.996 277 V HN 0.695 nan 8.190 nan 0.000 0.426 278 V N 4.047 123.646 119.914 -0.524 0.000 2.435 278 V HA 0.624 4.747 4.120 0.004 0.000 0.290 278 V C 0.180 176.065 176.094 -0.348 0.000 1.030 278 V CA -0.180 61.884 62.300 -0.393 0.000 0.881 278 V CB 2.081 33.565 31.823 -0.564 0.000 0.983 278 V HN 0.928 nan 8.190 nan 0.000 0.445 279 T N 5.167 119.614 114.554 -0.180 0.000 2.879 279 T HA 0.531 4.883 4.350 0.004 0.000 0.290 279 T C -0.742 173.782 174.700 -0.295 0.000 0.993 279 T CA -0.612 61.304 62.100 -0.308 0.000 0.975 279 T CB 1.477 70.211 68.868 -0.224 0.000 0.981 279 T HN 0.687 nan 8.240 nan 0.000 0.439 280 Q N 1.715 121.270 119.800 -0.409 0.000 2.337 280 Q HA 0.554 4.897 4.340 0.004 0.000 0.266 280 Q C -1.304 174.459 176.000 -0.394 0.000 1.023 280 Q CA -0.740 54.924 55.803 -0.231 0.000 0.829 280 Q CB 2.193 30.884 28.738 -0.078 0.000 1.306 280 Q HN 0.593 nan 8.270 nan 0.000 0.449 281 F N 2.400 122.398 119.950 0.080 0.000 2.307 281 F HA 0.316 4.856 4.527 0.022 0.000 0.369 281 F C -0.783 175.061 175.800 0.073 0.000 1.076 281 F CA -0.742 57.309 58.000 0.084 0.000 1.149 281 F CB 0.576 39.630 39.000 0.091 0.000 1.410 281 F HN 0.250 nan 8.300 nan 0.000 0.481 282 L N 2.507 123.826 121.223 0.160 0.000 2.326 282 L HA 0.506 4.849 4.340 0.004 0.000 0.278 282 L C 0.705 177.648 176.870 0.121 0.000 1.092 282 L CA -0.196 54.715 54.840 0.119 0.000 0.810 282 L CB 1.206 43.309 42.059 0.073 0.000 1.153 282 L HN 0.565 nan 8.230 nan 0.000 0.439 283 T N -1.908 112.706 114.554 0.100 0.000 2.944 283 T HA 0.309 4.662 4.350 0.004 0.000 0.284 283 T C 0.975 175.715 174.700 0.067 0.000 1.010 283 T CA -0.567 61.584 62.100 0.085 0.000 1.025 283 T CB 0.920 69.833 68.868 0.075 0.000 1.079 283 T HN 0.579 nan 8.240 nan 0.000 0.516 284 N N 0.855 119.590 118.700 0.059 0.000 2.289 284 N HA -0.108 4.634 4.740 0.004 0.000 0.184 284 N C 0.809 176.344 175.510 0.041 0.000 1.016 284 N CA 1.248 54.327 53.050 0.049 0.000 0.872 284 N CB -0.330 38.184 38.487 0.046 0.000 0.973 284 N HN 0.837 nan 8.380 nan 0.000 0.433 285 D N -1.378 119.046 120.400 0.040 0.000 2.501 285 D HA 0.050 4.692 4.640 0.004 0.000 0.224 285 D C -0.464 175.856 176.300 0.034 0.000 1.202 285 D CA -0.584 53.436 54.000 0.033 0.000 0.829 285 D CB -0.548 40.270 40.800 0.029 0.000 1.023 285 D HN -0.051 nan 8.370 nan 0.000 0.499 286 N N 0.669 119.394 118.700 0.041 0.000 2.725 286 N HA -0.154 4.588 4.740 0.004 0.000 0.249 286 N C -0.439 175.095 175.510 0.040 0.000 1.103 286 N CA 1.618 54.694 53.050 0.042 0.000 0.707 286 N CB -2.069 36.439 38.487 0.035 0.000 1.043 286 N HN 0.712 nan 8.380 nan 0.000 0.553 287 T N -4.987 109.592 114.554 0.041 0.000 2.916 287 T HA 0.567 4.919 4.350 0.004 0.000 0.292 287 T C 1.161 175.887 174.700 0.042 0.000 1.064 287 T CA -0.124 61.998 62.100 0.037 0.000 1.011 287 T CB 1.738 70.624 68.868 0.029 0.000 1.152 287 T HN 0.059 nan 8.240 nan 0.000 0.510 288 S N -0.529 115.193 115.700 0.038 0.000 2.603 288 S HA -0.019 4.454 4.470 0.004 0.000 0.229 288 S C 1.520 176.136 174.600 0.027 0.000 0.972 288 S CA 0.710 58.932 58.200 0.036 0.000 0.935 288 S CB -1.116 62.103 63.200 0.032 0.000 0.769 288 S HN 1.051 nan 8.310 nan 0.000 0.536 289 T N -2.549 112.021 114.554 0.026 0.000 3.054 289 T HA 0.435 4.788 4.350 0.004 0.000 0.255 289 T C 0.997 175.712 174.700 0.025 0.000 1.035 289 T CA 0.101 62.214 62.100 0.021 0.000 0.941 289 T CB 0.004 68.882 68.868 0.016 0.000 1.026 289 T HN 0.367 nan 8.240 nan 0.000 0.533 290 G N 1.063 109.883 108.800 0.032 0.000 2.611 290 G HA2 0.451 4.413 3.960 0.004 0.000 0.273 290 G HA3 0.451 4.413 3.960 0.004 0.000 0.273 290 G C -0.536 174.389 174.900 0.041 0.000 1.305 290 G CA -0.509 44.613 45.100 0.036 0.000 1.010 290 G HN 0.302 nan 8.290 nan 0.000 0.509 291 T N 0.700 115.280 114.554 0.045 0.000 2.780 291 T HA 0.234 4.587 4.350 0.004 0.000 0.294 291 T C 0.341 175.084 174.700 0.072 0.000 0.949 291 T CA -0.325 61.806 62.100 0.051 0.000 1.074 291 T CB 1.283 70.178 68.868 0.045 0.000 0.910 291 T HN 0.407 nan 8.240 nan 0.000 0.501 292 L N 4.607 125.882 121.223 0.086 0.000 2.628 292 L HA 0.061 4.403 4.340 0.004 0.000 0.274 292 L C 1.226 178.172 176.870 0.126 0.000 1.209 292 L CA 0.945 55.860 54.840 0.125 0.000 0.930 292 L CB 0.238 42.387 42.059 0.150 0.000 1.183 292 L HN 0.795 nan 8.230 nan 0.000 0.492 293 S N 2.194 117.969 115.700 0.125 0.000 2.554 293 S HA 0.297 4.769 4.470 0.004 0.000 0.227 293 S C 0.360 175.032 174.600 0.120 0.000 1.050 293 S CA -0.044 58.225 58.200 0.115 0.000 0.927 293 S CB 0.122 63.374 63.200 0.086 0.000 0.859 293 S HN 0.718 nan 8.310 nan 0.000 0.494 294 E N -0.020 120.251 120.200 0.119 0.000 2.375 294 E HA 0.547 4.900 4.350 0.004 0.000 0.280 294 E C -1.993 174.658 176.600 0.085 0.000 0.972 294 E CA -0.779 55.677 56.400 0.094 0.000 0.782 294 E CB 1.754 31.486 29.700 0.053 0.000 1.229 294 E HN 0.329 nan 8.360 nan 0.000 0.439 295 I N 3.793 124.402 120.570 0.065 0.000 2.382 295 I HA 0.448 4.620 4.170 0.004 0.000 0.285 295 I C -0.079 175.993 176.117 -0.074 0.000 1.007 295 I CA -0.632 60.652 61.300 -0.027 0.000 1.142 295 I CB 1.407 39.467 38.000 0.100 0.000 1.289 295 I HN 0.310 nan 8.210 nan 0.000 0.453 296 R N 4.274 124.658 120.500 -0.194 0.000 2.598 296 R HA 0.726 5.069 4.340 0.004 0.000 0.279 296 R C -0.539 175.536 176.300 -0.376 0.000 0.984 296 R CA -1.036 54.934 56.100 -0.216 0.000 0.999 296 R CB 1.940 32.150 30.300 -0.151 0.000 1.114 296 R HN 0.377 nan 8.270 nan 0.000 0.493 297 R N 2.175 122.435 120.500 -0.400 0.000 2.575 297 R HA 0.499 4.841 4.340 0.004 0.000 0.293 297 R C -1.578 174.452 176.300 -0.450 0.000 0.983 297 R CA -0.380 55.385 56.100 -0.557 0.000 0.887 297 R CB 0.994 30.853 30.300 -0.735 0.000 1.184 297 R HN 0.625 nan 8.270 nan 0.000 0.445 298 I N 4.166 124.412 120.570 -0.540 0.000 2.730 298 I HA 0.442 4.614 4.170 0.004 0.000 0.298 298 I C -1.040 174.706 176.117 -0.619 0.000 1.089 298 I CA -0.985 60.056 61.300 -0.433 0.000 1.041 298 I CB 2.044 39.817 38.000 -0.378 0.000 1.235 298 I HN 0.581 nan 8.210 nan 0.000 0.423 299 Y N 5.014 125.242 120.300 -0.120 0.000 2.509 299 Y HA 0.688 5.237 4.550 -0.002 0.000 0.341 299 Y C -0.299 175.524 175.900 -0.127 0.000 1.038 299 Y CA -0.787 57.248 58.100 -0.109 0.000 1.089 299 Y CB 1.808 40.226 38.460 -0.069 0.000 1.241 299 Y HN 0.210 nan 8.280 nan 0.000 0.468 300 I N 2.227 122.820 120.570 0.038 0.000 2.499 300 I HA 0.424 4.596 4.170 0.004 0.000 0.288 300 I C -1.041 175.111 176.117 0.059 0.000 1.048 300 I CA -0.674 60.632 61.300 0.010 0.000 1.062 300 I CB 2.149 40.116 38.000 -0.054 0.000 1.238 300 I HN 0.507 nan 8.210 nan 0.000 0.426 301 Q N 4.923 124.745 119.800 0.036 0.000 2.271 301 Q HA 0.305 4.647 4.340 0.004 0.000 0.268 301 Q C -0.307 175.703 176.000 0.017 0.000 1.021 301 Q CA -0.542 55.285 55.803 0.040 0.000 0.802 301 Q CB 1.454 30.196 28.738 0.008 0.000 1.282 301 Q HN 0.622 nan 8.270 nan 0.000 0.431 302 N N 2.427 121.140 118.700 0.021 0.000 2.708 302 N HA -0.241 4.502 4.740 0.004 0.000 0.249 302 N C 0.439 175.957 175.510 0.013 0.000 1.097 302 N CA 2.129 55.186 53.050 0.013 0.000 0.710 302 N CB -1.113 37.377 38.487 0.005 0.000 1.032 302 N HN 1.092 nan 8.380 nan 0.000 0.551 303 G N -1.131 107.680 108.800 0.019 0.000 2.184 303 G HA2 -0.389 3.573 3.960 0.004 0.000 0.264 303 G HA3 -0.389 3.573 3.960 0.004 0.000 0.264 303 G C 0.091 175.007 174.900 0.028 0.000 0.975 303 G CA 0.827 45.941 45.100 0.024 0.000 0.642 303 G HN 0.745 nan 8.290 nan 0.000 0.536 304 K N 0.733 121.146 120.400 0.022 0.000 2.258 304 K HA 0.537 4.860 4.320 0.004 0.000 0.284 304 K C 0.274 176.893 176.600 0.033 0.000 1.051 304 K CA -0.622 55.679 56.287 0.025 0.000 0.923 304 K CB 0.976 33.484 32.500 0.012 0.000 1.046 304 K HN 0.002 nan 8.250 nan 0.000 0.474 305 V N 6.803 126.745 119.914 0.047 0.000 2.432 305 V HA 0.241 4.364 4.120 0.004 0.000 0.271 305 V C 0.114 176.245 176.094 0.062 0.000 1.046 305 V CA -0.406 61.925 62.300 0.052 0.000 0.945 305 V CB 0.681 32.556 31.823 0.087 0.000 0.992 305 V HN 0.651 nan 8.190 nan 0.000 0.471 306 I N 5.271 125.890 120.570 0.081 0.000 2.354 306 I HA 0.346 4.518 4.170 0.004 0.000 0.286 306 I C 0.341 176.572 176.117 0.190 0.000 1.007 306 I CA -0.371 61.016 61.300 0.145 0.000 1.167 306 I CB 1.365 39.453 38.000 0.147 0.000 1.320 306 I HN 0.613 nan 8.210 nan 0.000 0.458 307 Q N 3.487 123.378 119.800 0.151 0.000 2.417 307 Q HA 0.134 4.476 4.340 0.004 0.000 0.241 307 Q C -0.020 176.074 176.000 0.157 0.000 1.008 307 Q CA -0.514 55.351 55.803 0.102 0.000 0.901 307 Q CB 0.694 29.458 28.738 0.044 0.000 1.259 307 Q HN 0.445 nan 8.270 nan 0.000 0.489 308 N N 0.466 119.196 118.700 0.049 0.000 2.441 308 N HA -0.048 4.694 4.740 0.004 0.000 0.251 308 N C -0.743 174.603 175.510 -0.273 0.000 1.242 308 N CA 0.139 53.174 53.050 -0.024 0.000 0.898 308 N CB 0.658 39.064 38.487 -0.135 0.000 1.100 308 N HN 0.594 nan 8.380 nan 0.000 0.443 309 S N 0.834 116.126 115.700 -0.680 0.000 2.576 309 S HA 0.217 4.689 4.470 0.004 0.000 0.272 309 S C 0.073 174.606 174.600 -0.111 0.000 1.352 309 S CA -0.849 56.989 58.200 -0.603 0.000 1.021 309 S CB 0.494 63.151 63.200 -0.905 0.000 0.887 309 S HN 0.289 nan 8.310 nan 0.000 0.542 310 V N 2.062 121.948 119.914 -0.047 0.000 2.509 310 V HA 0.596 4.719 4.120 0.004 0.000 0.284 310 V C 0.909 177.056 176.094 0.089 0.000 1.047 310 V CA -0.558 61.774 62.300 0.053 0.000 0.952 310 V CB 0.824 32.656 31.823 0.016 0.000 0.988 310 V HN 1.188 nan 8.190 nan 0.000 0.469 311 A N 3.569 126.472 122.820 0.138 0.000 2.511 311 A HA 0.318 4.641 4.320 0.004 0.000 0.242 311 A C 0.396 178.003 177.584 0.039 0.000 1.069 311 A CA 0.202 52.284 52.037 0.074 0.000 0.763 311 A CB -0.397 18.682 19.000 0.132 0.000 1.001 311 A HN 0.923 nan 8.150 nan 0.000 0.498 312 N N 1.956 120.665 118.700 0.015 0.000 2.750 312 N HA 0.380 5.122 4.740 0.004 0.000 0.253 312 N C -1.542 173.972 175.510 0.007 0.000 1.408 312 N CA -0.240 52.814 53.050 0.006 0.000 0.780 312 N CB 0.192 38.676 38.487 -0.005 0.000 1.191 312 N HN 0.344 nan 8.380 nan 0.000 0.511 313 I N 1.879 122.451 120.570 0.003 0.000 2.569 313 I HA 0.426 4.598 4.170 0.004 0.000 0.290 313 I C -2.267 173.837 176.117 -0.022 0.000 1.088 313 I CA -2.311 58.993 61.300 0.006 0.000 1.047 313 I CB 1.781 39.782 38.000 0.002 0.000 1.237 313 I HN 0.228 nan 8.210 nan 0.000 0.421 314 P HA 0.220 nan 4.420 nan 0.000 0.261 314 P C 0.876 178.148 177.300 -0.047 0.000 1.183 314 P CA 0.894 63.981 63.100 -0.021 0.000 0.761 314 P CB 0.486 32.181 31.700 -0.008 0.000 0.785 315 G N 1.366 110.136 108.800 -0.050 0.000 2.175 315 G HA2 -0.189 3.774 3.960 0.004 0.000 0.244 315 G HA3 -0.189 3.774 3.960 0.004 0.000 0.244 315 G C -0.038 174.803 174.900 -0.098 0.000 0.982 315 G CA -0.169 44.889 45.100 -0.069 0.000 0.641 315 G HN 0.539 nan 8.290 nan 0.000 0.527 316 V N 1.842 121.698 119.914 -0.096 0.000 2.459 316 V HA 0.461 4.583 4.120 0.004 0.000 0.295 316 V C -0.126 175.955 176.094 -0.021 0.000 1.029 316 V CA -1.200 61.039 62.300 -0.103 0.000 0.874 316 V CB 1.742 33.468 31.823 -0.161 0.000 0.985 316 V HN 0.240 nan 8.190 nan 0.000 0.438 317 D N 6.503 126.909 120.400 0.011 0.000 2.472 317 D HA 0.097 4.740 4.640 0.004 0.000 0.237 317 D C -2.014 174.329 176.300 0.072 0.000 1.141 317 D CA -0.925 53.100 54.000 0.041 0.000 0.875 317 D CB 0.736 41.571 40.800 0.057 0.000 1.192 317 D HN 0.357 nan 8.370 nan 0.000 0.450 318 P HA 0.019 nan 4.420 nan 0.000 0.244 318 P C -0.354 176.986 177.300 0.067 0.000 1.769 318 P CA -0.204 62.931 63.100 0.058 0.000 1.102 318 P CB 0.012 31.732 31.700 0.033 0.000 1.937 319 V N 0.613 120.587 119.914 0.100 0.000 3.103 319 V HA 0.678 4.800 4.120 0.004 0.000 0.318 319 V C 0.492 176.628 176.094 0.070 0.000 1.114 319 V CA -0.899 61.442 62.300 0.069 0.000 1.020 319 V CB 2.260 34.127 31.823 0.073 0.000 1.085 319 V HN 0.308 nan 8.190 nan 0.000 0.446 320 N N -0.015 118.669 118.700 -0.026 0.000 2.305 320 N HA 0.232 4.975 4.740 0.004 0.000 0.248 320 N C -0.250 175.052 175.510 -0.346 0.000 1.290 320 N CA 0.384 53.354 53.050 -0.134 0.000 0.873 320 N CB 0.296 38.711 38.487 -0.120 0.000 1.261 320 N HN 1.065 nan 8.380 nan 0.000 0.504 321 S N -0.544 114.984 115.700 -0.285 0.000 2.595 321 S HA 0.641 5.113 4.470 0.004 0.000 0.281 321 S C -0.491 173.928 174.600 -0.302 0.000 1.117 321 S CA -0.942 57.102 58.200 -0.260 0.000 0.873 321 S CB 1.285 64.413 63.200 -0.120 0.000 1.108 321 S HN 0.107 nan 8.310 nan 0.000 0.477 322 I N 2.732 123.206 120.570 -0.161 0.000 2.396 322 I HA 0.390 4.563 4.170 0.004 0.000 0.289 322 I C 0.475 176.635 176.117 0.073 0.000 1.056 322 I CA 0.085 61.339 61.300 -0.076 0.000 1.365 322 I CB 1.001 39.020 38.000 0.033 0.000 1.407 322 I HN 0.952 nan 8.210 nan 0.000 0.509 323 T N 0.063 114.715 114.554 0.165 0.000 2.865 323 T HA 0.277 4.630 4.350 0.004 0.000 0.294 323 T C 0.485 175.328 174.700 0.238 0.000 1.119 323 T CA -0.833 61.379 62.100 0.186 0.000 1.007 323 T CB 2.045 71.004 68.868 0.151 0.000 1.225 323 T HN 0.402 nan 8.240 nan 0.000 0.515 324 D N 0.485 121.021 120.400 0.226 0.000 2.123 324 D HA -0.162 4.481 4.640 0.004 0.000 0.196 324 D C 1.744 178.140 176.300 0.160 0.000 0.992 324 D CA 1.321 55.467 54.000 0.242 0.000 0.833 324 D CB -0.186 40.735 40.800 0.203 0.000 0.954 324 D HN 0.719 nan 8.370 nan 0.000 0.455 325 N N -0.236 118.542 118.700 0.131 0.000 2.104 325 N HA -0.192 4.551 4.740 0.004 0.000 0.190 325 N C 1.970 177.523 175.510 0.072 0.000 1.024 325 N CA 0.605 53.706 53.050 0.086 0.000 0.853 325 N CB -0.158 38.378 38.487 0.082 0.000 1.008 325 N HN 0.064 nan 8.380 nan 0.000 0.424 326 F N 1.566 121.514 119.950 -0.002 0.000 2.134 326 F HA -0.162 4.379 4.527 0.023 0.000 0.299 326 F C 2.661 178.410 175.800 -0.085 0.000 1.097 326 F CA 1.127 59.107 58.000 -0.034 0.000 1.264 326 F CB -0.936 38.068 39.000 0.007 0.000 1.001 326 F HN 0.154 nan 8.300 nan 0.000 0.479 327 C N 0.843 120.044 119.300 -0.166 0.000 2.432 327 C HA -0.061 4.401 4.460 0.004 0.000 0.277 327 C C 3.098 177.920 174.990 -0.279 0.000 1.249 327 C CA 1.500 60.330 59.018 -0.313 0.000 1.725 327 C CB -1.829 25.815 27.740 -0.160 0.000 2.028 327 C HN 0.658 nan 8.230 nan 0.000 0.477 328 A N -0.313 122.424 122.820 -0.138 0.000 1.877 328 A HA -0.236 4.087 4.320 0.004 0.000 0.216 328 A C 2.085 179.549 177.584 -0.200 0.000 1.186 328 A CA 1.926 53.892 52.037 -0.118 0.000 0.620 328 A CB -0.825 18.145 19.000 -0.050 0.000 0.822 328 A HN 0.817 nan 8.150 nan 0.000 0.443 329 Q N -1.056 118.600 119.800 -0.240 0.000 2.124 329 Q HA -0.217 4.125 4.340 0.004 0.000 0.202 329 Q C 2.340 178.072 176.000 -0.446 0.000 0.977 329 Q CA 1.448 57.080 55.803 -0.286 0.000 0.850 329 Q CB -0.188 28.411 28.738 -0.231 0.000 0.901 329 Q HN 0.770 nan 8.270 nan 0.000 0.429 330 Q N 0.677 120.070 119.800 -0.677 0.000 2.119 330 Q HA -0.159 4.183 4.340 0.004 0.000 0.201 330 Q C 1.619 177.235 176.000 -0.640 0.000 0.972 330 Q CA 0.966 56.225 55.803 -0.906 0.000 0.847 330 Q CB 0.259 28.314 28.738 -1.137 0.000 0.903 330 Q HN 0.112 nan 8.270 nan 0.000 0.433 331 K N -0.156 120.016 120.400 -0.380 0.000 2.148 331 K HA -0.036 4.287 4.320 0.004 0.000 0.204 331 K C 2.038 178.551 176.600 -0.144 0.000 1.050 331 K CA 1.276 57.454 56.287 -0.181 0.000 0.942 331 K CB -0.476 31.939 32.500 -0.141 0.000 0.724 331 K HN 0.224 nan 8.250 nan 0.000 0.446 332 T N 1.072 115.512 114.554 -0.190 0.000 2.732 332 T HA -0.058 4.295 4.350 0.004 0.000 0.261 332 T C 1.937 176.571 174.700 -0.109 0.000 1.040 332 T CA 1.423 63.444 62.100 -0.133 0.000 1.145 332 T CB -0.216 68.571 68.868 -0.135 0.000 0.866 332 T HN 0.279 nan 8.240 nan 0.000 0.427 333 A N 0.900 123.601 122.820 -0.199 0.000 1.972 333 A HA -0.007 4.316 4.320 0.004 0.000 0.219 333 A C 1.716 179.368 177.584 0.112 0.000 1.169 333 A CA 1.274 53.234 52.037 -0.129 0.000 0.635 333 A CB -0.680 18.143 19.000 -0.295 0.000 0.810 333 A HN 0.453 nan 8.150 nan 0.000 0.446 334 F N -1.246 118.659 119.950 -0.075 0.000 2.754 334 F HA 0.326 4.855 4.527 0.003 0.000 0.297 334 F C 1.896 177.673 175.800 -0.038 0.000 1.122 334 F CA -0.046 57.923 58.000 -0.052 0.000 1.400 334 F CB -0.594 38.372 39.000 -0.058 0.000 1.117 334 F HN 0.374 nan 8.300 nan 0.000 0.587 335 G N 1.025 109.909 108.800 0.139 0.000 2.149 335 G HA2 -0.214 3.748 3.960 0.004 0.000 0.235 335 G HA3 -0.214 3.748 3.960 0.004 0.000 0.235 335 G C -0.387 174.542 174.900 0.049 0.000 1.018 335 G CA -0.010 45.126 45.100 0.060 0.000 0.728 335 G HN 0.258 nan 8.290 nan 0.000 0.508 336 D N 0.092 120.525 120.400 0.055 0.000 2.269 336 D HA 0.572 5.214 4.640 0.004 0.000 0.244 336 D C 0.461 176.723 176.300 -0.062 0.000 0.992 336 D CA -0.100 53.921 54.000 0.035 0.000 0.894 336 D CB 1.333 42.191 40.800 0.096 0.000 1.248 336 D HN 0.011 nan 8.370 nan 0.000 0.468 337 T N 1.250 115.716 114.554 -0.148 0.000 2.913 337 T HA 0.074 4.427 4.350 0.004 0.000 0.297 337 T C 0.764 175.204 174.700 -0.434 0.000 1.029 337 T CA -0.367 61.486 62.100 -0.412 0.000 1.104 337 T CB 0.344 68.721 68.868 -0.819 0.000 0.964 337 T HN 0.166 nan 8.240 nan 0.000 0.532 338 N N 1.725 120.201 118.700 -0.373 0.000 3.298 338 N HA 0.102 4.845 4.740 0.004 0.000 0.292 338 N C 0.391 175.867 175.510 -0.057 0.000 1.271 338 N CA -0.451 52.516 53.050 -0.138 0.000 1.184 338 N CB -0.222 38.226 38.487 -0.066 0.000 1.452 338 N HN 0.674 nan 8.380 nan 0.000 0.534 339 W N 0.550 121.913 121.300 0.104 0.000 2.402 339 W HA -0.064 4.598 4.660 0.003 0.000 0.286 339 W C 1.762 178.351 176.519 0.116 0.000 1.221 339 W CA -0.289 57.110 57.345 0.090 0.000 1.257 339 W CB -0.365 29.145 29.460 0.083 0.000 1.120 339 W HN 0.337 nan 8.180 nan 0.000 0.551 340 F N 1.933 122.013 119.950 0.217 0.000 2.043 340 F HA -0.369 4.161 4.527 0.006 0.000 0.297 340 F C 2.358 178.216 175.800 0.097 0.000 1.118 340 F CA 2.736 60.813 58.000 0.128 0.000 1.202 340 F CB -0.925 38.122 39.000 0.079 0.000 0.965 340 F HN -0.130 nan 8.300 nan 0.000 0.482 341 A N -0.332 122.548 122.820 0.100 0.000 1.940 341 A HA -0.286 4.037 4.320 0.004 0.000 0.219 341 A C 2.241 179.806 177.584 -0.030 0.000 1.176 341 A CA 1.743 53.763 52.037 -0.028 0.000 0.631 341 A CB -1.137 17.902 19.000 0.066 0.000 0.814 341 A HN 0.694 nan 8.150 nan 0.000 0.446 342 Q N -0.736 119.091 119.800 0.045 0.000 2.181 342 Q HA -0.227 4.116 4.340 0.004 0.000 0.205 342 Q C 1.340 177.368 176.000 0.046 0.000 0.980 342 Q CA 1.876 57.721 55.803 0.070 0.000 0.862 342 Q CB -0.036 28.808 28.738 0.176 0.000 0.905 342 Q HN 0.440 nan 8.270 nan 0.000 0.429 343 K N -1.316 119.098 120.400 0.023 0.000 2.426 343 K HA 0.123 4.445 4.320 0.004 0.000 0.193 343 K C 0.682 177.231 176.600 -0.085 0.000 1.028 343 K CA 0.784 57.062 56.287 -0.015 0.000 1.047 343 K CB 0.720 33.221 32.500 0.003 0.000 0.821 343 K HN 0.415 nan 8.250 nan 0.000 0.513 344 G N -1.444 107.271 108.800 -0.142 0.000 2.227 344 G HA2 -0.029 3.934 3.960 0.004 0.000 0.168 344 G HA3 -0.029 3.934 3.960 0.004 0.000 0.168 344 G C 0.601 175.351 174.900 -0.249 0.000 1.006 344 G CA -0.069 44.944 45.100 -0.146 0.000 0.684 344 G HN 0.570 nan 8.290 nan 0.000 0.489 345 G N -0.034 108.441 108.800 -0.543 0.000 2.575 345 G HA2 -0.233 3.729 3.960 0.004 0.000 0.267 345 G HA3 -0.233 3.729 3.960 0.004 0.000 0.267 345 G C 1.160 175.752 174.900 -0.513 0.000 1.264 345 G CA 0.399 44.952 45.100 -0.911 0.000 0.935 345 G HN 1.120 nan 8.290 nan 0.000 0.568 346 L N 0.486 121.674 121.223 -0.058 0.000 2.131 346 L HA -0.064 4.279 4.340 0.004 0.000 0.210 346 L C 2.994 179.902 176.870 0.064 0.000 1.092 346 L CA 2.160 57.086 54.840 0.143 0.000 0.759 346 L CB -0.448 41.768 42.059 0.261 0.000 0.903 346 L HN 0.744 nan 8.230 nan 0.000 0.435 347 K N 0.189 120.599 120.400 0.018 0.000 2.026 347 K HA -0.287 4.036 4.320 0.004 0.000 0.208 347 K C 2.208 178.805 176.600 -0.005 0.000 1.048 347 K CA 1.769 58.065 56.287 0.016 0.000 0.929 347 K CB 0.001 32.505 32.500 0.006 0.000 0.713 347 K HN 0.085 nan 8.250 nan 0.000 0.439 348 Q N 0.690 120.462 119.800 -0.046 0.000 2.119 348 Q HA -0.151 4.192 4.340 0.004 0.000 0.201 348 Q C 1.990 177.978 176.000 -0.020 0.000 0.972 348 Q CA 1.777 57.553 55.803 -0.044 0.000 0.847 348 Q CB -0.225 28.467 28.738 -0.078 0.000 0.903 348 Q HN 0.346 nan 8.270 nan 0.000 0.433 349 M N -0.676 118.918 119.600 -0.009 0.000 2.108 349 M HA -0.044 4.438 4.480 0.004 0.000 0.261 349 M C 1.795 178.121 176.300 0.044 0.000 1.066 349 M CA 2.217 57.548 55.300 0.052 0.000 1.107 349 M CB -0.835 31.849 32.600 0.140 0.000 1.356 349 M HN 0.279 nan 8.290 nan 0.000 0.406 350 G N -1.026 107.802 108.800 0.048 0.000 2.422 350 G HA2 -0.243 3.720 3.960 0.004 0.000 0.218 350 G HA3 -0.243 3.720 3.960 0.004 0.000 0.218 350 G C 1.397 176.300 174.900 0.006 0.000 1.140 350 G CA 0.942 46.063 45.100 0.035 0.000 0.775 350 G HN 0.646 nan 8.290 nan 0.000 0.545 351 E N 0.501 120.703 120.200 0.002 0.000 2.110 351 E HA -0.024 4.328 4.350 0.004 0.000 0.193 351 E C 2.659 179.248 176.600 -0.019 0.000 0.988 351 E CA 1.070 57.465 56.400 -0.008 0.000 0.804 351 E CB -0.242 29.453 29.700 -0.009 0.000 0.745 351 E HN 0.334 nan 8.360 nan 0.000 0.458 352 A N 1.006 123.814 122.820 -0.020 0.000 1.873 352 A HA -0.105 4.218 4.320 0.004 0.000 0.215 352 A C 2.205 179.757 177.584 -0.055 0.000 1.186 352 A CA 1.086 53.103 52.037 -0.032 0.000 0.616 352 A CB -0.664 18.323 19.000 -0.021 0.000 0.823 352 A HN 0.312 nan 8.150 nan 0.000 0.442 353 L N -0.470 120.713 121.223 -0.067 0.000 2.042 353 L HA -0.174 4.168 4.340 0.004 0.000 0.210 353 L C 2.803 179.618 176.870 -0.092 0.000 1.076 353 L CA 1.213 55.981 54.840 -0.120 0.000 0.749 353 L CB -0.895 41.057 42.059 -0.178 0.000 0.893 353 L HN 0.489 nan 8.230 nan 0.000 0.432 354 G N -0.418 108.350 108.800 -0.055 0.000 2.432 354 G HA2 -0.248 3.715 3.960 0.004 0.000 0.219 354 G HA3 -0.248 3.715 3.960 0.004 0.000 0.219 354 G C 1.396 176.273 174.900 -0.038 0.000 1.135 354 G CA 0.605 45.683 45.100 -0.037 0.000 0.767 354 G HN 0.314 nan 8.290 nan 0.000 0.550 355 N N 0.914 119.590 118.700 -0.041 0.000 2.463 355 N HA 0.152 4.895 4.740 0.004 0.000 0.181 355 N C 1.024 176.506 175.510 -0.047 0.000 1.078 355 N CA 1.018 54.045 53.050 -0.038 0.000 0.902 355 N CB 0.292 38.759 38.487 -0.034 0.000 0.970 355 N HN 0.475 nan 8.380 nan 0.000 0.451 356 G N 0.702 109.463 108.800 -0.065 0.000 2.911 356 G HA2 -0.121 3.842 3.960 0.004 0.000 0.686 356 G HA3 -0.121 3.842 3.960 0.004 0.000 0.686 356 G C -0.907 173.939 174.900 -0.090 0.000 1.136 356 G CA -0.682 44.371 45.100 -0.078 0.000 0.764 356 G HN 0.036 nan 8.290 nan 0.000 0.626 357 M N 0.647 120.175 119.600 -0.119 0.000 2.631 357 M HA 0.654 5.137 4.480 0.004 0.000 0.288 357 M C -0.018 176.190 176.300 -0.152 0.000 1.260 357 M CA -1.153 54.069 55.300 -0.131 0.000 0.842 357 M CB 2.669 35.185 32.600 -0.140 0.000 1.743 357 M HN 0.436 nan 8.290 nan 0.000 0.461 358 V N 1.970 121.777 119.914 -0.179 0.000 2.472 358 V HA 0.402 4.524 4.120 0.004 0.000 0.290 358 V C -0.770 175.187 176.094 -0.229 0.000 1.037 358 V CA -0.818 61.348 62.300 -0.222 0.000 0.908 358 V CB 1.709 33.305 31.823 -0.378 0.000 0.985 358 V HN 0.608 nan 8.190 nan 0.000 0.454 359 L N 5.039 126.142 121.223 -0.201 0.000 2.290 359 L HA 0.745 5.087 4.340 0.004 0.000 0.284 359 L C 0.287 177.039 176.870 -0.197 0.000 1.078 359 L CA 0.406 55.108 54.840 -0.230 0.000 0.815 359 L CB 0.769 42.717 42.059 -0.185 0.000 1.162 359 L HN 0.777 nan 8.230 nan 0.000 0.435 360 A N 5.874 128.472 122.820 -0.369 0.000 2.337 360 A HA 0.837 5.160 4.320 0.004 0.000 0.329 360 A C -1.375 175.918 177.584 -0.486 0.000 1.146 360 A CA -0.566 51.194 52.037 -0.461 0.000 0.800 360 A CB 0.951 19.475 19.000 -0.793 0.000 1.220 360 A HN 0.626 nan 8.150 nan 0.000 0.472 361 L N 1.716 122.727 121.223 -0.354 0.000 2.385 361 L HA 0.762 5.105 4.340 0.004 0.000 0.273 361 L C 0.166 177.000 176.870 -0.060 0.000 0.990 361 L CA -0.041 54.662 54.840 -0.228 0.000 0.821 361 L CB 2.243 44.160 42.059 -0.236 0.000 1.279 361 L HN 0.865 nan 8.230 nan 0.000 0.412 362 S N 2.180 117.992 115.700 0.186 0.000 2.565 362 S HA 0.776 5.249 4.470 0.004 0.000 0.269 362 S C -1.198 173.656 174.600 0.423 0.000 1.153 362 S CA -0.748 57.581 58.200 0.215 0.000 0.835 362 S CB 1.577 64.896 63.200 0.199 0.000 1.122 362 S HN 0.596 nan 8.310 nan 0.000 0.462 363 I N 2.914 123.708 120.570 0.373 0.000 2.466 363 I HA 0.765 4.937 4.170 0.004 0.000 0.289 363 I C -1.713 174.735 176.117 0.552 0.000 1.026 363 I CA -0.419 61.119 61.300 0.398 0.000 1.078 363 I CB 1.248 39.403 38.000 0.258 0.000 1.249 363 I HN 0.921 nan 8.210 nan 0.000 0.429 364 W N 5.895 127.313 121.300 0.197 0.000 3.066 364 W HA 0.487 5.148 4.660 0.002 0.000 0.330 364 W C -2.049 174.565 176.519 0.159 0.000 1.253 364 W CA -1.112 56.396 57.345 0.272 0.000 1.187 364 W CB 0.172 29.808 29.460 0.293 0.000 1.434 364 W HN 0.482 nan 8.180 nan 0.000 0.572 365 D N -0.098 120.509 120.400 0.344 0.000 2.392 365 D HA 0.443 5.086 4.640 0.004 0.000 0.246 365 D C -1.308 175.142 176.300 0.250 0.000 1.013 365 D CA -0.456 53.574 54.000 0.050 0.000 0.993 365 D CB 1.731 42.597 40.800 0.111 0.000 1.219 365 D HN 0.157 nan 8.370 nan 0.000 0.538 366 D N -1.653 118.791 120.400 0.073 0.000 2.462 366 D HA 0.219 4.862 4.640 0.004 0.000 0.245 366 D C -0.083 176.329 176.300 0.186 0.000 1.122 366 D CA -0.446 53.727 54.000 0.288 0.000 0.864 366 D CB 0.553 41.453 40.800 0.167 0.000 1.098 366 D HN 0.363 nan 8.370 nan 0.000 0.541 367 H N 2.061 121.261 119.070 0.216 0.000 2.423 367 H HA 0.094 4.652 4.556 0.004 0.000 0.297 367 H C 1.796 177.201 175.328 0.129 0.000 1.075 367 H CA 1.688 57.823 56.048 0.145 0.000 1.342 367 H CB 0.368 30.203 29.762 0.122 0.000 1.395 367 H HN 0.479 nan 8.280 nan 0.000 0.530 368 A N 0.139 123.120 122.820 0.268 0.000 1.874 368 A HA 0.234 4.556 4.320 0.004 0.000 0.214 368 A C 2.092 179.789 177.584 0.188 0.000 1.189 368 A CA 1.418 53.574 52.037 0.198 0.000 0.615 368 A CB -0.403 18.703 19.000 0.177 0.000 0.830 368 A HN 0.411 nan 8.150 nan 0.000 0.443 369 A N -1.819 121.129 122.820 0.213 0.000 2.545 369 A HA 0.397 4.720 4.320 0.004 0.000 0.263 369 A C 0.489 178.151 177.584 0.131 0.000 1.202 369 A CA 0.467 52.635 52.037 0.217 0.000 0.959 369 A CB -0.525 18.614 19.000 0.230 0.000 1.124 369 A HN 0.592 nan 8.150 nan 0.000 0.543 370 N N -1.845 116.899 118.700 0.073 0.000 2.741 370 N HA -0.280 4.463 4.740 0.004 0.000 0.250 370 N C 0.442 175.854 175.510 -0.163 0.000 1.115 370 N CA 0.516 53.544 53.050 -0.036 0.000 0.724 370 N CB -0.985 37.489 38.487 -0.022 0.000 1.090 370 N HN 0.465 nan 8.380 nan 0.000 0.558 371 M N -1.502 117.959 119.600 -0.233 0.000 2.835 371 M HA -0.241 4.241 4.480 0.004 0.000 0.177 371 M C 0.688 176.550 176.300 -0.729 0.000 0.640 371 M CA 0.844 55.759 55.300 -0.643 0.000 0.635 371 M CB -1.164 31.056 32.600 -0.634 0.000 2.307 371 M HN 0.424 nan 8.290 nan 0.000 0.400 372 L N -0.781 120.210 121.223 -0.387 0.000 2.265 372 L HA -0.164 4.179 4.340 0.004 0.000 0.215 372 L C 2.230 178.911 176.870 -0.315 0.000 1.117 372 L CA 1.745 56.431 54.840 -0.257 0.000 0.782 372 L CB -0.824 41.259 42.059 0.040 0.000 0.914 372 L HN 0.792 nan 8.230 nan 0.000 0.441 373 W N -0.295 120.723 121.300 -0.469 0.000 2.465 373 W HA -0.119 4.542 4.660 0.001 0.000 0.268 373 W C 1.816 178.212 176.519 -0.206 0.000 1.242 373 W CA 0.258 57.328 57.345 -0.457 0.000 1.248 373 W CB -0.568 28.505 29.460 -0.645 0.000 1.118 373 W HN 0.178 nan 8.180 nan 0.000 0.587 374 L N 2.417 123.004 121.223 -1.060 0.000 2.253 374 L HA 0.029 4.372 4.340 0.004 0.000 0.205 374 L C 1.189 177.768 176.870 -0.486 0.000 1.078 374 L CA 2.503 56.837 54.840 -0.844 0.000 0.805 374 L CB -0.458 40.786 42.059 -1.357 0.000 0.963 374 L HN -0.048 nan 8.230 nan 0.000 0.459 375 D N -2.939 117.179 120.400 -0.470 0.000 2.538 375 D HA 0.229 4.871 4.640 0.004 0.000 0.241 375 D C 0.575 176.668 176.300 -0.344 0.000 1.297 375 D CA 0.198 53.959 54.000 -0.398 0.000 0.804 375 D CB 0.110 40.683 40.800 -0.378 0.000 1.122 375 D HN 0.146 nan 8.370 nan 0.000 0.519 376 S N -0.972 114.564 115.700 -0.273 0.000 3.255 376 S HA 0.418 4.891 4.470 0.004 0.000 0.305 376 S C -1.494 173.056 174.600 -0.084 0.000 1.067 376 S CA -0.722 57.373 58.200 -0.175 0.000 0.966 376 S CB 0.741 63.862 63.200 -0.131 0.000 1.366 376 S HN -0.006 nan 8.310 nan 0.000 0.717 377 D N 0.887 121.277 120.400 -0.016 0.000 2.210 377 D HA 0.495 5.137 4.640 0.004 0.000 0.249 377 D C -1.392 174.985 176.300 0.128 0.000 1.078 377 D CA 0.350 54.369 54.000 0.031 0.000 0.875 377 D CB 1.255 42.061 40.800 0.011 0.000 1.175 377 D HN 0.436 nan 8.370 nan 0.000 0.440 378 Y N 1.022 121.309 120.300 -0.022 0.000 2.521 378 Y HA 0.245 4.797 4.550 0.004 0.000 0.332 378 Y C -2.669 173.235 175.900 0.007 0.000 1.121 378 Y CA -1.748 56.361 58.100 0.015 0.000 1.037 378 Y CB 2.087 40.591 38.460 0.074 0.000 1.330 378 Y HN 0.182 nan 8.280 nan 0.000 0.452 379 P HA 0.144 nan 4.420 nan 0.000 0.272 379 P C 0.428 177.491 177.300 -0.396 0.000 1.240 379 P CA 0.099 62.621 63.100 -0.965 0.000 0.791 379 P CB 0.657 31.968 31.700 -0.648 0.000 0.978 380 T N -3.768 110.601 114.554 -0.308 0.000 3.118 380 T HA -0.075 4.277 4.350 0.004 0.000 0.260 380 T C 0.755 175.403 174.700 -0.087 0.000 1.139 380 T CA 0.711 62.746 62.100 -0.109 0.000 1.085 380 T CB -0.722 68.121 68.868 -0.041 0.000 0.934 380 T HN 0.480 nan 8.240 nan 0.000 0.518 381 D N 0.034 120.366 120.400 -0.113 0.000 2.402 381 D HA 0.146 4.788 4.640 0.004 0.000 0.216 381 D C 0.252 176.513 176.300 -0.065 0.000 1.128 381 D CA -0.340 53.617 54.000 -0.071 0.000 0.833 381 D CB 0.176 40.938 40.800 -0.063 0.000 0.971 381 D HN 0.293 nan 8.370 nan 0.000 0.503 382 K N 0.614 120.968 120.400 -0.077 0.000 2.156 382 K HA 0.178 4.500 4.320 0.004 0.000 0.250 382 K C -0.491 176.084 176.600 -0.041 0.000 0.955 382 K CA -0.892 55.361 56.287 -0.057 0.000 0.855 382 K CB 1.672 34.133 32.500 -0.065 0.000 1.101 382 K HN -0.140 nan 8.250 nan 0.000 0.434 383 D N 2.631 123.015 120.400 -0.028 0.000 2.434 383 D HA 0.011 4.654 4.640 0.004 0.000 0.252 383 D C -1.796 174.494 176.300 -0.018 0.000 1.185 383 D CA -1.665 52.324 54.000 -0.019 0.000 0.886 383 D CB 1.146 41.938 40.800 -0.012 0.000 1.148 383 D HN 0.135 nan 8.370 nan 0.000 0.483 384 P HA -0.114 nan 4.420 nan 0.000 0.226 384 P C 1.030 178.331 177.300 0.002 0.000 1.146 384 P CA 0.943 64.041 63.100 -0.004 0.000 0.773 384 P CB 0.196 31.897 31.700 0.001 0.000 0.772 385 S N -1.936 113.763 115.700 -0.001 0.000 2.486 385 S HA 0.259 4.732 4.470 0.004 0.000 0.220 385 S C 1.128 175.727 174.600 -0.001 0.000 1.011 385 S CA -0.102 58.099 58.200 0.002 0.000 0.921 385 S CB -0.665 62.536 63.200 0.002 0.000 0.785 385 S HN 0.075 nan 8.310 nan 0.000 0.517 386 A N 2.961 125.776 122.820 -0.007 0.000 2.425 386 A HA 0.555 4.877 4.320 0.004 0.000 0.242 386 A C -2.545 175.032 177.584 -0.012 0.000 1.077 386 A CA -1.371 50.664 52.037 -0.002 0.000 0.781 386 A CB -0.574 18.423 19.000 -0.005 0.000 1.020 386 A HN 0.315 nan 8.150 nan 0.000 0.494 387 P HA 0.287 nan 4.420 nan 0.000 0.263 387 P C 0.968 178.167 177.300 -0.168 0.000 1.195 387 P CA 1.734 64.874 63.100 0.066 0.000 0.762 387 P CB 0.665 32.505 31.700 0.234 0.000 0.799 388 G N 1.531 109.995 108.800 -0.560 0.000 2.234 388 G HA2 -0.287 3.676 3.960 0.004 0.000 0.235 388 G HA3 -0.287 3.676 3.960 0.004 0.000 0.235 388 G C 0.910 175.465 174.900 -0.575 0.000 0.997 388 G CA 0.197 44.451 45.100 -1.410 0.000 0.623 388 G HN 0.381 nan 8.290 nan 0.000 0.514 389 V N 1.240 120.994 119.914 -0.267 0.000 2.346 389 V HA 0.393 4.515 4.120 0.004 0.000 0.244 389 V C 2.096 178.164 176.094 -0.043 0.000 1.037 389 V CA 1.968 64.198 62.300 -0.116 0.000 1.029 389 V CB -0.591 31.192 31.823 -0.066 0.000 0.663 389 V HN 1.262 nan 8.190 nan 0.000 0.454 390 A N 0.181 123.000 122.820 -0.002 0.000 2.354 390 A HA 0.454 4.776 4.320 0.004 0.000 0.281 390 A C 0.922 178.579 177.584 0.122 0.000 1.174 390 A CA -0.170 51.917 52.037 0.082 0.000 0.828 390 A CB 0.160 19.281 19.000 0.202 0.000 1.099 390 A HN 0.448 nan 8.150 nan 0.000 0.516 391 R N 1.547 122.021 120.500 -0.043 0.000 2.404 391 R HA 0.380 4.722 4.340 0.004 0.000 0.237 391 R C 0.847 176.808 176.300 -0.565 0.000 0.907 391 R CA 0.747 56.780 56.100 -0.112 0.000 1.063 391 R CB 1.066 31.314 30.300 -0.087 0.000 1.134 391 R HN 0.897 nan 8.270 nan 0.000 0.529 392 G N -1.379 106.820 108.800 -1.001 0.000 2.489 392 G HA2 0.152 4.114 3.960 0.004 0.000 0.305 392 G HA3 0.152 4.114 3.960 0.004 0.000 0.305 392 G C 0.027 174.374 174.900 -0.922 0.000 1.311 392 G CA -0.016 44.276 45.100 -1.346 0.000 0.813 392 G HN -0.036 nan 8.290 nan 0.000 0.480 393 T N -2.728 111.489 114.554 -0.561 0.000 3.044 393 T HA 0.172 4.525 4.350 0.004 0.000 0.250 393 T C 1.135 175.736 174.700 -0.164 0.000 1.081 393 T CA 0.365 62.330 62.100 -0.225 0.000 1.040 393 T CB -0.573 68.246 68.868 -0.080 0.000 0.962 393 T HN 0.595 nan 8.240 nan 0.000 0.506 394 c N 3.022 121.502 118.600 -0.200 0.000 2.641 394 c HA 0.594 5.167 4.570 0.004 0.000 0.412 394 c C 1.576 175.596 174.090 -0.117 0.000 1.312 394 c CA -0.848 55.389 56.329 -0.153 0.000 1.838 394 c CB -0.930 41.468 42.510 -0.188 0.000 2.682 394 c HN 0.768 nan 8.230 nan 0.000 0.627 395 A N 2.156 124.923 122.820 -0.088 0.000 2.406 395 A HA 0.324 4.647 4.320 0.004 0.000 0.243 395 A C 1.377 178.925 177.584 -0.059 0.000 1.082 395 A CA 0.367 52.367 52.037 -0.062 0.000 0.786 395 A CB 0.055 19.026 19.000 -0.047 0.000 1.029 395 A HN 0.978 nan 8.150 nan 0.000 0.495 396 T N -0.291 114.240 114.554 -0.038 0.000 3.163 396 T HA -0.041 4.311 4.350 0.004 0.000 0.260 396 T C 1.389 176.078 174.700 -0.018 0.000 1.156 396 T CA 1.808 63.894 62.100 -0.023 0.000 1.072 396 T CB -0.725 68.139 68.868 -0.006 0.000 0.937 396 T HN 0.924 nan 8.240 nan 0.000 0.528 397 T N -0.857 113.682 114.554 -0.026 0.000 3.086 397 T HA 0.242 4.594 4.350 0.004 0.000 0.250 397 T C 1.071 175.749 174.700 -0.036 0.000 1.074 397 T CA 0.156 62.243 62.100 -0.022 0.000 0.988 397 T CB -0.113 68.743 68.868 -0.019 0.000 0.988 397 T HN 0.400 nan 8.240 nan 0.000 0.530 398 S N 0.407 116.074 115.700 -0.056 0.000 2.634 398 S HA 0.537 5.009 4.470 0.004 0.000 0.261 398 S C 1.568 176.114 174.600 -0.091 0.000 1.271 398 S CA 0.083 58.237 58.200 -0.076 0.000 0.985 398 S CB 0.385 63.525 63.200 -0.101 0.000 0.968 398 S HN 1.247 nan 8.310 nan 0.000 0.568 399 G N -0.982 107.752 108.800 -0.110 0.000 2.162 399 G HA2 -0.235 3.727 3.960 0.004 0.000 0.260 399 G HA3 -0.235 3.727 3.960 0.004 0.000 0.260 399 G C 0.048 174.889 174.900 -0.099 0.000 0.976 399 G CA -0.005 45.015 45.100 -0.133 0.000 0.655 399 G HN 1.250 nan 8.290 nan 0.000 0.533 400 V N 1.392 121.267 119.914 -0.065 0.000 2.450 400 V HA 0.131 4.254 4.120 0.004 0.000 0.281 400 V C 0.016 176.074 176.094 -0.060 0.000 1.019 400 V CA -0.088 62.180 62.300 -0.053 0.000 1.062 400 V CB 1.051 32.858 31.823 -0.026 0.000 0.979 400 V HN 0.119 nan 8.190 nan 0.000 0.477 401 P HA -0.187 nan 4.420 nan 0.000 0.215 401 P C 1.973 179.269 177.300 -0.007 0.000 1.157 401 P CA 1.850 64.883 63.100 -0.111 0.000 0.874 401 P CB 0.051 31.485 31.700 -0.444 0.000 0.790 402 S N -1.149 114.546 115.700 -0.009 0.000 2.387 402 S HA -0.255 4.217 4.470 0.004 0.000 0.230 402 S C 1.999 176.614 174.600 0.025 0.000 1.035 402 S CA 1.746 59.959 58.200 0.022 0.000 1.014 402 S CB -1.446 61.768 63.200 0.024 0.000 0.836 402 S HN 0.143 nan 8.310 nan 0.000 0.466 403 D N 0.740 121.150 120.400 0.015 0.000 2.085 403 D HA -0.067 4.576 4.640 0.004 0.000 0.199 403 D C 2.121 178.446 176.300 0.042 0.000 0.981 403 D CA 1.369 55.380 54.000 0.018 0.000 0.834 403 D CB -0.237 40.563 40.800 0.001 0.000 0.992 403 D HN 0.318 nan 8.370 nan 0.000 0.457 404 V N 1.240 121.187 119.914 0.055 0.000 2.490 404 V HA -0.201 3.922 4.120 0.004 0.000 0.250 404 V C 1.811 178.053 176.094 0.247 0.000 1.061 404 V CA 1.930 64.296 62.300 0.110 0.000 1.064 404 V CB -0.315 31.538 31.823 0.050 0.000 0.670 404 V HN 0.181 nan 8.190 nan 0.000 0.461 405 E N -0.352 119.975 120.200 0.211 0.000 2.204 405 E HA -0.130 4.223 4.350 0.004 0.000 0.194 405 E C 2.316 178.943 176.600 0.045 0.000 0.989 405 E CA 1.417 57.875 56.400 0.096 0.000 0.824 405 E CB -0.108 29.582 29.700 -0.016 0.000 0.756 405 E HN 0.596 nan 8.360 nan 0.000 0.477 406 S N 0.524 116.254 115.700 0.050 0.000 2.404 406 S HA -0.117 4.355 4.470 0.004 0.000 0.223 406 S C 1.970 176.593 174.600 0.039 0.000 1.040 406 S CA 0.551 58.769 58.200 0.030 0.000 0.957 406 S CB 0.036 63.249 63.200 0.021 0.000 0.826 406 S HN 0.236 nan 8.310 nan 0.000 0.491 407 Q N 1.157 120.987 119.800 0.051 0.000 2.096 407 Q HA -0.033 4.310 4.340 0.004 0.000 0.197 407 Q C 0.668 176.701 176.000 0.056 0.000 0.964 407 Q CA 1.306 57.134 55.803 0.041 0.000 0.838 407 Q CB 0.257 29.012 28.738 0.028 0.000 0.906 407 Q HN 0.453 nan 8.270 nan 0.000 0.444 408 V N -2.617 117.357 119.914 0.100 0.000 2.647 408 V HA 0.375 4.497 4.120 0.004 0.000 0.305 408 V C -2.420 173.805 176.094 0.218 0.000 1.162 408 V CA -1.220 61.147 62.300 0.112 0.000 1.248 408 V CB 0.764 32.623 31.823 0.061 0.000 1.508 408 V HN 0.061 nan 8.190 nan 0.000 0.647 409 P HA 0.011 nan 4.420 nan 0.000 0.223 409 P C 0.914 178.313 177.300 0.164 0.000 1.151 409 P CA 1.083 64.273 63.100 0.150 0.000 0.787 409 P CB 0.087 31.802 31.700 0.024 0.000 0.788 410 N N -0.925 117.851 118.700 0.126 0.000 2.268 410 N HA 0.071 4.814 4.740 0.004 0.000 0.204 410 N C 0.022 175.597 175.510 0.108 0.000 1.124 410 N CA 0.189 53.299 53.050 0.100 0.000 0.838 410 N CB -0.153 38.369 38.487 0.059 0.000 0.994 410 N HN 0.050 nan 8.380 nan 0.000 0.489 411 S N 1.494 117.282 115.700 0.147 0.000 2.558 411 S HA 0.030 4.503 4.470 0.004 0.000 0.287 411 S C 0.597 175.257 174.600 0.100 0.000 1.321 411 S CA 0.148 58.400 58.200 0.087 0.000 1.048 411 S CB 0.513 63.720 63.200 0.011 0.000 0.844 411 S HN 0.444 nan 8.310 nan 0.000 0.512 412 Q N -0.614 119.207 119.800 0.034 0.000 2.578 412 Q HA 0.763 5.106 4.340 0.004 0.000 0.284 412 Q C -1.863 174.119 176.000 -0.028 0.000 0.960 412 Q CA -0.979 54.844 55.803 0.032 0.000 0.809 412 Q CB 1.631 30.391 28.738 0.037 0.000 1.462 412 Q HN 0.444 nan 8.270 nan 0.000 0.392 413 V N 1.101 120.978 119.914 -0.063 0.000 2.823 413 V HA 0.770 4.893 4.120 0.004 0.000 0.312 413 V C -1.485 174.462 176.094 -0.245 0.000 1.072 413 V CA -0.595 61.587 62.300 -0.197 0.000 0.937 413 V CB 2.227 33.863 31.823 -0.312 0.000 1.013 413 V HN 0.710 nan 8.190 nan 0.000 0.430 414 V N 6.494 126.226 119.914 -0.303 0.000 2.444 414 V HA 0.556 4.679 4.120 0.004 0.000 0.294 414 V C -0.941 175.013 176.094 -0.234 0.000 1.022 414 V CA -0.463 61.722 62.300 -0.192 0.000 0.850 414 V CB 1.359 33.133 31.823 -0.082 0.000 0.992 414 V HN 0.702 nan 8.190 nan 0.000 0.426 415 F N 3.134 123.113 119.950 0.048 0.000 2.436 415 F HA 0.783 5.311 4.527 0.002 0.000 0.340 415 F C 0.626 176.456 175.800 0.051 0.000 1.113 415 F CA -0.213 57.825 58.000 0.062 0.000 1.022 415 F CB 2.151 41.173 39.000 0.037 0.000 1.128 415 F HN 0.603 nan 8.300 nan 0.000 0.466 416 S N 1.184 117.035 115.700 0.253 0.000 2.671 416 S HA 0.496 4.968 4.470 0.004 0.000 0.277 416 S C -0.482 174.178 174.600 0.100 0.000 1.165 416 S CA -1.057 57.222 58.200 0.133 0.000 0.822 416 S CB 1.421 64.661 63.200 0.066 0.000 1.150 416 S HN 0.644 nan 8.310 nan 0.000 0.479 417 N N -0.017 118.706 118.700 0.039 0.000 2.705 417 N HA -0.149 4.593 4.740 0.004 0.000 0.255 417 N C -0.896 174.597 175.510 -0.028 0.000 1.008 417 N CA 0.599 53.645 53.050 -0.007 0.000 0.742 417 N CB -1.632 36.840 38.487 -0.024 0.000 0.906 417 N HN 0.685 nan 8.380 nan 0.000 0.541 418 I N 0.760 121.316 120.570 -0.024 0.000 2.471 418 I HA 0.062 4.235 4.170 0.004 0.000 0.286 418 I C 0.594 176.565 176.117 -0.244 0.000 1.079 418 I CA 0.320 61.564 61.300 -0.092 0.000 1.398 418 I CB 0.485 38.497 38.000 0.020 0.000 1.403 418 I HN 0.138 nan 8.210 nan 0.000 0.530 419 K N 7.173 127.336 120.400 -0.395 0.000 2.502 419 K HA 0.690 5.013 4.320 0.004 0.000 0.257 419 K C -1.326 175.017 176.600 -0.429 0.000 0.938 419 K CA -0.652 55.356 56.287 -0.464 0.000 0.819 419 K CB 2.515 34.854 32.500 -0.269 0.000 1.333 419 K HN 0.396 nan 8.250 nan 0.000 0.434 420 F N -1.351 118.517 119.950 -0.136 0.000 2.631 420 F HA 0.867 5.395 4.527 0.001 0.000 0.308 420 F C 0.070 175.885 175.800 0.025 0.000 1.097 420 F CA -0.773 57.208 58.000 -0.032 0.000 0.952 420 F CB 1.779 40.828 39.000 0.083 0.000 1.307 420 F HN 0.720 nan 8.300 nan 0.000 0.450 421 G N 0.308 109.273 108.800 0.274 0.000 2.398 421 G HA2 0.193 4.156 3.960 0.004 0.000 0.251 421 G HA3 0.193 4.156 3.960 0.004 0.000 0.251 421 G C -2.024 172.964 174.900 0.146 0.000 1.277 421 G CA -0.886 44.324 45.100 0.183 0.000 0.927 421 G HN 0.686 nan 8.290 nan 0.000 0.477 422 D N 0.818 121.273 120.400 0.092 0.000 2.443 422 D HA 0.280 4.922 4.640 0.004 0.000 0.239 422 D C 1.021 177.367 176.300 0.077 0.000 1.136 422 D CA 0.246 54.292 54.000 0.077 0.000 0.879 422 D CB 0.865 41.690 40.800 0.042 0.000 1.195 422 D HN 0.427 nan 8.370 nan 0.000 0.443 423 I N 1.347 121.968 120.570 0.085 0.000 2.821 423 I HA -0.066 4.106 4.170 0.004 0.000 0.294 423 I C 1.724 177.861 176.117 0.032 0.000 1.210 423 I CA 0.847 62.196 61.300 0.082 0.000 1.430 423 I CB -0.072 37.976 38.000 0.079 0.000 1.356 423 I HN 0.713 nan 8.210 nan 0.000 0.563 424 G N 4.136 112.956 108.800 0.033 0.000 2.179 424 G HA2 -0.332 3.631 3.960 0.004 0.000 0.260 424 G HA3 -0.332 3.631 3.960 0.004 0.000 0.260 424 G C 0.877 175.648 174.900 -0.215 0.000 0.977 424 G CA 0.618 45.634 45.100 -0.140 0.000 0.641 424 G HN 0.769 nan 8.290 nan 0.000 0.533 425 S N -0.580 115.077 115.700 -0.072 0.000 2.535 425 S HA 0.172 4.645 4.470 0.004 0.000 0.214 425 S C 2.006 176.585 174.600 -0.035 0.000 0.980 425 S CA 1.428 59.584 58.200 -0.072 0.000 0.907 425 S CB 0.005 63.186 63.200 -0.031 0.000 0.790 425 S HN 1.225 nan 8.310 nan 0.000 0.510 426 T N -0.435 114.151 114.554 0.053 0.000 3.100 426 T HA 0.350 4.703 4.350 0.004 0.000 0.253 426 T C 0.182 174.988 174.700 0.176 0.000 1.118 426 T CA -0.320 61.829 62.100 0.081 0.000 1.058 426 T CB -0.728 68.186 68.868 0.077 0.000 0.953 426 T HN 0.579 nan 8.240 nan 0.000 0.515 427 F N 0.502 120.418 119.950 -0.057 0.000 2.643 427 F HA 0.843 5.356 4.527 -0.023 0.000 0.314 427 F C -0.852 174.924 175.800 -0.039 0.000 1.096 427 F CA -1.555 56.413 58.000 -0.053 0.000 0.953 427 F CB 1.338 40.303 39.000 -0.058 0.000 1.345 427 F HN 0.081 nan 8.300 nan 0.000 0.468 428 S N -0.022 115.623 115.700 -0.092 0.000 2.651 428 S HA 0.989 5.462 4.470 0.004 0.000 0.279 428 S C -0.856 173.712 174.600 -0.052 0.000 1.148 428 S CA -0.361 57.718 58.200 -0.202 0.000 0.837 428 S CB 1.459 64.591 63.200 -0.113 0.000 1.138 428 S HN 1.669 nan 8.310 nan 0.000 0.478 429 G N -0.684 108.068 108.800 -0.080 0.000 2.619 429 G HA2 0.708 4.670 3.960 0.004 0.000 0.296 429 G HA3 0.708 4.670 3.960 0.004 0.000 0.296 429 G C -1.237 173.651 174.900 -0.020 0.000 1.334 429 G CA -0.548 44.546 45.100 -0.011 0.000 0.934 429 G HN 0.953 nan 8.290 nan 0.000 0.476 430 T N -1.352 113.202 114.554 -0.000 0.000 2.853 430 T HA 0.713 5.066 4.350 0.004 0.000 0.311 430 T C -0.031 174.671 174.700 0.003 0.000 1.307 430 T CA 0.175 62.272 62.100 -0.005 0.000 1.019 430 T CB 1.505 70.368 68.868 -0.007 0.000 1.264 430 T HN 1.383 nan 8.240 nan 0.000 0.497 431 S N 0.000 115.700 115.700 0.000 0.000 2.498 431 S HA 0.000 4.473 4.470 0.004 0.000 0.327 431 S CA 0.000 58.202 58.200 0.003 0.000 1.107 431 S CB 0.000 63.202 63.200 0.003 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517