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 3h1k_1_P DATA FIRST_RESID 2 DATA SEQUENCE APNIRKSHPL LKMINNSLID LPAPSNISAW WNFGSLLAVC LMTQILTGLL DATA SEQUENCE LAMHYTADTS LAFSSVAHTC RNVQYGWLIR NLHANGASFF FICIFLHIGR DATA SEQUENCE GLYYGSYLYK ETWNTGVILL LTLMATAFVG YVLPWGQMSF WGATVITNLF DATA SEQUENCE SAIPYIGHTL VEWAWGGFSV DNPTLTRFFA LHFLLPFAIA GITIIHLTFL DATA SEQUENCE HESGSNNPLG ISSDSDKIPF HPYYSFKDIL GLTLMLTPFL TLALFSPNLL DATA SEQUENCE GDPENFTPAN PLVTPPHIKP EWYFLFAYAI LRSIPNKLGG VLALAASVLI DATA SEQUENCE LFLIPFLHKS KQRTMTFRPL SQTLFWLLVA NLLILTWIGS QPVEHPFIII DATA SEQUENCE GQMASLSYFT ILLILFPTIG TLENKMLNY 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.014 0.000 1.274 2 A CA 0.000 52.046 52.037 0.016 0.000 0.836 2 A CB 0.000 19.012 19.000 0.020 0.000 0.831 3 P HA -0.112 nan 4.420 nan 0.000 0.208 3 P C 0.552 177.856 177.300 0.007 0.000 1.195 3 P CA 1.382 64.487 63.100 0.008 0.000 0.927 3 P CB -0.577 31.128 31.700 0.007 0.000 0.778 4 N N 0.427 119.131 118.700 0.007 0.000 2.262 4 N HA -0.025 4.715 4.740 -0.000 0.000 0.260 4 N C 0.667 176.179 175.510 0.003 0.000 1.305 4 N CA 0.122 53.174 53.050 0.003 0.000 0.913 4 N CB 0.367 38.856 38.487 0.004 0.000 1.116 4 N HN 0.028 nan 8.380 nan 0.000 0.512 5 I N -0.648 119.917 120.570 -0.007 0.000 3.707 5 I HA 0.153 4.323 4.170 -0.000 0.000 0.330 5 I C 0.995 177.104 176.117 -0.013 0.000 1.572 5 I CA 0.046 61.338 61.300 -0.014 0.000 1.104 5 I CB -0.835 37.134 38.000 -0.052 0.000 1.240 5 I HN 0.687 nan 8.210 nan 0.000 0.475 6 R N -0.206 120.300 120.500 0.011 0.000 2.549 6 R HA 0.362 4.702 4.340 -0.000 0.000 0.344 6 R C 0.698 177.025 176.300 0.045 0.000 0.979 6 R CA -0.165 55.950 56.100 0.025 0.000 1.140 6 R CB 0.295 30.597 30.300 0.003 0.000 1.377 6 R HN 0.024 nan 8.270 nan 0.000 0.541 7 K N 0.325 120.751 120.400 0.045 0.000 2.464 7 K HA 0.124 4.444 4.320 -0.000 0.000 0.206 7 K C 0.867 177.493 176.600 0.042 0.000 1.186 7 K CA 0.614 56.923 56.287 0.037 0.000 0.990 7 K CB 1.344 33.859 32.500 0.025 0.000 1.003 7 K HN 0.167 nan 8.250 nan 0.000 0.562 8 S N -0.565 115.170 115.700 0.058 0.000 2.539 8 S HA 0.099 4.569 4.470 -0.000 0.000 0.221 8 S C -0.064 174.590 174.600 0.090 0.000 0.987 8 S CA -0.316 57.918 58.200 0.056 0.000 0.929 8 S CB -0.204 63.023 63.200 0.046 0.000 0.832 8 S HN 0.190 nan 8.310 nan 0.000 0.492 9 H N 3.703 122.771 119.070 -0.005 0.000 2.581 9 H HA 0.400 4.956 4.556 -0.000 0.000 0.308 9 H C -2.038 173.285 175.328 -0.007 0.000 1.040 9 H CA -1.843 54.201 56.048 -0.006 0.000 1.231 9 H CB 1.455 31.213 29.762 -0.007 0.000 1.396 9 H HN -0.056 nan 8.280 nan 0.000 0.467 10 P HA -0.162 nan 4.420 nan 0.000 0.231 10 P C 0.617 177.834 177.300 -0.139 0.000 1.154 10 P CA 0.977 63.982 63.100 -0.157 0.000 0.762 10 P CB 0.614 32.216 31.700 -0.164 0.000 0.790 11 L N -1.667 119.468 121.223 -0.148 0.000 2.588 11 L HA 0.159 4.499 4.340 -0.000 0.000 0.194 11 L C 2.469 179.416 176.870 0.128 0.000 1.070 11 L CA 0.214 55.060 54.840 0.011 0.000 0.852 11 L CB -0.402 41.682 42.059 0.041 0.000 1.199 11 L HN -0.204 nan 8.230 nan 0.000 0.486 12 L N 0.500 121.903 121.223 0.300 0.000 2.265 12 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 12 L C 2.261 179.182 176.870 0.084 0.000 1.117 12 L CA 1.013 55.943 54.840 0.150 0.000 0.782 12 L CB -0.439 41.676 42.059 0.092 0.000 0.914 12 L HN 0.256 nan 8.230 nan 0.000 0.441 13 K N 0.445 120.896 120.400 0.085 0.000 2.504 13 K HA -0.055 4.265 4.320 -0.000 0.000 0.195 13 K C 1.611 178.227 176.600 0.026 0.000 1.036 13 K CA 0.751 57.065 56.287 0.044 0.000 0.984 13 K CB 0.196 32.715 32.500 0.032 0.000 0.788 13 K HN 0.371 nan 8.250 nan 0.000 0.488 14 M N -0.490 119.127 119.600 0.027 0.000 2.379 14 M HA 0.164 4.644 4.480 -0.000 0.000 0.265 14 M C 1.245 177.553 176.300 0.013 0.000 1.095 14 M CA 0.156 55.466 55.300 0.016 0.000 1.075 14 M CB 0.623 33.226 32.600 0.005 0.000 1.443 14 M HN 0.011 nan 8.290 nan 0.000 0.519 15 I N -0.146 120.434 120.570 0.016 0.000 3.603 15 I HA -0.022 4.148 4.170 -0.000 0.000 0.297 15 I C 1.720 177.830 176.117 -0.012 0.000 1.269 15 I CA 0.525 61.826 61.300 0.000 0.000 1.361 15 I CB -0.261 37.742 38.000 0.006 0.000 1.063 15 I HN 0.311 nan 8.210 nan 0.000 0.448 16 N N 1.256 119.956 118.700 -0.000 0.000 2.530 16 N HA 0.013 4.753 4.740 -0.000 0.000 0.216 16 N C 0.758 176.264 175.510 -0.007 0.000 1.031 16 N CA 0.535 53.584 53.050 -0.002 0.000 1.063 16 N CB 0.233 38.726 38.487 0.011 0.000 1.346 16 N HN -0.049 nan 8.380 nan 0.000 0.515 17 N N 0.672 119.373 118.700 0.002 0.000 3.059 17 N HA 0.005 4.745 4.740 -0.000 0.000 0.321 17 N C -0.386 175.116 175.510 -0.012 0.000 1.224 17 N CA 0.702 53.748 53.050 -0.007 0.000 1.197 17 N CB -0.085 38.406 38.487 0.008 0.000 1.453 17 N HN 0.522 nan 8.380 nan 0.000 0.544 18 S N -2.051 113.614 115.700 -0.059 0.000 3.029 18 S HA 0.059 4.529 4.470 -0.000 0.000 0.146 18 S C 0.391 174.874 174.600 -0.195 0.000 0.800 18 S CA -0.370 57.801 58.200 -0.048 0.000 1.619 18 S CB -0.208 63.068 63.200 0.127 0.000 1.119 18 S HN 0.235 nan 8.310 nan 0.000 0.632 19 L N 0.459 121.553 121.223 -0.214 0.000 3.888 19 L HA 0.542 4.882 4.340 -0.000 0.000 0.369 19 L C 0.608 177.439 176.870 -0.065 0.000 1.200 19 L CA 0.177 54.790 54.840 -0.378 0.000 1.268 19 L CB 0.520 42.432 42.059 -0.245 0.000 1.573 19 L HN 0.265 nan 8.230 nan 0.000 0.632 20 I N -1.231 119.367 120.570 0.046 0.000 4.317 20 I HA 0.091 4.261 4.170 -0.000 0.000 0.289 20 I C 0.551 176.777 176.117 0.181 0.000 1.164 20 I CA 0.347 61.750 61.300 0.172 0.000 1.312 20 I CB 0.902 38.934 38.000 0.054 0.000 1.569 20 I HN -0.029 nan 8.210 nan 0.000 0.450 21 D N 1.267 121.725 120.400 0.096 0.000 2.349 21 D HA 0.135 4.775 4.640 -0.000 0.000 0.214 21 D C 0.414 176.759 176.300 0.075 0.000 1.063 21 D CA -0.038 54.013 54.000 0.085 0.000 0.847 21 D CB 0.400 41.230 40.800 0.048 0.000 0.933 21 D HN -0.056 nan 8.370 nan 0.000 0.513 22 L N 2.088 123.348 121.223 0.062 0.000 2.628 22 L HA 0.163 4.503 4.340 -0.000 0.000 0.274 22 L C -2.380 174.543 176.870 0.088 0.000 1.209 22 L CA -1.223 53.620 54.840 0.004 0.000 0.930 22 L CB 0.124 42.121 42.059 -0.104 0.000 1.183 22 L HN -0.184 nan 8.230 nan 0.000 0.492 23 P HA 0.268 nan 4.420 nan 0.000 0.269 23 P C -1.243 176.102 177.300 0.076 0.000 1.252 23 P CA 0.049 63.190 63.100 0.069 0.000 0.780 23 P CB 0.792 32.511 31.700 0.033 0.000 0.829 24 A N 5.758 128.660 122.820 0.137 0.000 2.365 24 A HA 0.737 5.057 4.320 -0.000 0.000 0.318 24 A C -2.651 174.977 177.584 0.072 0.000 1.091 24 A CA -2.273 49.816 52.037 0.086 0.000 0.763 24 A CB 0.693 19.773 19.000 0.133 0.000 1.248 24 A HN 0.264 nan 8.150 nan 0.000 0.442 25 P HA 0.015 nan 4.420 nan 0.000 0.270 25 P C 0.872 178.193 177.300 0.035 0.000 1.221 25 P CA 0.505 63.573 63.100 -0.055 0.000 0.788 25 P CB 0.596 32.187 31.700 -0.183 0.000 0.904 26 S N -0.433 115.266 115.700 -0.002 0.000 2.517 26 S HA -0.017 4.453 4.470 -0.000 0.000 0.214 26 S C 0.981 175.553 174.600 -0.046 0.000 0.991 26 S CA 0.079 58.265 58.200 -0.023 0.000 0.906 26 S CB -0.671 62.470 63.200 -0.098 0.000 0.789 26 S HN 0.562 nan 8.310 nan 0.000 0.513 27 N N 2.131 120.784 118.700 -0.078 0.000 2.204 27 N HA 0.120 4.860 4.740 -0.000 0.000 0.219 27 N C 0.397 175.780 175.510 -0.211 0.000 1.151 27 N CA -0.491 52.491 53.050 -0.112 0.000 0.867 27 N CB -0.284 38.142 38.487 -0.102 0.000 1.043 27 N HN 0.684 nan 8.380 nan 0.000 0.516 28 I N 0.185 120.567 120.570 -0.313 0.000 2.754 28 I HA 0.204 4.374 4.170 -0.000 0.000 0.285 28 I C 0.663 176.643 176.117 -0.229 0.000 1.166 28 I CA -0.702 60.192 61.300 -0.677 0.000 1.417 28 I CB 0.804 38.130 38.000 -1.125 0.000 1.382 28 I HN 0.036 nan 8.210 nan 0.000 0.588 29 S N 4.186 119.816 115.700 -0.117 0.000 2.590 29 S HA 0.620 5.090 4.470 -0.000 0.000 0.282 29 S C 1.242 175.970 174.600 0.213 0.000 1.136 29 S CA -0.274 58.009 58.200 0.139 0.000 1.030 29 S CB 1.017 64.374 63.200 0.262 0.000 1.195 29 S HN 0.873 nan 8.310 nan 0.000 0.506 30 A N -0.722 122.115 122.820 0.028 0.000 2.067 30 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 30 A C 1.397 178.839 177.584 -0.237 0.000 1.158 30 A CA 0.608 52.530 52.037 -0.191 0.000 0.661 30 A CB -1.141 17.630 19.000 -0.382 0.000 0.801 30 A HN 0.837 nan 8.150 nan 0.000 0.452 31 W N -1.869 119.610 121.300 0.298 0.000 3.096 31 W HA 0.072 4.732 4.660 -0.000 0.000 0.241 31 W C 1.366 177.934 176.519 0.082 0.000 1.316 31 W CA -0.579 56.949 57.345 0.304 0.000 1.520 31 W CB -0.135 29.436 29.460 0.184 0.000 1.128 31 W HN 0.461 nan 8.180 nan 0.000 0.707 32 W N -0.580 120.782 121.300 0.103 0.000 2.975 32 W HA 0.032 4.692 4.660 -0.000 0.000 0.316 32 W C 0.892 177.422 176.519 0.019 0.000 1.131 32 W CA -0.080 57.313 57.345 0.081 0.000 1.624 32 W CB -0.188 29.262 29.460 -0.017 0.000 1.038 32 W HN -0.112 nan 8.180 nan 0.000 0.571 33 N N 0.762 119.443 118.700 -0.032 0.000 2.331 33 N HA -0.121 4.619 4.740 -0.000 0.000 0.180 33 N C 1.181 176.545 175.510 -0.243 0.000 1.019 33 N CA 1.139 54.085 53.050 -0.173 0.000 0.881 33 N CB -0.925 37.342 38.487 -0.367 0.000 0.972 33 N HN -0.053 nan 8.380 nan 0.000 0.435 34 F N 0.838 120.834 119.950 0.077 0.000 2.307 34 F HA -0.011 4.516 4.527 -0.000 0.000 0.301 34 F C 2.347 178.072 175.800 -0.125 0.000 1.076 34 F CA 0.715 58.708 58.000 -0.011 0.000 1.383 34 F CB -1.082 37.961 39.000 0.071 0.000 1.055 34 F HN 0.058 nan 8.300 nan 0.000 0.526 35 G N 0.111 108.974 108.800 0.106 0.000 2.524 35 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.215 35 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.215 35 G C 1.866 176.746 174.900 -0.033 0.000 1.239 35 G CA 1.470 46.578 45.100 0.013 0.000 0.798 35 G HN 0.431 nan 8.290 nan 0.000 0.557 36 S N 0.821 116.552 115.700 0.052 0.000 2.359 36 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 36 S C 2.432 177.029 174.600 -0.005 0.000 1.035 36 S CA 1.473 59.703 58.200 0.051 0.000 1.018 36 S CB -0.622 62.656 63.200 0.130 0.000 0.876 36 S HN 0.274 nan 8.310 nan 0.000 0.448 37 L N 0.941 122.153 121.223 -0.019 0.000 1.997 37 L HA -0.154 4.186 4.340 -0.000 0.000 0.216 37 L C 2.835 179.629 176.870 -0.127 0.000 1.074 37 L CA 1.763 56.596 54.840 -0.013 0.000 0.763 37 L CB -0.790 41.260 42.059 -0.015 0.000 0.890 37 L HN 0.322 nan 8.230 nan 0.000 0.434 38 L N -0.760 120.304 121.223 -0.265 0.000 2.021 38 L HA -0.315 4.025 4.340 -0.000 0.000 0.215 38 L C 2.780 179.407 176.870 -0.405 0.000 1.074 38 L CA 1.446 55.976 54.840 -0.517 0.000 0.760 38 L CB -0.628 41.099 42.059 -0.553 0.000 0.889 38 L HN 0.346 nan 8.230 nan 0.000 0.433 39 A N -0.275 122.426 122.820 -0.198 0.000 1.824 39 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 39 A C 2.196 179.748 177.584 -0.053 0.000 1.209 39 A CA 2.015 53.997 52.037 -0.091 0.000 0.614 39 A CB -1.124 17.857 19.000 -0.031 0.000 0.852 39 A HN 0.175 nan 8.150 nan 0.000 0.447 40 V N -0.503 119.403 119.914 -0.014 0.000 2.311 40 V HA -0.423 3.697 4.120 -0.000 0.000 0.256 40 V C 2.664 178.782 176.094 0.040 0.000 1.077 40 V CA 2.210 64.527 62.300 0.029 0.000 1.067 40 V CB -1.829 30.030 31.823 0.060 0.000 0.659 40 V HN 0.787 nan 8.190 nan 0.000 0.451 41 C N -0.587 118.711 119.300 -0.005 0.000 2.393 41 C HA -0.207 4.253 4.460 -0.000 0.000 0.276 41 C C 2.643 177.715 174.990 0.137 0.000 1.215 41 C CA 1.745 60.771 59.018 0.013 0.000 1.743 41 C CB -1.064 26.447 27.740 -0.382 0.000 2.044 41 C HN 0.612 nan 8.230 nan 0.000 0.464 42 L N 0.598 121.909 121.223 0.146 0.000 1.989 42 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 42 L C 2.419 179.358 176.870 0.115 0.000 1.071 42 L CA 2.220 57.223 54.840 0.272 0.000 0.749 42 L CB -0.795 41.377 42.059 0.190 0.000 0.890 42 L HN 0.254 nan 8.230 nan 0.000 0.431 43 M N -0.868 118.776 119.600 0.074 0.000 2.143 43 M HA -0.222 4.258 4.480 -0.000 0.000 0.258 43 M C 2.051 178.387 176.300 0.060 0.000 1.071 43 M CA 2.315 57.649 55.300 0.056 0.000 1.088 43 M CB -1.836 30.792 32.600 0.046 0.000 1.360 43 M HN 0.448 nan 8.290 nan 0.000 0.404 44 T N -1.147 113.458 114.554 0.085 0.000 2.781 44 T HA -0.068 4.282 4.350 -0.000 0.000 0.252 44 T C 1.848 176.619 174.700 0.119 0.000 1.039 44 T CA 0.565 62.723 62.100 0.096 0.000 1.147 44 T CB -0.281 68.659 68.868 0.120 0.000 0.865 44 T HN 0.225 nan 8.240 nan 0.000 0.423 45 Q N 0.942 120.833 119.800 0.151 0.000 2.118 45 Q HA -0.113 4.227 4.340 -0.000 0.000 0.211 45 Q C 2.442 178.521 176.000 0.132 0.000 0.998 45 Q CA 1.492 57.398 55.803 0.171 0.000 0.872 45 Q CB -0.788 27.981 28.738 0.051 0.000 0.925 45 Q HN 0.559 nan 8.270 nan 0.000 0.414 46 I N 0.128 120.692 120.570 -0.010 0.000 2.151 46 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 46 I C 2.353 178.411 176.117 -0.098 0.000 1.080 46 I CA 0.865 62.078 61.300 -0.145 0.000 1.339 46 I CB -0.297 37.609 38.000 -0.157 0.000 1.039 46 I HN 0.181 nan 8.210 nan 0.000 0.409 47 L N 0.615 121.828 121.223 -0.017 0.000 1.994 47 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 47 L C 2.805 179.659 176.870 -0.026 0.000 1.071 47 L CA 2.635 57.471 54.840 -0.007 0.000 0.745 47 L CB -0.982 41.088 42.059 0.018 0.000 0.892 47 L HN 0.445 nan 8.230 nan 0.000 0.431 48 T N -3.648 110.912 114.554 0.010 0.000 2.821 48 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 48 T C 1.989 176.551 174.700 -0.230 0.000 1.046 48 T CA 0.867 62.955 62.100 -0.020 0.000 1.139 48 T CB -1.427 67.517 68.868 0.127 0.000 0.871 48 T HN 0.391 nan 8.240 nan 0.000 0.454 49 G N 1.841 110.462 108.800 -0.298 0.000 2.446 49 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 49 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 49 G C 1.515 176.200 174.900 -0.358 0.000 1.168 49 G CA 0.974 45.735 45.100 -0.565 0.000 0.771 49 G HN 0.523 nan 8.290 nan 0.000 0.551 50 L N -0.197 120.875 121.223 -0.250 0.000 1.961 50 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 50 L C 2.906 179.753 176.870 -0.038 0.000 1.072 50 L CA 0.716 55.468 54.840 -0.146 0.000 0.749 50 L CB -0.693 41.336 42.059 -0.051 0.000 0.889 50 L HN 0.145 nan 8.230 nan 0.000 0.432 51 L N -0.407 120.801 121.223 -0.026 0.000 2.123 51 L HA -0.321 4.019 4.340 -0.000 0.000 0.217 51 L C 2.476 179.408 176.870 0.103 0.000 1.081 51 L CA 1.433 56.296 54.840 0.039 0.000 0.772 51 L CB -0.453 41.614 42.059 0.013 0.000 0.890 51 L HN 0.317 nan 8.230 nan 0.000 0.437 52 L N -1.451 119.777 121.223 0.008 0.000 2.084 52 L HA -0.078 4.262 4.340 -0.000 0.000 0.202 52 L C 2.825 179.778 176.870 0.139 0.000 1.074 52 L CA 0.956 55.827 54.840 0.051 0.000 0.757 52 L CB -0.834 41.157 42.059 -0.113 0.000 0.918 52 L HN 0.207 nan 8.230 nan 0.000 0.444 53 A N 0.165 123.058 122.820 0.120 0.000 2.054 53 A HA -0.258 4.062 4.320 -0.000 0.000 0.223 53 A C 2.165 179.905 177.584 0.259 0.000 1.169 53 A CA 1.880 54.108 52.037 0.319 0.000 0.655 53 A CB -0.634 18.588 19.000 0.370 0.000 0.812 53 A HN 0.452 nan 8.150 nan 0.000 0.462 54 M N -1.880 117.791 119.600 0.119 0.000 2.659 54 M HA -0.021 4.459 4.480 -0.000 0.000 0.243 54 M C 0.814 176.932 176.300 -0.304 0.000 1.111 54 M CA 1.005 56.262 55.300 -0.071 0.000 1.070 54 M CB -0.156 32.347 32.600 -0.161 0.000 1.525 54 M HN 0.585 nan 8.290 nan 0.000 0.517 55 H N -3.123 116.023 119.070 0.126 0.000 3.398 55 H HA 0.161 4.717 4.556 -0.000 0.000 0.260 55 H C -0.556 174.844 175.328 0.120 0.000 1.189 55 H CA -0.400 55.720 56.048 0.120 0.000 1.145 55 H CB 0.628 30.484 29.762 0.158 0.000 1.599 55 H HN 0.161 nan 8.280 nan 0.000 0.615 56 Y N 1.492 121.810 120.300 0.031 0.000 2.307 56 Y HA 0.436 4.986 4.550 -0.000 0.000 0.324 56 Y C -0.287 175.492 175.900 -0.202 0.000 1.238 56 Y CA -0.433 57.611 58.100 -0.092 0.000 1.280 56 Y CB 1.188 39.560 38.460 -0.147 0.000 1.248 56 Y HN -0.128 nan 8.280 nan 0.000 0.508 57 T N 5.385 119.402 114.554 -0.894 0.000 2.930 57 T HA 0.508 4.858 4.350 -0.000 0.000 0.313 57 T C -0.703 173.240 174.700 -1.260 0.000 1.019 57 T CA -0.452 61.142 62.100 -0.844 0.000 1.004 57 T CB 0.379 68.986 68.868 -0.435 0.000 0.987 57 T HN 0.800 nan 8.240 nan 0.000 0.456 58 A N 3.606 125.692 122.820 -1.224 0.000 2.899 58 A HA 0.479 4.799 4.320 -0.000 0.000 0.287 58 A C 0.065 177.349 177.584 -0.500 0.000 1.715 58 A CA -0.028 51.487 52.037 -0.869 0.000 1.393 58 A CB -0.602 18.081 19.000 -0.529 0.000 1.070 58 A HN 0.791 nan 8.150 nan 0.000 0.587 59 D N 0.527 120.637 120.400 -0.483 0.000 2.931 59 D HA 0.234 4.874 4.640 -0.000 0.000 0.215 59 D C 1.017 177.064 176.300 -0.422 0.000 1.297 59 D CA 0.285 54.051 54.000 -0.389 0.000 0.892 59 D CB 1.167 41.793 40.800 -0.290 0.000 1.642 59 D HN 0.245 nan 8.370 nan 0.000 0.560 60 T N -0.281 113.946 114.554 -0.546 0.000 3.288 60 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 60 T C 0.970 175.536 174.700 -0.222 0.000 1.201 60 T CA 1.138 62.870 62.100 -0.614 0.000 1.036 60 T CB -0.439 68.129 68.868 -0.500 0.000 0.891 60 T HN 0.303 nan 8.240 nan 0.000 0.571 61 S N -1.167 114.428 115.700 -0.175 0.000 2.993 61 S HA 0.474 4.944 4.470 -0.000 0.000 0.257 61 S C 0.630 175.191 174.600 -0.065 0.000 0.997 61 S CA -0.658 57.495 58.200 -0.079 0.000 1.191 61 S CB 0.025 63.175 63.200 -0.082 0.000 1.143 61 S HN 0.441 nan 8.310 nan 0.000 0.655 62 L N -0.366 120.801 121.223 -0.093 0.000 4.117 62 L HA 0.470 4.810 4.340 -0.000 0.000 0.403 62 L C 2.206 179.028 176.870 -0.081 0.000 1.051 62 L CA 0.610 55.398 54.840 -0.088 0.000 1.521 62 L CB -0.306 41.659 42.059 -0.157 0.000 1.894 62 L HN 0.249 nan 8.230 nan 0.000 0.632 63 A N 0.633 123.395 122.820 -0.096 0.000 1.851 63 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 63 A C 1.968 179.675 177.584 0.205 0.000 1.195 63 A CA 2.104 54.158 52.037 0.028 0.000 0.622 63 A CB -0.769 18.269 19.000 0.064 0.000 0.831 63 A HN 0.348 nan 8.150 nan 0.000 0.444 64 F N 1.927 121.947 119.950 0.117 0.000 2.046 64 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 64 F C 2.916 178.751 175.800 0.057 0.000 1.123 64 F CA 2.511 60.566 58.000 0.092 0.000 1.199 64 F CB -0.396 38.657 39.000 0.087 0.000 0.972 64 F HN 0.333 nan 8.300 nan 0.000 0.474 65 S N -0.404 115.438 115.700 0.237 0.000 2.419 65 S HA -0.228 4.242 4.470 -0.000 0.000 0.235 65 S C 2.140 176.770 174.600 0.050 0.000 1.019 65 S CA 1.276 59.557 58.200 0.136 0.000 0.982 65 S CB -1.292 61.984 63.200 0.126 0.000 0.789 65 S HN 0.586 nan 8.310 nan 0.000 0.490 66 S N 1.581 117.298 115.700 0.029 0.000 2.345 66 S HA 0.017 4.487 4.470 -0.000 0.000 0.219 66 S C 1.850 176.515 174.600 0.107 0.000 1.031 66 S CA 0.814 59.040 58.200 0.042 0.000 0.984 66 S CB -1.102 62.098 63.200 0.000 0.000 0.874 66 S HN 0.316 nan 8.310 nan 0.000 0.451 67 V N 2.892 122.835 119.914 0.048 0.000 2.282 67 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 67 V C 3.171 179.197 176.094 -0.114 0.000 1.057 67 V CA 1.934 64.203 62.300 -0.052 0.000 1.032 67 V CB -1.523 30.183 31.823 -0.195 0.000 0.645 67 V HN 0.688 nan 8.190 nan 0.000 0.447 68 A N -0.560 122.136 122.820 -0.207 0.000 1.865 68 A HA -0.325 3.995 4.320 -0.000 0.000 0.217 68 A C 2.260 179.836 177.584 -0.013 0.000 1.191 68 A CA 2.156 54.096 52.037 -0.161 0.000 0.623 68 A CB -1.008 17.898 19.000 -0.156 0.000 0.826 68 A HN 0.767 nan 8.150 nan 0.000 0.444 69 H N 0.409 119.449 119.070 -0.049 0.000 2.319 69 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 69 H C 1.903 177.213 175.328 -0.031 0.000 1.092 69 H CA 2.326 58.362 56.048 -0.020 0.000 1.302 69 H CB -0.691 29.071 29.762 0.000 0.000 1.373 69 H HN 0.421 nan 8.280 nan 0.000 0.497 70 T N 0.358 114.966 114.554 0.090 0.000 2.699 70 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 70 T C 2.544 177.176 174.700 -0.114 0.000 1.036 70 T CA 1.529 63.611 62.100 -0.031 0.000 1.147 70 T CB -0.802 68.098 68.868 0.054 0.000 0.862 70 T HN 0.456 nan 8.240 nan 0.000 0.446 71 C N 1.023 120.293 119.300 -0.050 0.000 2.500 71 C HA 0.089 4.549 4.460 -0.000 0.000 0.279 71 C C 2.898 177.899 174.990 0.018 0.000 1.288 71 C CA 0.242 59.275 59.018 0.025 0.000 1.710 71 C CB -0.842 26.919 27.740 0.035 0.000 2.052 71 C HN 0.534 nan 8.230 nan 0.000 0.488 72 R N 0.821 121.288 120.500 -0.055 0.000 2.161 72 R HA 0.040 4.380 4.340 -0.000 0.000 0.213 72 R C 1.571 177.794 176.300 -0.128 0.000 1.055 72 R CA 0.884 56.944 56.100 -0.066 0.000 0.996 72 R CB -0.095 30.178 30.300 -0.044 0.000 0.901 72 R HN 0.577 nan 8.270 nan 0.000 0.456 73 N N -0.278 118.253 118.700 -0.282 0.000 2.545 73 N HA 0.039 4.779 4.740 -0.000 0.000 0.190 73 N C 0.096 175.429 175.510 -0.296 0.000 1.043 73 N CA 0.320 53.171 53.050 -0.332 0.000 0.879 73 N CB 0.501 38.651 38.487 -0.563 0.000 1.210 73 N HN -0.121 nan 8.380 nan 0.000 0.437 74 V N 3.577 123.262 119.914 -0.383 0.000 2.655 74 V HA 0.033 4.153 4.120 -0.000 0.000 0.300 74 V C 0.711 176.699 176.094 -0.176 0.000 1.044 74 V CA -0.464 61.647 62.300 -0.315 0.000 1.095 74 V CB 0.438 31.949 31.823 -0.521 0.000 0.952 74 V HN 0.160 nan 8.190 nan 0.000 0.485 75 Q N 3.045 122.787 119.800 -0.096 0.000 2.283 75 Q HA -0.003 4.337 4.340 -0.000 0.000 0.301 75 Q C 0.370 176.369 176.000 -0.002 0.000 1.063 75 Q CA 0.306 56.098 55.803 -0.017 0.000 0.952 75 Q CB -0.188 28.634 28.738 0.139 0.000 1.166 75 Q HN 0.818 nan 8.270 nan 0.000 0.381 76 Y N -0.018 120.179 120.300 -0.172 0.000 4.548 76 Y HA -0.361 4.189 4.550 -0.000 0.000 0.212 76 Y C 1.630 177.189 175.900 -0.568 0.000 1.049 76 Y CA 0.921 58.735 58.100 -0.477 0.000 1.809 76 Y CB -1.963 36.271 38.460 -0.376 0.000 1.601 76 Y HN 0.856 nan 8.280 nan 0.000 0.605 77 G N 0.785 109.428 108.800 -0.262 0.000 2.491 77 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 77 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 77 G C 1.417 176.213 174.900 -0.174 0.000 1.180 77 G CA 1.381 46.362 45.100 -0.198 0.000 0.774 77 G HN 0.770 nan 8.290 nan 0.000 0.562 78 W N 0.955 122.206 121.300 -0.081 0.000 2.317 78 W HA -0.146 4.514 4.660 -0.000 0.000 0.318 78 W C 1.927 178.438 176.519 -0.013 0.000 1.227 78 W CA 1.079 58.393 57.345 -0.052 0.000 1.269 78 W CB -1.502 27.918 29.460 -0.066 0.000 1.155 78 W HN 0.218 nan 8.180 nan 0.000 0.484 79 L N 2.175 122.612 121.223 -1.310 0.000 1.971 79 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 79 L C 2.578 179.203 176.870 -0.407 0.000 1.072 79 L CA 2.099 56.234 54.840 -1.176 0.000 0.758 79 L CB -1.340 39.850 42.059 -1.447 0.000 0.889 79 L HN 0.047 nan 8.230 nan 0.000 0.433 80 I N -0.718 119.654 120.570 -0.329 0.000 2.248 80 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 80 I C 2.783 178.878 176.117 -0.037 0.000 1.107 80 I CA 1.476 62.691 61.300 -0.141 0.000 1.373 80 I CB -0.496 37.438 38.000 -0.110 0.000 1.055 80 I HN 0.390 nan 8.210 nan 0.000 0.418 81 R N 1.356 121.843 120.500 -0.021 0.000 2.061 81 R HA -0.144 4.196 4.340 -0.000 0.000 0.230 81 R C 2.026 178.411 176.300 0.141 0.000 1.140 81 R CA 1.829 57.970 56.100 0.068 0.000 0.940 81 R CB -0.357 29.982 30.300 0.065 0.000 0.839 81 R HN 0.479 nan 8.270 nan 0.000 0.429 82 N N 0.717 119.502 118.700 0.141 0.000 2.020 82 N HA -0.266 4.474 4.740 -0.000 0.000 0.200 82 N C 2.052 177.678 175.510 0.193 0.000 1.054 82 N CA 1.976 55.135 53.050 0.182 0.000 0.874 82 N CB -0.512 38.087 38.487 0.188 0.000 1.075 82 N HN 0.135 nan 8.380 nan 0.000 0.446 83 L N 0.184 121.473 121.223 0.110 0.000 2.113 83 L HA -0.319 4.021 4.340 -0.000 0.000 0.221 83 L C 2.535 179.607 176.870 0.337 0.000 1.084 83 L CA 1.658 56.590 54.840 0.153 0.000 0.787 83 L CB -0.776 41.302 42.059 0.031 0.000 0.893 83 L HN 0.382 nan 8.230 nan 0.000 0.440 84 H N -0.578 118.589 119.070 0.162 0.000 2.299 84 H HA -0.077 4.479 4.556 -0.000 0.000 0.302 84 H C 2.135 177.583 175.328 0.199 0.000 1.078 84 H CA 1.626 57.768 56.048 0.157 0.000 1.323 84 H CB -0.095 29.721 29.762 0.090 0.000 1.381 84 H HN 0.291 nan 8.280 nan 0.000 0.498 85 A N 0.147 123.105 122.820 0.230 0.000 1.940 85 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 85 A C 2.140 179.875 177.584 0.251 0.000 1.176 85 A CA 2.036 54.191 52.037 0.196 0.000 0.631 85 A CB -0.564 18.569 19.000 0.223 0.000 0.814 85 A HN 0.632 nan 8.150 nan 0.000 0.446 86 N N -0.271 118.637 118.700 0.347 0.000 2.300 86 N HA 0.043 4.783 4.740 -0.000 0.000 0.179 86 N C 1.789 177.517 175.510 0.364 0.000 1.016 86 N CA 0.970 54.303 53.050 0.472 0.000 0.876 86 N CB -0.391 38.493 38.487 0.663 0.000 0.979 86 N HN 0.433 nan 8.380 nan 0.000 0.432 87 G N 0.676 109.675 108.800 0.331 0.000 2.469 87 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 87 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 87 G C 1.582 176.537 174.900 0.090 0.000 1.136 87 G CA 1.048 46.180 45.100 0.054 0.000 0.759 87 G HN 0.401 nan 8.290 nan 0.000 0.562 88 A N 0.850 123.723 122.820 0.088 0.000 1.873 88 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 88 A C 2.739 180.453 177.584 0.215 0.000 1.193 88 A CA 2.480 54.562 52.037 0.075 0.000 0.629 88 A CB -0.873 18.163 19.000 0.059 0.000 0.826 88 A HN 0.348 nan 8.150 nan 0.000 0.447 89 S N -1.170 114.721 115.700 0.319 0.000 2.363 89 S HA -0.157 4.313 4.470 -0.000 0.000 0.218 89 S C 1.657 176.539 174.600 0.470 0.000 1.035 89 S CA 1.448 59.975 58.200 0.545 0.000 1.043 89 S CB -0.710 62.937 63.200 0.744 0.000 0.986 89 S HN 0.584 nan 8.310 nan 0.000 0.423 90 F N 1.572 121.559 119.950 0.062 0.000 2.106 90 F HA -0.285 4.242 4.527 -0.000 0.000 0.299 90 F C 1.864 177.630 175.800 -0.057 0.000 1.082 90 F CA 1.527 59.434 58.000 -0.155 0.000 1.244 90 F CB -0.573 37.931 39.000 -0.827 0.000 0.997 90 F HN 0.176 nan 8.300 nan 0.000 0.486 91 F N -0.196 119.711 119.950 -0.071 0.000 2.026 91 F HA -0.239 4.288 4.527 -0.000 0.000 0.296 91 F C 2.193 177.768 175.800 -0.375 0.000 1.133 91 F CA 2.146 59.995 58.000 -0.252 0.000 1.188 91 F CB -1.108 37.712 39.000 -0.301 0.000 0.968 91 F HN -0.036 nan 8.300 nan 0.000 0.476 92 F N 0.451 120.361 119.950 -0.068 0.000 2.095 92 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 92 F C 2.296 178.079 175.800 -0.028 0.000 1.104 92 F CA 1.793 59.627 58.000 -0.276 0.000 1.232 92 F CB -0.991 37.767 39.000 -0.403 0.000 0.987 92 F HN -0.045 nan 8.300 nan 0.000 0.475 93 I N -0.808 120.053 120.570 0.485 0.000 2.069 93 I HA -0.414 3.756 4.170 -0.000 0.000 0.237 93 I C 2.537 178.639 176.117 -0.025 0.000 1.053 93 I CA 1.558 63.073 61.300 0.357 0.000 1.311 93 I CB -1.269 36.809 38.000 0.131 0.000 1.030 93 I HN 0.189 nan 8.210 nan 0.000 0.398 94 C N 0.737 119.866 119.300 -0.285 0.000 2.391 94 C HA -0.237 4.223 4.460 -0.000 0.000 0.276 94 C C 2.832 177.628 174.990 -0.323 0.000 1.217 94 C CA 1.022 59.828 59.018 -0.353 0.000 1.766 94 C CB -1.029 26.431 27.740 -0.467 0.000 2.046 94 C HN 0.522 nan 8.230 nan 0.000 0.475 95 I N -0.270 120.060 120.570 -0.401 0.000 2.226 95 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 95 I C 2.193 178.150 176.117 -0.267 0.000 1.100 95 I CA 1.862 62.917 61.300 -0.408 0.000 1.374 95 I CB -0.218 37.405 38.000 -0.628 0.000 1.057 95 I HN 0.208 nan 8.210 nan 0.000 0.413 96 F N 0.784 120.706 119.950 -0.046 0.000 2.134 96 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 96 F C 2.251 178.001 175.800 -0.084 0.000 1.097 96 F CA 1.276 59.262 58.000 -0.024 0.000 1.264 96 F CB -0.963 38.076 39.000 0.064 0.000 1.001 96 F HN 0.010 nan 8.300 nan 0.000 0.479 97 L N -1.048 120.147 121.223 -0.048 0.000 1.976 97 L HA -0.262 4.078 4.340 -0.000 0.000 0.209 97 L C 2.518 179.326 176.870 -0.103 0.000 1.071 97 L CA 1.870 56.566 54.840 -0.239 0.000 0.746 97 L CB -1.094 40.316 42.059 -1.081 0.000 0.890 97 L HN 0.133 nan 8.230 nan 0.000 0.432 98 H N 0.528 119.459 119.070 -0.232 0.000 2.267 98 H HA -0.251 4.305 4.556 -0.000 0.000 0.291 98 H C 2.140 177.474 175.328 0.010 0.000 1.094 98 H CA 2.470 58.510 56.048 -0.013 0.000 1.227 98 H CB -0.223 29.517 29.762 -0.038 0.000 1.351 98 H HN 0.195 nan 8.280 nan 0.000 0.483 99 I N -0.432 120.169 120.570 0.052 0.000 2.127 99 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 99 I C 2.863 179.045 176.117 0.109 0.000 1.075 99 I CA 1.310 62.635 61.300 0.042 0.000 1.334 99 I CB -0.923 37.102 38.000 0.042 0.000 1.040 99 I HN 0.493 nan 8.210 nan 0.000 0.405 100 G N 1.100 109.953 108.800 0.089 0.000 2.491 100 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 100 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 100 G C 1.774 176.733 174.900 0.098 0.000 1.180 100 G CA 0.896 46.057 45.100 0.102 0.000 0.774 100 G HN 0.198 nan 8.290 nan 0.000 0.562 101 R N 1.186 121.689 120.500 0.005 0.000 2.143 101 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 101 R C 2.724 179.052 176.300 0.047 0.000 1.126 101 R CA 2.527 58.614 56.100 -0.022 0.000 0.927 101 R CB -1.542 28.720 30.300 -0.063 0.000 0.860 101 R HN 0.299 nan 8.270 nan 0.000 0.433 102 G N 1.243 110.026 108.800 -0.029 0.000 2.485 102 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.221 102 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.221 102 G C 1.492 176.433 174.900 0.068 0.000 1.115 102 G CA 0.869 45.987 45.100 0.030 0.000 0.751 102 G HN 0.380 nan 8.290 nan 0.000 0.567 103 L N -0.780 120.526 121.223 0.137 0.000 2.068 103 L HA 0.193 4.533 4.340 -0.000 0.000 0.204 103 L C 2.371 179.221 176.870 -0.034 0.000 1.076 103 L CA 1.269 56.166 54.840 0.095 0.000 0.753 103 L CB -0.855 41.258 42.059 0.089 0.000 0.910 103 L HN 0.300 nan 8.230 nan 0.000 0.439 104 Y N -1.394 118.751 120.300 -0.259 0.000 2.639 104 Y HA -0.178 4.372 4.550 -0.000 0.000 0.297 104 Y C 0.587 175.998 175.900 -0.815 0.000 1.151 104 Y CA 1.224 58.886 58.100 -0.730 0.000 1.335 104 Y CB -0.058 37.681 38.460 -1.202 0.000 0.994 104 Y HN 0.341 nan 8.280 nan 0.000 0.548 105 Y N -1.412 118.723 120.300 -0.275 0.000 2.738 105 Y HA 0.326 4.876 4.550 -0.000 0.000 0.249 105 Y C 1.435 177.070 175.900 -0.441 0.000 1.157 105 Y CA -0.267 57.666 58.100 -0.277 0.000 1.189 105 Y CB 0.705 39.154 38.460 -0.018 0.000 1.262 105 Y HN -0.006 nan 8.280 nan 0.000 0.554 106 G N 0.373 108.828 108.800 -0.574 0.000 2.321 106 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.287 106 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.287 106 G C 1.101 175.309 174.900 -1.153 0.000 1.018 106 G CA 0.921 45.214 45.100 -1.346 0.000 0.855 106 G HN 0.398 nan 8.290 nan 0.000 0.507 107 S N -0.628 114.667 115.700 -0.676 0.000 2.442 107 S HA -0.125 4.345 4.470 -0.000 0.000 0.236 107 S C 1.837 176.150 174.600 -0.479 0.000 1.007 107 S CA 1.593 59.490 58.200 -0.504 0.000 0.965 107 S CB -0.365 62.720 63.200 -0.193 0.000 0.773 107 S HN 1.026 nan 8.310 nan 0.000 0.504 108 Y N 0.621 120.613 120.300 -0.513 0.000 2.716 108 Y HA 0.220 4.770 4.550 -0.000 0.000 0.302 108 Y C 1.229 176.842 175.900 -0.478 0.000 1.160 108 Y CA -0.097 57.507 58.100 -0.827 0.000 1.362 108 Y CB -0.997 36.321 38.460 -1.904 0.000 0.988 108 Y HN 0.158 nan 8.280 nan 0.000 0.546 109 L N -0.580 120.360 121.223 -0.471 0.000 2.591 109 L HA 0.005 4.345 4.340 -0.000 0.000 0.228 109 L C 0.386 177.281 176.870 0.041 0.000 1.133 109 L CA 0.144 54.859 54.840 -0.209 0.000 0.880 109 L CB -0.240 41.647 42.059 -0.286 0.000 1.033 109 L HN 0.240 nan 8.230 nan 0.000 0.450 110 Y N 0.755 121.022 120.300 -0.055 0.000 2.881 110 Y HA 0.098 4.648 4.550 -0.000 0.000 0.369 110 Y C 1.511 177.439 175.900 0.047 0.000 1.066 110 Y CA -1.113 56.996 58.100 0.015 0.000 1.616 110 Y CB -0.981 37.508 38.460 0.049 0.000 1.436 110 Y HN 0.075 nan 8.280 nan 0.000 0.505 111 K N 0.064 120.563 120.400 0.165 0.000 2.298 111 K HA -0.402 3.918 4.320 -0.000 0.000 0.206 111 K C 1.491 178.150 176.600 0.098 0.000 0.807 111 K CA 2.759 59.109 56.287 0.105 0.000 1.023 111 K CB -0.164 32.359 32.500 0.038 0.000 1.086 111 K HN 0.391 nan 8.250 nan 0.000 0.566 112 E N -0.120 120.023 120.200 -0.096 0.000 2.013 112 E HA -0.155 4.195 4.350 -0.000 0.000 0.202 112 E C 2.120 178.610 176.600 -0.183 0.000 1.018 112 E CA 2.134 58.279 56.400 -0.426 0.000 0.834 112 E CB -0.668 28.323 29.700 -1.183 0.000 0.770 112 E HN 0.339 nan 8.360 nan 0.000 0.459 113 T N 0.707 115.248 114.554 -0.021 0.000 2.714 113 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 113 T C 1.228 176.108 174.700 0.300 0.000 1.036 113 T CA 1.528 63.704 62.100 0.127 0.000 1.148 113 T CB -0.396 68.545 68.868 0.123 0.000 0.856 113 T HN 0.365 nan 8.240 nan 0.000 0.462 114 W N 2.179 123.551 121.300 0.120 0.000 2.381 114 W HA -0.162 4.498 4.660 -0.000 0.000 0.321 114 W C 2.011 178.621 176.519 0.151 0.000 1.196 114 W CA 1.021 58.451 57.345 0.141 0.000 1.304 114 W CB -0.510 29.010 29.460 0.101 0.000 1.166 114 W HN 0.213 nan 8.180 nan 0.000 0.473 115 N N 0.385 119.235 118.700 0.250 0.000 2.091 115 N HA -0.223 4.517 4.740 -0.000 0.000 0.193 115 N C 1.733 177.340 175.510 0.162 0.000 1.021 115 N CA 3.128 56.336 53.050 0.262 0.000 0.862 115 N CB -1.289 37.345 38.487 0.244 0.000 1.018 115 N HN 0.321 nan 8.380 nan 0.000 0.429 116 T N -1.666 112.974 114.554 0.143 0.000 2.684 116 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 116 T C 2.114 176.840 174.700 0.044 0.000 1.036 116 T CA 1.537 63.742 62.100 0.175 0.000 1.148 116 T CB -1.145 67.937 68.868 0.356 0.000 0.863 116 T HN 0.242 nan 8.240 nan 0.000 0.436 117 G N 1.829 110.648 108.800 0.031 0.000 2.586 117 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 117 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 117 G C 1.677 176.369 174.900 -0.347 0.000 1.216 117 G CA 1.601 46.537 45.100 -0.273 0.000 0.786 117 G HN 0.481 nan 8.290 nan 0.000 0.583 118 V N 1.436 121.064 119.914 -0.477 0.000 2.250 118 V HA -0.317 3.803 4.120 -0.000 0.000 0.253 118 V C 2.822 178.752 176.094 -0.274 0.000 1.065 118 V CA 2.162 64.146 62.300 -0.528 0.000 1.039 118 V CB -0.617 30.697 31.823 -0.849 0.000 0.647 118 V HN 0.453 nan 8.190 nan 0.000 0.446 119 I N -0.775 119.749 120.570 -0.076 0.000 2.091 119 I HA -0.316 3.854 4.170 -0.000 0.000 0.239 119 I C 2.466 178.541 176.117 -0.070 0.000 1.061 119 I CA 1.876 63.182 61.300 0.011 0.000 1.317 119 I CB -0.485 37.563 38.000 0.081 0.000 1.031 119 I HN 0.269 nan 8.210 nan 0.000 0.401 120 L N 0.008 121.161 121.223 -0.116 0.000 2.034 120 L HA -0.298 4.042 4.340 -0.000 0.000 0.217 120 L C 2.631 179.395 176.870 -0.177 0.000 1.077 120 L CA 1.405 56.152 54.840 -0.155 0.000 0.769 120 L CB -0.648 41.266 42.059 -0.242 0.000 0.890 120 L HN 0.341 nan 8.230 nan 0.000 0.435 121 L N -0.258 120.837 121.223 -0.213 0.000 1.989 121 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 121 L C 2.369 179.163 176.870 -0.127 0.000 1.071 121 L CA 1.730 56.441 54.840 -0.216 0.000 0.749 121 L CB -0.606 41.315 42.059 -0.230 0.000 0.890 121 L HN 0.089 nan 8.230 nan 0.000 0.431 122 L N -0.717 120.453 121.223 -0.089 0.000 1.997 122 L HA -0.321 4.019 4.340 -0.000 0.000 0.216 122 L C 2.393 179.255 176.870 -0.014 0.000 1.074 122 L CA 2.241 57.069 54.840 -0.021 0.000 0.763 122 L CB -1.332 40.726 42.059 -0.001 0.000 0.890 122 L HN 0.378 nan 8.230 nan 0.000 0.434 123 T N 0.083 114.610 114.554 -0.045 0.000 2.684 123 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 123 T C 1.796 176.442 174.700 -0.090 0.000 1.036 123 T CA 1.679 63.748 62.100 -0.053 0.000 1.148 123 T CB -0.447 68.381 68.868 -0.067 0.000 0.863 123 T HN 0.198 nan 8.240 nan 0.000 0.436 124 L N 0.737 121.854 121.223 -0.177 0.000 2.012 124 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 124 L C 2.398 179.205 176.870 -0.106 0.000 1.073 124 L CA 1.815 56.464 54.840 -0.319 0.000 0.748 124 L CB -0.646 41.083 42.059 -0.550 0.000 0.891 124 L HN 0.244 nan 8.230 nan 0.000 0.431 125 M N -0.802 118.835 119.600 0.062 0.000 2.065 125 M HA -0.259 4.221 4.480 -0.000 0.000 0.259 125 M C 2.358 178.880 176.300 0.371 0.000 1.071 125 M CA 2.170 57.722 55.300 0.421 0.000 1.109 125 M CB -0.728 32.106 32.600 0.390 0.000 1.313 125 M HN 0.514 nan 8.290 nan 0.000 0.408 126 A N -0.054 122.868 122.820 0.169 0.000 1.892 126 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 126 A C 2.156 179.860 177.584 0.200 0.000 1.188 126 A CA 2.523 54.647 52.037 0.145 0.000 0.631 126 A CB -1.376 17.660 19.000 0.060 0.000 0.822 126 A HN 0.517 nan 8.150 nan 0.000 0.447 127 T N 0.369 114.991 114.554 0.114 0.000 2.624 127 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 127 T C 2.202 177.057 174.700 0.259 0.000 1.041 127 T CA 2.312 64.481 62.100 0.114 0.000 1.159 127 T CB -0.674 68.154 68.868 -0.066 0.000 0.863 127 T HN 0.688 nan 8.240 nan 0.000 0.434 128 A N 1.261 124.231 122.820 0.251 0.000 1.865 128 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 128 A C 2.010 179.797 177.584 0.339 0.000 1.191 128 A CA 1.903 54.114 52.037 0.291 0.000 0.623 128 A CB -1.247 17.933 19.000 0.300 0.000 0.826 128 A HN 0.467 nan 8.150 nan 0.000 0.444 129 F N 1.219 121.355 119.950 0.310 0.000 2.106 129 F HA -0.311 4.216 4.527 -0.000 0.000 0.299 129 F C 2.279 178.188 175.800 0.182 0.000 1.082 129 F CA 2.531 60.661 58.000 0.218 0.000 1.244 129 F CB -0.432 38.596 39.000 0.046 0.000 0.997 129 F HN 0.160 nan 8.300 nan 0.000 0.486 130 V N -1.614 118.281 119.914 -0.033 0.000 2.346 130 V HA 0.098 4.218 4.120 -0.000 0.000 0.244 130 V C 2.542 178.577 176.094 -0.099 0.000 1.037 130 V CA 1.549 63.772 62.300 -0.128 0.000 1.029 130 V CB -1.875 29.851 31.823 -0.162 0.000 0.663 130 V HN 0.336 nan 8.190 nan 0.000 0.454 131 G N -1.313 107.275 108.800 -0.354 0.000 2.485 131 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.221 131 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.221 131 G C 1.474 176.245 174.900 -0.215 0.000 1.115 131 G CA 1.300 45.906 45.100 -0.823 0.000 0.751 131 G HN 0.607 nan 8.290 nan 0.000 0.567 132 Y N 0.935 121.140 120.300 -0.158 0.000 2.263 132 Y HA -0.042 4.508 4.550 -0.000 0.000 0.292 132 Y C 2.870 178.737 175.900 -0.055 0.000 1.130 132 Y CA 0.961 59.012 58.100 -0.081 0.000 1.179 132 Y CB -0.132 38.296 38.460 -0.053 0.000 0.998 132 Y HN 0.058 nan 8.280 nan 0.000 0.532 133 V N 0.303 120.210 119.914 -0.011 0.000 2.490 133 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 133 V C 2.413 178.605 176.094 0.162 0.000 1.061 133 V CA 1.674 64.002 62.300 0.047 0.000 1.064 133 V CB -0.933 30.974 31.823 0.139 0.000 0.670 133 V HN 0.397 nan 8.190 nan 0.000 0.461 134 L N 0.805 122.088 121.223 0.100 0.000 2.011 134 L HA -0.200 4.140 4.340 -0.000 0.000 0.225 134 L C 0.212 177.161 176.870 0.130 0.000 1.084 134 L CA 2.257 57.161 54.840 0.108 0.000 0.791 134 L CB -2.368 39.599 42.059 -0.152 0.000 0.898 134 L HN 0.383 nan 8.230 nan 0.000 0.440 135 P HA -0.258 nan 4.420 nan 0.000 0.231 135 P C 0.392 177.842 177.300 0.250 0.000 1.158 135 P CA 0.686 63.789 63.100 0.006 0.000 0.763 135 P CB -0.310 31.288 31.700 -0.170 0.000 0.805 136 W N 0.646 121.948 121.300 0.004 0.000 7.223 136 W HA -0.159 4.501 4.660 -0.000 0.000 0.419 136 W C -0.212 176.385 176.519 0.131 0.000 1.661 136 W CA 0.471 57.851 57.345 0.059 0.000 1.173 136 W CB -1.243 28.267 29.460 0.083 0.000 2.887 136 W HN 0.000 nan 8.180 nan 0.000 1.606 137 G N 0.914 109.737 108.800 0.038 0.000 2.613 137 G HA2 0.233 4.193 3.960 -0.000 0.000 0.303 137 G HA3 0.233 4.193 3.960 -0.000 0.000 0.303 137 G C 0.489 175.330 174.900 -0.097 0.000 1.312 137 G CA -0.129 44.998 45.100 0.045 0.000 1.036 137 G HN 0.193 nan 8.290 nan 0.000 0.513 138 Q N -1.030 118.764 119.800 -0.011 0.000 2.014 138 Q HA -0.163 4.177 4.340 -0.000 0.000 0.207 138 Q C 2.561 178.701 176.000 0.234 0.000 0.993 138 Q CA 1.534 57.411 55.803 0.124 0.000 0.850 138 Q CB -0.414 28.408 28.738 0.140 0.000 0.916 138 Q HN 0.504 nan 8.270 nan 0.000 0.417 139 M N 0.356 120.053 119.600 0.162 0.000 2.108 139 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 139 M C 2.146 178.545 176.300 0.165 0.000 1.066 139 M CA 1.341 56.770 55.300 0.214 0.000 1.107 139 M CB -0.538 32.226 32.600 0.273 0.000 1.356 139 M HN 0.034 nan 8.290 nan 0.000 0.406 140 S N -0.070 115.595 115.700 -0.058 0.000 2.377 140 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 140 S C 1.699 176.151 174.600 -0.248 0.000 1.042 140 S CA 1.871 59.950 58.200 -0.202 0.000 1.086 140 S CB -0.824 62.229 63.200 -0.245 0.000 0.995 140 S HN 0.595 nan 8.310 nan 0.000 0.428 141 F N 0.794 120.385 119.950 -0.600 0.000 2.025 141 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 141 F C 1.957 177.362 175.800 -0.658 0.000 1.132 141 F CA 1.715 59.149 58.000 -0.943 0.000 1.191 141 F CB -0.667 37.559 39.000 -1.291 0.000 0.963 141 F HN 0.267 nan 8.300 nan 0.000 0.481 142 W N 0.461 121.661 121.300 -0.167 0.000 2.363 142 W HA -0.012 4.648 4.660 -0.000 0.000 0.296 142 W C 2.696 179.119 176.519 -0.160 0.000 1.212 142 W CA 1.261 58.521 57.345 -0.142 0.000 1.260 142 W CB -1.282 28.190 29.460 0.020 0.000 1.131 142 W HN 0.171 nan 8.180 nan 0.000 0.530 143 G N 0.463 109.309 108.800 0.076 0.000 2.440 143 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 143 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 143 G C 1.666 176.607 174.900 0.067 0.000 1.154 143 G CA 1.687 46.833 45.100 0.075 0.000 0.767 143 G HN 0.323 nan 8.290 nan 0.000 0.552 144 A N 0.942 123.695 122.820 -0.111 0.000 1.842 144 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 144 A C 2.662 180.222 177.584 -0.041 0.000 1.206 144 A CA 3.357 55.343 52.037 -0.085 0.000 0.630 144 A CB -1.472 17.288 19.000 -0.400 0.000 0.839 144 A HN 0.467 nan 8.150 nan 0.000 0.447 145 T N -0.540 113.800 114.554 -0.358 0.000 2.624 145 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 145 T C 1.767 176.491 174.700 0.041 0.000 1.041 145 T CA 1.984 63.942 62.100 -0.236 0.000 1.159 145 T CB -1.204 67.385 68.868 -0.465 0.000 0.863 145 T HN 0.151 nan 8.240 nan 0.000 0.434 146 V N 1.778 121.739 119.914 0.078 0.000 2.233 146 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 146 V C 2.696 178.813 176.094 0.038 0.000 1.050 146 V CA 1.512 63.876 62.300 0.105 0.000 1.010 146 V CB -0.776 31.118 31.823 0.117 0.000 0.637 146 V HN 0.381 nan 8.190 nan 0.000 0.444 147 I N 1.241 121.814 120.570 0.006 0.000 2.072 147 I HA -0.236 3.934 4.170 -0.000 0.000 0.235 147 I C 2.977 178.928 176.117 -0.277 0.000 1.058 147 I CA 2.573 63.780 61.300 -0.154 0.000 1.320 147 I CB -1.956 35.899 38.000 -0.242 0.000 1.047 147 I HN 0.588 nan 8.210 nan 0.000 0.397 148 T N -1.001 113.477 114.554 -0.126 0.000 2.751 148 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 148 T C 1.615 176.179 174.700 -0.226 0.000 1.045 148 T CA 2.218 64.183 62.100 -0.225 0.000 1.142 148 T CB -1.178 67.909 68.868 0.366 0.000 0.851 148 T HN 0.349 nan 8.240 nan 0.000 0.474 149 N N 0.148 118.863 118.700 0.025 0.000 2.520 149 N HA 0.151 4.891 4.740 -0.000 0.000 0.185 149 N C 1.610 177.098 175.510 -0.037 0.000 1.068 149 N CA 0.208 53.305 53.050 0.078 0.000 0.911 149 N CB -0.302 38.295 38.487 0.183 0.000 0.961 149 N HN 0.421 nan 8.380 nan 0.000 0.446 150 L N -0.508 120.628 121.223 -0.144 0.000 2.072 150 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 150 L C 1.532 178.421 176.870 0.032 0.000 1.079 150 L CA 0.961 55.754 54.840 -0.079 0.000 0.752 150 L CB -0.484 41.500 42.059 -0.124 0.000 0.906 150 L HN 0.256 nan 8.230 nan 0.000 0.436 151 F N 0.362 120.269 119.950 -0.073 0.000 2.225 151 F HA -0.315 4.212 4.527 -0.000 0.000 0.302 151 F C 2.696 178.423 175.800 -0.123 0.000 1.068 151 F CA 0.844 58.787 58.000 -0.095 0.000 1.327 151 F CB -0.531 38.401 39.000 -0.113 0.000 1.043 151 F HN 0.281 nan 8.300 nan 0.000 0.506 152 S N 0.061 115.772 115.700 0.017 0.000 2.595 152 S HA 0.022 4.492 4.470 -0.000 0.000 0.235 152 S C 1.651 176.184 174.600 -0.111 0.000 0.974 152 S CA 0.460 58.568 58.200 -0.152 0.000 0.942 152 S CB -0.235 62.794 63.200 -0.286 0.000 0.766 152 S HN 0.298 nan 8.310 nan 0.000 0.536 153 A N 1.289 124.096 122.820 -0.021 0.000 2.081 153 A HA 0.403 4.723 4.320 -0.000 0.000 0.214 153 A C 0.895 178.470 177.584 -0.015 0.000 1.158 153 A CA -0.106 51.925 52.037 -0.010 0.000 0.724 153 A CB -0.444 18.561 19.000 0.009 0.000 0.826 153 A HN 0.606 nan 8.150 nan 0.000 0.463 154 I N 1.931 122.494 120.570 -0.013 0.000 2.494 154 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 154 I C -2.336 173.744 176.117 -0.061 0.000 1.106 154 I CA -1.707 59.566 61.300 -0.045 0.000 1.369 154 I CB 0.530 38.503 38.000 -0.046 0.000 1.410 154 I HN 0.033 nan 8.210 nan 0.000 0.523 155 P HA -0.032 nan 4.420 nan 0.000 0.265 155 P C -0.112 177.103 177.300 -0.142 0.000 1.187 155 P CA 0.570 63.552 63.100 -0.195 0.000 0.766 155 P CB 0.235 31.654 31.700 -0.469 0.000 0.820 156 Y N 0.016 120.349 120.300 0.056 0.000 2.783 156 Y HA -0.387 4.163 4.550 -0.000 0.000 0.474 156 Y C 1.833 177.761 175.900 0.047 0.000 1.145 156 Y CA 0.719 58.847 58.100 0.047 0.000 2.768 156 Y CB -1.859 36.612 38.460 0.018 0.000 1.125 156 Y HN 0.352 nan 8.280 nan 0.000 0.605 157 I N 1.087 121.774 120.570 0.196 0.000 3.083 157 I HA 0.087 4.257 4.170 -0.000 0.000 0.273 157 I C 1.889 178.035 176.117 0.049 0.000 1.297 157 I CA 1.425 62.774 61.300 0.082 0.000 1.452 157 I CB -0.682 37.328 38.000 0.017 0.000 1.078 157 I HN 0.413 nan 8.210 nan 0.000 0.484 158 G N 1.403 110.238 108.800 0.058 0.000 2.604 158 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 158 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 158 G C 1.452 176.350 174.900 -0.004 0.000 1.265 158 G CA 1.084 46.187 45.100 0.005 0.000 0.804 158 G HN 0.476 nan 8.290 nan 0.000 0.579 159 H N 0.489 119.589 119.070 0.049 0.000 2.289 159 H HA -0.119 4.437 4.556 -0.000 0.000 0.294 159 H C 2.958 178.300 175.328 0.022 0.000 1.095 159 H CA 2.016 58.088 56.048 0.041 0.000 1.256 159 H CB -0.714 29.093 29.762 0.075 0.000 1.359 159 H HN 0.290 nan 8.280 nan 0.000 0.487 160 T N 2.061 116.716 114.554 0.168 0.000 2.595 160 T HA -0.169 4.181 4.350 -0.000 0.000 0.264 160 T C 2.237 176.987 174.700 0.083 0.000 1.058 160 T CA 1.379 63.539 62.100 0.100 0.000 1.166 160 T CB -0.723 68.180 68.868 0.057 0.000 0.863 160 T HN 0.153 nan 8.240 nan 0.000 0.415 161 L N 1.563 122.817 121.223 0.053 0.000 2.081 161 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 161 L C 2.327 179.262 176.870 0.107 0.000 1.080 161 L CA 1.556 56.449 54.840 0.089 0.000 0.754 161 L CB -0.899 41.149 42.059 -0.017 0.000 0.893 161 L HN 0.119 nan 8.230 nan 0.000 0.433 162 V N -0.064 119.821 119.914 -0.049 0.000 2.244 162 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 162 V C 2.487 178.273 176.094 -0.513 0.000 1.042 162 V CA 2.084 64.161 62.300 -0.372 0.000 1.006 162 V CB -0.739 30.728 31.823 -0.594 0.000 0.641 162 V HN 0.496 nan 8.190 nan 0.000 0.446 163 E N -1.249 118.813 120.200 -0.229 0.000 2.333 163 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 163 E C 1.846 178.487 176.600 0.069 0.000 1.007 163 E CA 1.356 57.741 56.400 -0.025 0.000 0.845 163 E CB -0.151 29.583 29.700 0.057 0.000 0.766 163 E HN 0.791 nan 8.360 nan 0.000 0.507 164 W N 1.219 122.470 121.300 -0.081 0.000 2.480 164 W HA 0.052 4.712 4.660 -0.000 0.000 0.299 164 W C 2.353 178.885 176.519 0.022 0.000 1.187 164 W CA 1.374 58.704 57.345 -0.025 0.000 1.347 164 W CB -0.523 28.922 29.460 -0.026 0.000 1.121 164 W HN -0.037 nan 8.180 nan 0.000 0.533 165 A N -0.238 122.535 122.820 -0.078 0.000 1.978 165 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 165 A C 1.736 179.346 177.584 0.043 0.000 1.170 165 A CA 1.702 53.657 52.037 -0.137 0.000 0.636 165 A CB -1.404 17.618 19.000 0.036 0.000 0.810 165 A HN 0.509 nan 8.150 nan 0.000 0.448 166 W N -1.626 119.664 121.300 -0.017 0.000 2.576 166 W HA 0.295 4.955 4.660 -0.000 0.000 0.270 166 W C 1.804 178.260 176.519 -0.104 0.000 1.255 166 W CA 0.687 58.001 57.345 -0.051 0.000 1.314 166 W CB -1.067 28.376 29.460 -0.029 0.000 1.101 166 W HN 0.635 nan 8.180 nan 0.000 0.595 167 G N 0.010 108.863 108.800 0.089 0.000 2.159 167 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.256 167 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.256 167 G C 0.515 175.399 174.900 -0.026 0.000 0.977 167 G CA 0.569 45.661 45.100 -0.013 0.000 0.652 167 G HN 0.645 nan 8.290 nan 0.000 0.531 168 G N -1.640 107.160 108.800 0.000 0.000 2.726 168 G HA2 0.595 4.555 3.960 -0.000 0.000 0.198 168 G HA3 0.595 4.555 3.960 -0.000 0.000 0.198 168 G C 0.020 174.764 174.900 -0.260 0.000 1.195 168 G CA 0.253 45.230 45.100 -0.204 0.000 0.951 168 G HN 0.385 nan 8.290 nan 0.000 0.532 169 F N 1.341 121.451 119.950 0.268 0.000 2.706 169 F HA 0.508 5.035 4.527 -0.000 0.000 0.308 169 F C 1.117 177.042 175.800 0.208 0.000 1.095 169 F CA 0.266 58.471 58.000 0.342 0.000 1.244 169 F CB 1.088 40.206 39.000 0.196 0.000 1.063 169 F HN 0.524 nan 8.300 nan 0.000 0.582 170 S N -1.345 114.323 115.700 -0.054 0.000 2.611 170 S HA 0.505 4.975 4.470 -0.000 0.000 0.268 170 S C -1.019 173.024 174.600 -0.928 0.000 1.156 170 S CA -0.956 56.747 58.200 -0.828 0.000 0.817 170 S CB 1.093 64.111 63.200 -0.302 0.000 1.122 170 S HN -0.232 nan 8.310 nan 0.000 0.466 171 V N 2.676 121.871 119.914 -1.199 0.000 2.434 171 V HA 0.312 4.432 4.120 -0.000 0.000 0.281 171 V C 0.184 176.212 176.094 -0.110 0.000 1.005 171 V CA 0.965 62.818 62.300 -0.746 0.000 1.089 171 V CB -0.082 31.227 31.823 -0.857 0.000 0.978 171 V HN 0.878 nan 8.190 nan 0.000 0.474 172 D N 3.159 123.527 120.400 -0.053 0.000 2.812 172 D HA 0.176 4.816 4.640 -0.000 0.000 0.318 172 D C 0.954 177.163 176.300 -0.152 0.000 1.234 172 D CA -0.705 53.321 54.000 0.043 0.000 0.989 172 D CB 1.569 42.377 40.800 0.013 0.000 1.442 172 D HN 0.287 nan 8.370 nan 0.000 0.537 173 N N 0.668 119.237 118.700 -0.218 0.000 2.064 173 N HA -0.143 4.597 4.740 -0.000 0.000 0.200 173 N C -1.192 174.192 175.510 -0.209 0.000 1.028 173 N CA 2.950 55.819 53.050 -0.301 0.000 0.880 173 N CB -0.792 37.566 38.487 -0.216 0.000 1.062 173 N HN 0.281 nan 8.380 nan 0.000 0.454 174 P HA -0.190 nan 4.420 nan 0.000 0.218 174 P C 0.789 178.049 177.300 -0.066 0.000 1.150 174 P CA 1.708 64.766 63.100 -0.070 0.000 0.841 174 P CB -0.167 31.511 31.700 -0.036 0.000 0.784 175 T N 0.271 114.754 114.554 -0.118 0.000 2.755 175 T HA -0.051 4.299 4.350 -0.000 0.000 0.251 175 T C 1.814 176.374 174.700 -0.234 0.000 1.044 175 T CA 0.650 62.646 62.100 -0.173 0.000 1.154 175 T CB -1.076 67.616 68.868 -0.293 0.000 0.866 175 T HN -0.015 nan 8.240 nan 0.000 0.416 176 L N 2.185 123.205 121.223 -0.339 0.000 2.017 176 L HA -0.287 4.053 4.340 -0.000 0.000 0.234 176 L C 2.673 179.542 176.870 -0.001 0.000 1.097 176 L CA 3.024 57.693 54.840 -0.284 0.000 0.816 176 L CB -1.760 39.933 42.059 -0.609 0.000 0.914 176 L HN 0.565 nan 8.230 nan 0.000 0.444 177 T N -0.977 113.551 114.554 -0.043 0.000 2.653 177 T HA -0.346 4.004 4.350 -0.000 0.000 0.268 177 T C 1.861 176.685 174.700 0.206 0.000 1.035 177 T CA 2.099 64.247 62.100 0.081 0.000 1.154 177 T CB -0.934 67.935 68.868 0.001 0.000 0.862 177 T HN 0.713 nan 8.240 nan 0.000 0.441 178 R N -0.267 120.335 120.500 0.169 0.000 2.148 178 R HA 0.061 4.401 4.340 -0.000 0.000 0.227 178 R C 2.044 178.559 176.300 0.359 0.000 1.103 178 R CA 1.036 57.263 56.100 0.212 0.000 0.983 178 R CB -0.735 29.655 30.300 0.152 0.000 0.874 178 R HN 0.347 nan 8.270 nan 0.000 0.451 179 F N 1.061 121.085 119.950 0.124 0.000 2.128 179 F HA 0.007 4.534 4.527 -0.000 0.000 0.295 179 F C 2.147 178.082 175.800 0.224 0.000 1.100 179 F CA 0.214 58.304 58.000 0.150 0.000 1.260 179 F CB -0.909 38.166 39.000 0.126 0.000 1.009 179 F HN -0.089 nan 8.300 nan 0.000 0.476 180 F N 0.635 120.790 119.950 0.342 0.000 2.065 180 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 180 F C 2.381 178.372 175.800 0.319 0.000 1.112 180 F CA 1.828 60.027 58.000 0.331 0.000 1.212 180 F CB -0.463 38.740 39.000 0.337 0.000 0.975 180 F HN -0.058 nan 8.300 nan 0.000 0.476 181 A N 0.658 123.549 122.820 0.118 0.000 1.892 181 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 181 A C 2.221 179.811 177.584 0.009 0.000 1.188 181 A CA 2.041 54.067 52.037 -0.018 0.000 0.631 181 A CB -1.349 17.687 19.000 0.060 0.000 0.822 181 A HN 0.553 nan 8.150 nan 0.000 0.447 182 L N -1.774 119.488 121.223 0.065 0.000 2.042 182 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 182 L C 2.609 179.503 176.870 0.041 0.000 1.076 182 L CA 1.983 56.846 54.840 0.038 0.000 0.749 182 L CB -0.361 41.692 42.059 -0.009 0.000 0.893 182 L HN 0.664 nan 8.230 nan 0.000 0.432 183 H N -1.589 117.456 119.070 -0.041 0.000 2.457 183 H HA -0.206 4.350 4.556 -0.000 0.000 0.294 183 H C 1.828 177.074 175.328 -0.135 0.000 1.064 183 H CA 1.499 57.506 56.048 -0.068 0.000 1.330 183 H CB -0.033 29.730 29.762 0.002 0.000 1.395 183 H HN 0.358 nan 8.280 nan 0.000 0.541 184 F N -0.889 118.866 119.950 -0.324 0.000 2.206 184 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 184 F C 1.990 177.672 175.800 -0.195 0.000 1.090 184 F CA 0.422 58.214 58.000 -0.346 0.000 1.323 184 F CB 0.076 38.839 39.000 -0.393 0.000 1.028 184 F HN 0.261 nan 8.300 nan 0.000 0.492 185 L N 0.483 121.815 121.223 0.183 0.000 1.982 185 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 185 L C 2.088 179.000 176.870 0.071 0.000 1.078 185 L CA 1.683 56.648 54.840 0.209 0.000 0.749 185 L CB -1.217 40.915 42.059 0.121 0.000 0.894 185 L HN 0.127 nan 8.230 nan 0.000 0.436 186 L N -0.109 121.097 121.223 -0.028 0.000 2.113 186 L HA -0.285 4.055 4.340 -0.000 0.000 0.221 186 L C 0.011 176.788 176.870 -0.155 0.000 1.084 186 L CA 2.094 56.890 54.840 -0.074 0.000 0.787 186 L CB -2.393 39.617 42.059 -0.082 0.000 0.893 186 L HN 0.305 nan 8.230 nan 0.000 0.440 187 P HA -0.198 nan 4.420 nan 0.000 0.216 187 P C 1.619 178.744 177.300 -0.292 0.000 1.153 187 P CA 1.616 64.470 63.100 -0.409 0.000 0.858 187 P CB -0.055 31.252 31.700 -0.654 0.000 0.789 188 F N -0.237 119.675 119.950 -0.063 0.000 2.134 188 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 188 F C 2.487 178.272 175.800 -0.025 0.000 1.097 188 F CA 0.919 58.903 58.000 -0.027 0.000 1.264 188 F CB -1.130 37.873 39.000 0.005 0.000 1.001 188 F HN -0.121 nan 8.300 nan 0.000 0.479 189 A N 0.512 123.416 122.820 0.140 0.000 1.948 189 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 189 A C 2.179 179.782 177.584 0.032 0.000 1.177 189 A CA 1.641 53.722 52.037 0.074 0.000 0.636 189 A CB -1.060 17.967 19.000 0.044 0.000 0.815 189 A HN 0.437 nan 8.150 nan 0.000 0.449 190 I N -0.544 120.019 120.570 -0.012 0.000 2.133 190 I HA -0.277 3.893 4.170 -0.000 0.000 0.238 190 I C 3.036 179.153 176.117 -0.000 0.000 1.074 190 I CA 1.054 62.332 61.300 -0.037 0.000 1.342 190 I CB -0.466 37.476 38.000 -0.097 0.000 1.053 190 I HN 0.367 nan 8.210 nan 0.000 0.404 191 A N 1.009 123.843 122.820 0.023 0.000 1.927 191 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 191 A C 2.359 179.973 177.584 0.050 0.000 1.185 191 A CA 2.235 54.302 52.037 0.051 0.000 0.639 191 A CB -1.593 17.468 19.000 0.102 0.000 0.820 191 A HN 0.514 nan 8.150 nan 0.000 0.451 192 G N 0.198 109.035 108.800 0.061 0.000 2.552 192 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 192 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 192 G C 1.511 176.432 174.900 0.035 0.000 1.240 192 G CA 1.250 46.377 45.100 0.046 0.000 0.796 192 G HN 0.508 nan 8.290 nan 0.000 0.568 193 I N 0.741 121.334 120.570 0.038 0.000 2.194 193 I HA -0.225 3.945 4.170 -0.000 0.000 0.246 193 I C 2.932 179.089 176.117 0.066 0.000 1.093 193 I CA 1.641 62.973 61.300 0.052 0.000 1.355 193 I CB -0.935 37.088 38.000 0.038 0.000 1.046 193 I HN 0.116 nan 8.210 nan 0.000 0.413 194 T N 1.357 115.931 114.554 0.034 0.000 2.802 194 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 194 T C 1.914 176.659 174.700 0.075 0.000 1.062 194 T CA 1.153 63.283 62.100 0.049 0.000 1.133 194 T CB -0.140 68.736 68.868 0.014 0.000 0.852 194 T HN 0.186 nan 8.240 nan 0.000 0.485 195 I N 1.095 121.685 120.570 0.033 0.000 2.163 195 I HA -0.096 4.074 4.170 -0.000 0.000 0.240 195 I C 2.261 178.355 176.117 -0.038 0.000 1.081 195 I CA 1.121 62.413 61.300 -0.013 0.000 1.353 195 I CB -0.939 37.046 38.000 -0.025 0.000 1.054 195 I HN 0.226 nan 8.210 nan 0.000 0.407 196 I N 0.241 120.808 120.570 -0.006 0.000 2.208 196 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 196 I C 2.599 178.761 176.117 0.076 0.000 1.097 196 I CA 1.576 62.849 61.300 -0.044 0.000 1.363 196 I CB -2.084 35.949 38.000 0.056 0.000 1.051 196 I HN 0.302 nan 8.210 nan 0.000 0.413 197 H N 1.855 120.977 119.070 0.086 0.000 2.251 197 H HA -0.139 4.417 4.556 -0.000 0.000 0.294 197 H C 2.225 177.597 175.328 0.074 0.000 1.078 197 H CA 1.911 58.048 56.048 0.149 0.000 1.246 197 H CB -0.387 29.428 29.762 0.089 0.000 1.358 197 H HN 0.179 nan 8.280 nan 0.000 0.488 198 L N -0.405 120.816 121.223 -0.003 0.000 2.261 198 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 198 L C 2.335 178.930 176.870 -0.459 0.000 1.114 198 L CA 1.588 56.288 54.840 -0.233 0.000 0.777 198 L CB -0.616 41.302 42.059 -0.235 0.000 0.910 198 L HN 0.436 nan 8.230 nan 0.000 0.440 199 T N -0.382 113.978 114.554 -0.324 0.000 2.698 199 T HA -0.109 4.241 4.350 -0.000 0.000 0.260 199 T C 1.571 176.133 174.700 -0.229 0.000 1.044 199 T CA 1.116 63.001 62.100 -0.358 0.000 1.149 199 T CB -0.248 68.386 68.868 -0.390 0.000 0.864 199 T HN 0.088 nan 8.240 nan 0.000 0.419 200 F N 1.046 120.929 119.950 -0.111 0.000 2.236 200 F HA -0.022 4.505 4.527 -0.000 0.000 0.302 200 F C 1.978 177.696 175.800 -0.135 0.000 1.073 200 F CA 0.327 58.274 58.000 -0.088 0.000 1.336 200 F CB -0.743 38.231 39.000 -0.044 0.000 1.040 200 F HN 0.087 nan 8.300 nan 0.000 0.507 201 L N -0.121 121.111 121.223 0.015 0.000 1.973 201 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 201 L C 2.229 179.129 176.870 0.051 0.000 1.073 201 L CA 1.906 56.734 54.840 -0.019 0.000 0.746 201 L CB -0.960 41.110 42.059 0.019 0.000 0.891 201 L HN 0.183 nan 8.230 nan 0.000 0.433 202 H N -0.752 118.280 119.070 -0.064 0.000 2.566 202 H HA -0.080 4.476 4.556 -0.000 0.000 0.285 202 H C 1.082 176.372 175.328 -0.064 0.000 1.041 202 H CA 0.240 56.254 56.048 -0.057 0.000 1.207 202 H CB 0.198 29.929 29.762 -0.051 0.000 1.353 202 H HN 0.472 nan 8.280 nan 0.000 0.604 203 E N 0.142 120.363 120.200 0.036 0.000 2.442 203 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 203 E C 1.748 178.316 176.600 -0.055 0.000 1.030 203 E CA 0.635 57.034 56.400 -0.000 0.000 0.869 203 E CB 0.596 30.312 29.700 0.027 0.000 0.857 203 E HN 0.535 nan 8.360 nan 0.000 0.505 204 S N -1.726 113.892 115.700 -0.136 0.000 2.648 204 S HA 0.394 4.864 4.470 -0.000 0.000 0.270 204 S C 0.939 175.474 174.600 -0.109 0.000 1.082 204 S CA 0.244 58.327 58.200 -0.195 0.000 1.116 204 S CB 1.360 64.246 63.200 -0.524 0.000 1.040 204 S HN 0.261 nan 8.310 nan 0.000 0.572 205 G N 1.269 110.022 108.800 -0.078 0.000 2.746 205 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.685 205 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.685 205 G C -0.514 174.474 174.900 0.147 0.000 1.350 205 G CA -0.517 44.598 45.100 0.025 0.000 0.837 205 G HN 0.733 nan 8.290 nan 0.000 0.564 206 S N -0.085 115.723 115.700 0.180 0.000 2.572 206 S HA 0.306 4.776 4.470 -0.000 0.000 0.279 206 S C 0.885 175.662 174.600 0.294 0.000 1.341 206 S CA 0.022 58.405 58.200 0.304 0.000 1.043 206 S CB 0.902 64.206 63.200 0.173 0.000 0.887 206 S HN 0.798 nan 8.310 nan 0.000 0.516 207 N N 1.347 120.286 118.700 0.397 0.000 2.530 207 N HA 0.165 4.905 4.740 -0.000 0.000 0.277 207 N C -0.569 174.971 175.510 0.048 0.000 1.168 207 N CA -0.520 52.637 53.050 0.178 0.000 0.979 207 N CB 0.405 38.901 38.487 0.015 0.000 1.141 207 N HN 0.726 nan 8.380 nan 0.000 0.459 208 N N 2.460 121.096 118.700 -0.107 0.000 2.319 208 N HA 0.413 5.153 4.740 -0.000 0.000 0.305 208 N C -2.150 173.229 175.510 -0.217 0.000 1.103 208 N CA -1.672 51.149 53.050 -0.383 0.000 0.815 208 N CB 1.805 40.122 38.487 -0.285 0.000 1.288 208 N HN 0.273 nan 8.380 nan 0.000 0.493 209 P HA -0.252 nan 4.420 nan 0.000 0.219 209 P C 1.038 178.412 177.300 0.123 0.000 1.151 209 P CA 1.459 64.611 63.100 0.087 0.000 0.850 209 P CB 0.263 31.994 31.700 0.051 0.000 0.784 210 L N -2.284 118.921 121.223 -0.030 0.000 2.240 210 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 210 L C 1.608 178.434 176.870 -0.074 0.000 1.106 210 L CA 0.989 55.773 54.840 -0.095 0.000 0.793 210 L CB -1.120 40.950 42.059 0.018 0.000 0.927 210 L HN 0.127 nan 8.230 nan 0.000 0.446 211 G N 1.758 110.544 108.800 -0.025 0.000 2.212 211 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.255 211 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.255 211 G C -0.004 174.900 174.900 0.007 0.000 1.062 211 G CA 0.458 45.544 45.100 -0.023 0.000 0.815 211 G HN 0.473 nan 8.290 nan 0.000 0.497 212 I N -3.455 117.126 120.570 0.019 0.000 2.802 212 I HA 0.768 4.938 4.170 -0.000 0.000 0.298 212 I C 0.432 176.563 176.117 0.024 0.000 1.176 212 I CA -0.845 60.475 61.300 0.035 0.000 1.025 212 I CB 1.861 39.901 38.000 0.067 0.000 1.243 212 I HN 0.344 nan 8.210 nan 0.000 0.424 213 S N 3.067 118.783 115.700 0.027 0.000 3.545 213 S HA -0.067 4.403 4.470 -0.000 0.000 0.421 213 S C 0.979 175.590 174.600 0.019 0.000 1.160 213 S CA 0.629 58.845 58.200 0.026 0.000 1.002 213 S CB 0.021 63.236 63.200 0.026 0.000 0.703 213 S HN 0.741 nan 8.310 nan 0.000 0.505 214 S N 3.824 119.534 115.700 0.015 0.000 2.501 214 S HA 0.007 4.477 4.470 -0.000 0.000 0.220 214 S C 1.211 175.817 174.600 0.011 0.000 0.997 214 S CA 0.263 58.464 58.200 0.002 0.000 0.919 214 S CB -0.177 63.016 63.200 -0.011 0.000 0.778 214 S HN 0.817 nan 8.310 nan 0.000 0.523 215 D N 2.738 123.149 120.400 0.019 0.000 2.220 215 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 215 D C 2.042 178.352 176.300 0.017 0.000 1.001 215 D CA 1.709 55.721 54.000 0.020 0.000 0.875 215 D CB -0.555 40.258 40.800 0.022 0.000 0.921 215 D HN 0.563 nan 8.370 nan 0.000 0.454 216 S N -0.932 114.776 115.700 0.014 0.000 2.500 216 S HA -0.120 4.350 4.470 -0.000 0.000 0.239 216 S C 0.504 175.110 174.600 0.009 0.000 0.989 216 S CA 0.762 58.969 58.200 0.012 0.000 0.951 216 S CB 0.246 63.453 63.200 0.012 0.000 0.759 216 S HN 0.160 nan 8.310 nan 0.000 0.523 217 D N 0.144 120.549 120.400 0.008 0.000 2.492 217 D HA 0.268 4.908 4.640 -0.000 0.000 0.229 217 D C -1.367 174.937 176.300 0.007 0.000 1.345 217 D CA -0.200 53.803 54.000 0.004 0.000 0.912 217 D CB 0.350 41.144 40.800 -0.009 0.000 1.526 217 D HN 0.139 nan 8.370 nan 0.000 0.505 218 K N 2.286 122.702 120.400 0.027 0.000 2.203 218 K HA 0.707 5.027 4.320 -0.000 0.000 0.251 218 K C 0.144 176.796 176.600 0.085 0.000 0.944 218 K CA -1.023 55.293 56.287 0.049 0.000 0.829 218 K CB 2.212 34.742 32.500 0.050 0.000 1.125 218 K HN 0.419 nan 8.250 nan 0.000 0.430 219 I N -1.116 119.538 120.570 0.141 0.000 2.797 219 I HA 0.551 4.721 4.170 -0.000 0.000 0.307 219 I C -2.528 173.769 176.117 0.300 0.000 1.033 219 I CA -3.063 58.380 61.300 0.239 0.000 1.071 219 I CB 1.969 40.108 38.000 0.231 0.000 1.255 219 I HN 0.351 nan 8.210 nan 0.000 0.445 220 P HA 0.043 nan 4.420 nan 0.000 0.276 220 P C 0.482 177.968 177.300 0.309 0.000 1.253 220 P CA -0.013 63.226 63.100 0.232 0.000 0.766 220 P CB 0.803 32.572 31.700 0.115 0.000 0.845 221 F N 3.681 123.779 119.950 0.246 0.000 2.135 221 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 221 F C 1.011 176.980 175.800 0.282 0.000 1.074 221 F CA 1.780 59.976 58.000 0.326 0.000 1.262 221 F CB -0.340 38.790 39.000 0.216 0.000 1.013 221 F HN 0.442 nan 8.300 nan 0.000 0.489 222 H N 0.485 119.691 119.070 0.226 0.000 2.466 222 H HA 0.307 4.863 4.556 -0.000 0.000 0.338 222 H C -1.908 173.351 175.328 -0.115 0.000 1.091 222 H CA -2.431 53.669 56.048 0.088 0.000 1.207 222 H CB 1.676 31.558 29.762 0.199 0.000 1.466 222 H HN -0.180 nan 8.280 nan 0.000 0.493 223 P HA -0.047 nan 4.420 nan 0.000 0.251 223 P C 0.681 177.809 177.300 -0.287 0.000 1.223 223 P CA 0.500 63.173 63.100 -0.712 0.000 0.796 223 P CB 0.319 31.587 31.700 -0.720 0.000 1.068 224 Y N 0.223 120.318 120.300 -0.342 0.000 1.977 224 Y HA -0.283 4.267 4.550 -0.000 0.000 0.264 224 Y C 2.420 177.938 175.900 -0.637 0.000 1.167 224 Y CA 1.534 59.325 58.100 -0.516 0.000 1.102 224 Y CB -1.304 36.777 38.460 -0.631 0.000 0.948 224 Y HN -0.086 nan 8.280 nan 0.000 0.489 225 Y N -0.563 119.577 120.300 -0.268 0.000 2.475 225 Y HA -0.146 4.404 4.550 -0.000 0.000 0.289 225 Y C 2.669 178.153 175.900 -0.693 0.000 1.121 225 Y CA 0.536 58.318 58.100 -0.531 0.000 1.257 225 Y CB -0.221 37.828 38.460 -0.685 0.000 1.026 225 Y HN 0.165 nan 8.280 nan 0.000 0.555 226 S N -0.286 115.037 115.700 -0.628 0.000 2.355 226 S HA -0.205 4.265 4.470 -0.000 0.000 0.222 226 S C 1.797 176.373 174.600 -0.040 0.000 1.031 226 S CA 0.996 59.117 58.200 -0.132 0.000 0.993 226 S CB -1.100 62.264 63.200 0.272 0.000 0.859 226 S HN 0.334 nan 8.310 nan 0.000 0.453 227 F N 2.309 122.189 119.950 -0.117 0.000 2.075 227 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 227 F C 2.739 178.498 175.800 -0.068 0.000 1.113 227 F CA 1.725 59.678 58.000 -0.079 0.000 1.218 227 F CB -0.320 38.610 39.000 -0.118 0.000 0.984 227 F HN 0.148 nan 8.300 nan 0.000 0.472 228 K N 0.366 120.821 120.400 0.091 0.000 2.020 228 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 228 K C 1.749 178.372 176.600 0.038 0.000 1.050 228 K CA 2.186 58.497 56.287 0.040 0.000 0.929 228 K CB -0.329 32.181 32.500 0.016 0.000 0.714 228 K HN 0.123 nan 8.250 nan 0.000 0.443 229 D N 0.690 121.119 120.400 0.047 0.000 2.106 229 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 229 D C 1.906 178.226 176.300 0.034 0.000 0.997 229 D CA 1.432 55.469 54.000 0.061 0.000 0.834 229 D CB -0.238 40.646 40.800 0.140 0.000 0.956 229 D HN 0.315 nan 8.370 nan 0.000 0.448 230 I N 0.220 120.795 120.570 0.009 0.000 2.286 230 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 230 I C 2.343 178.463 176.117 0.005 0.000 1.115 230 I CA 0.387 61.681 61.300 -0.010 0.000 1.392 230 I CB -0.170 37.782 38.000 -0.081 0.000 1.065 230 I HN 0.043 nan 8.210 nan 0.000 0.418 231 L N 1.422 122.652 121.223 0.013 0.000 1.976 231 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 231 L C 2.449 179.328 176.870 0.016 0.000 1.071 231 L CA 2.399 57.253 54.840 0.023 0.000 0.746 231 L CB -1.424 40.654 42.059 0.031 0.000 0.890 231 L HN 0.187 nan 8.230 nan 0.000 0.432 232 G N -0.134 108.662 108.800 -0.006 0.000 2.505 232 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.220 232 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.220 232 G C 1.627 176.537 174.900 0.017 0.000 1.145 232 G CA 1.318 46.394 45.100 -0.041 0.000 0.761 232 G HN 0.481 nan 8.290 nan 0.000 0.571 233 L N 1.512 122.762 121.223 0.046 0.000 1.971 233 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 233 L C 3.221 180.164 176.870 0.122 0.000 1.072 233 L CA 3.325 58.229 54.840 0.106 0.000 0.758 233 L CB -1.266 40.839 42.059 0.077 0.000 0.889 233 L HN 0.395 nan 8.230 nan 0.000 0.433 234 T N -2.264 112.335 114.554 0.075 0.000 2.759 234 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 234 T C 1.944 176.700 174.700 0.093 0.000 1.042 234 T CA 1.713 63.855 62.100 0.071 0.000 1.140 234 T CB -1.001 67.894 68.868 0.045 0.000 0.864 234 T HN 0.426 nan 8.240 nan 0.000 0.455 235 L N -0.714 120.561 121.223 0.087 0.000 2.549 235 L HA 0.084 4.424 4.340 -0.000 0.000 0.229 235 L C 2.412 179.372 176.870 0.151 0.000 1.158 235 L CA 0.436 55.331 54.840 0.092 0.000 0.842 235 L CB -0.607 41.483 42.059 0.052 0.000 0.952 235 L HN 0.301 nan 8.230 nan 0.000 0.452 236 M N -1.670 118.064 119.600 0.222 0.000 3.058 236 M HA 0.047 4.527 4.480 -0.000 0.000 0.242 236 M C 1.990 178.543 176.300 0.422 0.000 1.512 236 M CA 0.610 56.144 55.300 0.390 0.000 1.274 236 M CB -0.890 32.037 32.600 0.545 0.000 1.179 236 M HN 0.055 nan 8.290 nan 0.000 0.573 237 L N 1.229 122.628 121.223 0.293 0.000 2.171 237 L HA -0.254 4.086 4.340 -0.000 0.000 0.216 237 L C 2.272 179.218 176.870 0.126 0.000 1.084 237 L CA 1.910 56.819 54.840 0.116 0.000 0.771 237 L CB -1.027 41.055 42.059 0.038 0.000 0.890 237 L HN 0.377 nan 8.230 nan 0.000 0.437 238 T N -0.361 114.278 114.554 0.141 0.000 2.595 238 T HA -0.148 4.202 4.350 -0.000 0.000 0.264 238 T C -0.264 174.532 174.700 0.160 0.000 1.058 238 T CA 2.138 64.310 62.100 0.119 0.000 1.166 238 T CB -1.032 67.904 68.868 0.113 0.000 0.863 238 T HN 0.257 nan 8.240 nan 0.000 0.415 239 P HA -0.051 nan 4.420 nan 0.000 0.215 239 P C 1.360 178.841 177.300 0.301 0.000 1.153 239 P CA 0.902 64.143 63.100 0.235 0.000 0.853 239 P CB -0.213 31.628 31.700 0.235 0.000 0.788 240 F N 0.169 120.219 119.950 0.168 0.000 2.063 240 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 240 F C 1.806 177.644 175.800 0.064 0.000 1.109 240 F CA 1.319 59.395 58.000 0.126 0.000 1.212 240 F CB -0.446 38.490 39.000 -0.106 0.000 0.973 240 F HN -0.219 nan 8.300 nan 0.000 0.480 241 L N -0.399 120.721 121.223 -0.171 0.000 2.072 241 L HA -0.178 4.162 4.340 -0.000 0.000 0.205 241 L C 2.448 179.281 176.870 -0.062 0.000 1.079 241 L CA 1.612 56.277 54.840 -0.291 0.000 0.752 241 L CB -1.295 40.617 42.059 -0.246 0.000 0.906 241 L HN 0.180 nan 8.230 nan 0.000 0.436 242 T N 1.076 115.685 114.554 0.091 0.000 2.699 242 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 242 T C 1.765 176.635 174.700 0.283 0.000 1.036 242 T CA 2.120 64.371 62.100 0.252 0.000 1.147 242 T CB -0.225 68.792 68.868 0.248 0.000 0.862 242 T HN 0.300 nan 8.240 nan 0.000 0.446 243 L N 0.813 122.167 121.223 0.218 0.000 2.095 243 L HA 0.423 4.763 4.340 -0.000 0.000 0.204 243 L C 2.341 179.319 176.870 0.180 0.000 1.080 243 L CA 1.761 56.733 54.840 0.221 0.000 0.759 243 L CB -1.037 41.163 42.059 0.236 0.000 0.914 243 L HN 0.068 nan 8.230 nan 0.000 0.439 244 A N -0.789 122.109 122.820 0.130 0.000 2.239 244 A HA 0.149 4.469 4.320 -0.000 0.000 0.209 244 A C 2.055 179.651 177.584 0.019 0.000 1.171 244 A CA 1.169 53.257 52.037 0.086 0.000 0.768 244 A CB -0.583 18.421 19.000 0.007 0.000 0.790 244 A HN 0.528 nan 8.150 nan 0.000 0.478 245 L N -3.197 117.985 121.223 -0.068 0.000 2.878 245 L HA 0.307 4.647 4.340 -0.000 0.000 0.253 245 L C 1.081 177.708 176.870 -0.404 0.000 1.135 245 L CA 0.532 55.224 54.840 -0.245 0.000 0.943 245 L CB 0.265 42.062 42.059 -0.438 0.000 1.307 245 L HN 0.505 nan 8.230 nan 0.000 0.545 246 F N -2.059 117.931 119.950 0.067 0.000 2.778 246 F HA 0.166 4.693 4.527 -0.000 0.000 0.314 246 F C 1.564 177.394 175.800 0.051 0.000 1.073 246 F CA 0.076 58.105 58.000 0.049 0.000 1.218 246 F CB 0.913 39.939 39.000 0.043 0.000 1.037 246 F HN -0.176 nan 8.300 nan 0.000 0.594 247 S N -0.323 115.513 115.700 0.227 0.000 2.901 247 S HA 0.286 4.756 4.470 -0.000 0.000 0.248 247 S C -1.949 172.743 174.600 0.154 0.000 1.021 247 S CA -1.144 57.157 58.200 0.168 0.000 1.090 247 S CB -0.403 62.893 63.200 0.160 0.000 1.039 247 S HN -0.161 nan 8.310 nan 0.000 0.514 248 P HA -0.241 nan 4.420 nan 0.000 0.223 248 P C 0.680 178.095 177.300 0.192 0.000 1.073 248 P CA 1.783 64.986 63.100 0.171 0.000 1.008 248 P CB -0.038 31.757 31.700 0.158 0.000 0.760 249 N N -1.315 117.485 118.700 0.167 0.000 2.370 249 N HA -0.002 4.738 4.740 -0.000 0.000 0.198 249 N C 1.487 177.086 175.510 0.148 0.000 1.156 249 N CA -0.049 53.105 53.050 0.173 0.000 0.839 249 N CB -0.381 38.181 38.487 0.125 0.000 0.989 249 N HN 0.105 nan 8.380 nan 0.000 0.468 250 L N 1.105 122.414 121.223 0.143 0.000 2.021 250 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 250 L C 1.848 178.803 176.870 0.143 0.000 1.074 250 L CA 1.685 56.601 54.840 0.126 0.000 0.760 250 L CB -0.516 41.619 42.059 0.126 0.000 0.889 250 L HN 0.105 nan 8.230 nan 0.000 0.433 251 L N -0.761 120.574 121.223 0.186 0.000 2.049 251 L HA 0.085 4.425 4.340 -0.000 0.000 0.203 251 L C 1.496 178.492 176.870 0.211 0.000 1.074 251 L CA 0.552 55.525 54.840 0.222 0.000 0.749 251 L CB -1.357 40.888 42.059 0.310 0.000 0.907 251 L HN 0.388 nan 8.230 nan 0.000 0.439 252 G N 0.819 109.755 108.800 0.226 0.000 2.343 252 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.254 252 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.254 252 G C -0.488 174.545 174.900 0.221 0.000 1.277 252 G CA -0.311 44.932 45.100 0.239 0.000 0.909 252 G HN 0.100 nan 8.290 nan 0.000 0.502 253 D N 2.689 123.218 120.400 0.215 0.000 2.400 253 D HA 0.043 4.683 4.640 -0.000 0.000 0.238 253 D C -0.746 175.689 176.300 0.226 0.000 1.157 253 D CA -1.416 52.700 54.000 0.193 0.000 0.889 253 D CB 1.783 42.683 40.800 0.166 0.000 1.199 253 D HN 0.198 nan 8.370 nan 0.000 0.436 254 P HA -0.040 nan 4.420 nan 0.000 0.221 254 P C 0.646 178.087 177.300 0.236 0.000 1.155 254 P CA 0.547 63.741 63.100 0.156 0.000 0.812 254 P CB 0.280 31.994 31.700 0.024 0.000 0.801 255 E N 0.343 120.628 120.200 0.142 0.000 2.394 255 E HA -0.186 4.164 4.350 -0.000 0.000 0.202 255 E C 0.882 177.580 176.600 0.164 0.000 1.029 255 E CA 0.772 57.234 56.400 0.104 0.000 0.855 255 E CB -0.960 28.739 29.700 -0.002 0.000 0.770 255 E HN 0.286 nan 8.360 nan 0.000 0.527 256 N N -0.604 118.245 118.700 0.248 0.000 2.276 256 N HA 0.062 4.802 4.740 -0.000 0.000 0.212 256 N C -0.326 175.351 175.510 0.279 0.000 1.127 256 N CA -0.028 53.146 53.050 0.206 0.000 0.834 256 N CB -0.021 38.544 38.487 0.130 0.000 1.014 256 N HN -0.000 nan 8.380 nan 0.000 0.491 257 F N -0.988 119.068 119.950 0.177 0.000 2.654 257 F HA 0.336 4.863 4.527 -0.000 0.000 0.303 257 F C 0.320 176.220 175.800 0.166 0.000 1.099 257 F CA -0.046 58.110 58.000 0.260 0.000 1.270 257 F CB 0.820 39.921 39.000 0.169 0.000 1.024 257 F HN -0.256 nan 8.300 nan 0.000 0.548 258 T N 2.174 116.824 114.554 0.160 0.000 2.864 258 T HA 0.295 4.645 4.350 -0.000 0.000 0.310 258 T C -2.603 171.935 174.700 -0.270 0.000 1.040 258 T CA -1.753 60.308 62.100 -0.065 0.000 0.977 258 T CB 1.425 70.293 68.868 0.000 0.000 0.976 258 T HN -0.299 nan 8.240 nan 0.000 0.459 259 P HA 0.058 nan 4.420 nan 0.000 0.259 259 P C -0.259 176.844 177.300 -0.329 0.000 1.163 259 P CA -0.018 62.662 63.100 -0.701 0.000 0.760 259 P CB 0.237 31.504 31.700 -0.722 0.000 0.762 260 A N 3.874 126.509 122.820 -0.307 0.000 2.609 260 A HA 0.034 4.354 4.320 -0.000 0.000 0.232 260 A C 0.579 177.927 177.584 -0.393 0.000 1.041 260 A CA 0.697 52.476 52.037 -0.430 0.000 0.753 260 A CB -0.598 17.840 19.000 -0.937 0.000 0.966 260 A HN 0.661 nan 8.150 nan 0.000 0.510 261 N N 1.692 120.158 118.700 -0.391 0.000 2.594 261 N HA 0.425 5.165 4.740 -0.000 0.000 0.280 261 N C -2.513 172.793 175.510 -0.341 0.000 1.156 261 N CA -1.479 51.391 53.050 -0.300 0.000 0.831 261 N CB 1.703 40.119 38.487 -0.118 0.000 1.379 261 N HN 0.108 nan 8.380 nan 0.000 0.536 262 P HA -0.071 nan 4.420 nan 0.000 0.223 262 P C 0.863 178.166 177.300 0.005 0.000 1.144 262 P CA 0.917 63.632 63.100 -0.642 0.000 0.783 262 P CB 0.306 31.637 31.700 -0.615 0.000 0.771 263 L N -2.314 118.913 121.223 0.007 0.000 2.162 263 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 263 L C 0.838 177.772 176.870 0.106 0.000 1.086 263 L CA 0.603 55.480 54.840 0.063 0.000 0.778 263 L CB -0.295 41.763 42.059 -0.001 0.000 0.928 263 L HN -0.216 nan 8.230 nan 0.000 0.446 264 V N -0.375 119.607 119.914 0.113 0.000 2.513 264 V HA 0.284 4.403 4.120 -0.000 0.000 0.299 264 V C -0.093 175.951 176.094 -0.084 0.000 1.035 264 V CA -0.486 61.824 62.300 0.016 0.000 0.889 264 V CB 1.801 33.612 31.823 -0.019 0.000 0.988 264 V HN 0.038 nan 8.190 nan 0.000 0.440 265 T N 6.649 120.971 114.554 -0.387 0.000 2.829 265 T HA 0.454 4.804 4.350 -0.000 0.000 0.282 265 T C -2.450 171.911 174.700 -0.566 0.000 0.990 265 T CA -0.961 60.576 62.100 -0.938 0.000 1.028 265 T CB 1.622 69.909 68.868 -0.968 0.000 0.951 265 T HN 0.450 nan 8.240 nan 0.000 0.460 266 P HA 0.180 nan 4.420 nan 0.000 0.269 266 P C -1.795 175.366 177.300 -0.231 0.000 1.215 266 P CA -1.211 61.702 63.100 -0.313 0.000 0.780 266 P CB 0.141 31.673 31.700 -0.279 0.000 0.898 267 P HA -0.175 nan 4.420 nan 0.000 0.214 267 P C 0.039 177.393 177.300 0.091 0.000 1.169 267 P CA 1.802 64.923 63.100 0.034 0.000 0.908 267 P CB -0.232 31.576 31.700 0.180 0.000 0.791 268 H N -2.174 116.874 119.070 -0.036 0.000 2.589 268 H HA 0.487 5.043 4.556 -0.000 0.000 0.351 268 H C -0.825 174.513 175.328 0.016 0.000 1.074 268 H CA -1.211 54.836 56.048 -0.003 0.000 1.203 268 H CB 0.926 30.701 29.762 0.021 0.000 1.558 268 H HN -0.032 nan 8.280 nan 0.000 0.522 269 I N 4.405 125.007 120.570 0.053 0.000 2.328 269 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 269 I C -0.444 175.746 176.117 0.121 0.000 1.012 269 I CA -0.383 60.935 61.300 0.030 0.000 1.195 269 I CB 0.822 38.863 38.000 0.068 0.000 1.350 269 I HN 0.548 nan 8.210 nan 0.000 0.464 270 K N 7.489 127.912 120.400 0.039 0.000 2.525 270 K HA 0.634 4.954 4.320 -0.000 0.000 0.254 270 K C -3.078 173.441 176.600 -0.136 0.000 0.934 270 K CA -1.546 54.751 56.287 0.018 0.000 0.802 270 K CB 2.449 35.076 32.500 0.211 0.000 1.295 270 K HN 0.097 nan 8.250 nan 0.000 0.433 271 P HA 0.036 nan 4.420 nan 0.000 0.288 271 P C -0.702 176.382 177.300 -0.359 0.000 1.291 271 P CA -0.221 62.666 63.100 -0.357 0.000 0.766 271 P CB 0.430 31.925 31.700 -0.342 0.000 1.242 272 E N -0.230 119.591 120.200 -0.632 0.000 2.349 272 E HA -0.002 4.348 4.350 -0.000 0.000 0.265 272 E C 1.668 177.785 176.600 -0.804 0.000 1.064 272 E CA -0.266 55.653 56.400 -0.803 0.000 0.886 272 E CB 0.164 29.010 29.700 -1.423 0.000 1.036 272 E HN 0.636 nan 8.360 nan 0.000 0.413 273 W N 3.930 124.961 121.300 -0.448 0.000 2.275 273 W HA -0.356 4.304 4.660 -0.000 0.000 0.321 273 W C 1.365 177.754 176.519 -0.217 0.000 1.269 273 W CA 1.744 58.946 57.345 -0.239 0.000 1.274 273 W CB -1.370 28.034 29.460 -0.095 0.000 1.141 273 W HN 0.656 nan 8.180 nan 0.000 0.493 274 Y N -2.142 117.508 120.300 -1.083 0.000 2.651 274 Y HA 0.093 4.643 4.550 -0.000 0.000 0.296 274 Y C 1.707 177.344 175.900 -0.439 0.000 1.150 274 Y CA 0.673 58.163 58.100 -1.016 0.000 1.348 274 Y CB -1.881 35.359 38.460 -2.034 0.000 0.983 274 Y HN -0.017 nan 8.280 nan 0.000 0.555 275 F N -1.078 118.694 119.950 -0.297 0.000 2.746 275 F HA 0.197 4.724 4.527 -0.000 0.000 0.313 275 F C 1.817 177.459 175.800 -0.264 0.000 1.095 275 F CA -0.376 57.486 58.000 -0.230 0.000 1.224 275 F CB 0.299 39.108 39.000 -0.318 0.000 1.060 275 F HN -0.004 nan 8.300 nan 0.000 0.584 276 L N 0.415 121.661 121.223 0.038 0.000 1.978 276 L HA -0.306 4.034 4.340 -0.000 0.000 0.218 276 L C 2.656 179.542 176.870 0.027 0.000 1.075 276 L CA 2.147 57.033 54.840 0.078 0.000 0.767 276 L CB -1.059 41.076 42.059 0.127 0.000 0.890 276 L HN 0.302 nan 8.230 nan 0.000 0.434 277 F N 0.596 120.578 119.950 0.052 0.000 2.115 277 F HA -0.280 4.247 4.527 -0.000 0.000 0.300 277 F C 2.356 178.151 175.800 -0.009 0.000 1.092 277 F CA 1.237 59.231 58.000 -0.009 0.000 1.245 277 F CB -1.074 37.888 39.000 -0.064 0.000 0.995 277 F HN -0.017 nan 8.300 nan 0.000 0.481 278 A N -0.155 121.773 122.820 -1.487 0.000 1.872 278 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 278 A C 2.179 179.560 177.584 -0.338 0.000 1.187 278 A CA 1.303 52.709 52.037 -1.052 0.000 0.614 278 A CB -1.687 16.669 19.000 -1.073 0.000 0.826 278 A HN 0.584 nan 8.150 nan 0.000 0.442 279 Y N 0.929 121.007 120.300 -0.370 0.000 2.081 279 Y HA -0.237 4.313 4.550 -0.000 0.000 0.280 279 Y C 2.774 178.567 175.900 -0.179 0.000 1.163 279 Y CA 1.061 59.026 58.100 -0.225 0.000 1.135 279 Y CB -1.012 37.349 38.460 -0.165 0.000 0.970 279 Y HN 0.323 nan 8.280 nan 0.000 0.498 280 A N 0.094 122.827 122.820 -0.145 0.000 1.948 280 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 280 A C 2.416 179.905 177.584 -0.160 0.000 1.177 280 A CA 2.131 54.045 52.037 -0.204 0.000 0.636 280 A CB -1.146 17.774 19.000 -0.132 0.000 0.815 280 A HN 0.548 nan 8.150 nan 0.000 0.449 281 I N -1.025 119.477 120.570 -0.114 0.000 2.353 281 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 281 I C 2.381 178.449 176.117 -0.081 0.000 1.119 281 I CA 0.802 62.065 61.300 -0.063 0.000 1.417 281 I CB -0.274 37.731 38.000 0.008 0.000 1.078 281 I HN 0.396 nan 8.210 nan 0.000 0.421 282 L N 1.495 122.659 121.223 -0.098 0.000 1.989 282 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 282 L C 2.488 179.292 176.870 -0.109 0.000 1.071 282 L CA 1.932 56.724 54.840 -0.080 0.000 0.749 282 L CB -0.603 41.431 42.059 -0.041 0.000 0.890 282 L HN 0.092 nan 8.230 nan 0.000 0.431 283 R N -0.527 119.860 120.500 -0.189 0.000 2.316 283 R HA -0.024 4.316 4.340 -0.000 0.000 0.202 283 R C 2.327 178.542 176.300 -0.142 0.000 1.029 283 R CA 0.875 56.857 56.100 -0.197 0.000 1.018 283 R CB -0.467 29.631 30.300 -0.336 0.000 0.888 283 R HN 0.680 nan 8.270 nan 0.000 0.471 284 S N 0.982 116.608 115.700 -0.124 0.000 2.368 284 S HA -0.059 4.410 4.470 -0.000 0.000 0.224 284 S C 1.088 175.645 174.600 -0.072 0.000 1.029 284 S CA 0.537 58.683 58.200 -0.090 0.000 0.988 284 S CB -0.143 63.011 63.200 -0.076 0.000 0.838 284 S HN 0.147 nan 8.310 nan 0.000 0.462 285 I N 4.260 124.786 120.570 -0.074 0.000 2.337 285 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 285 I C -2.324 173.764 176.117 -0.048 0.000 1.046 285 I CA -2.189 59.075 61.300 -0.060 0.000 1.324 285 I CB 1.188 39.151 38.000 -0.063 0.000 1.409 285 I HN 0.157 nan 8.210 nan 0.000 0.494 286 P HA 0.178 nan 4.420 nan 0.000 0.262 286 P C -0.777 176.511 177.300 -0.019 0.000 1.620 286 P CA -0.134 62.950 63.100 -0.027 0.000 1.089 286 P CB 0.446 32.133 31.700 -0.022 0.000 1.601 287 N N 3.669 122.359 118.700 -0.017 0.000 4.650 287 N HA -0.051 4.689 4.740 -0.000 0.000 0.147 287 N C 0.791 176.296 175.510 -0.008 0.000 1.331 287 N CA -0.134 52.910 53.050 -0.009 0.000 0.997 287 N CB 0.240 38.721 38.487 -0.011 0.000 1.701 287 N HN 0.028 nan 8.380 nan 0.000 0.857 288 K N 0.582 120.981 120.400 -0.001 0.000 2.128 288 K HA -0.270 4.050 4.320 -0.000 0.000 0.220 288 K C 1.729 178.330 176.600 0.001 0.000 1.049 288 K CA 2.319 58.607 56.287 0.002 0.000 0.948 288 K CB -0.059 32.447 32.500 0.010 0.000 0.742 288 K HN 0.404 nan 8.250 nan 0.000 0.465 289 L N 0.525 121.748 121.223 0.001 0.000 1.989 289 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 289 L C 2.247 179.115 176.870 -0.002 0.000 1.071 289 L CA 2.412 57.252 54.840 0.000 0.000 0.749 289 L CB -1.097 40.958 42.059 -0.008 0.000 0.890 289 L HN 0.288 nan 8.230 nan 0.000 0.431 290 G N -1.179 107.615 108.800 -0.011 0.000 2.459 290 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 290 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 290 G C 1.543 176.431 174.900 -0.021 0.000 1.183 290 G CA 0.630 45.719 45.100 -0.019 0.000 0.776 290 G HN 0.615 nan 8.290 nan 0.000 0.552 291 G N 0.148 108.933 108.800 -0.024 0.000 2.475 291 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.220 291 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.220 291 G C 1.766 176.659 174.900 -0.011 0.000 1.125 291 G CA 1.199 46.281 45.100 -0.029 0.000 0.755 291 G HN 0.350 nan 8.290 nan 0.000 0.565 292 V N 0.892 120.807 119.914 0.002 0.000 2.237 292 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 292 V C 2.945 179.061 176.094 0.038 0.000 1.046 292 V CA 1.681 63.994 62.300 0.021 0.000 1.007 292 V CB -0.479 31.369 31.823 0.043 0.000 0.638 292 V HN 0.380 nan 8.190 nan 0.000 0.445 293 L N 0.086 121.331 121.223 0.035 0.000 1.990 293 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 293 L C 2.791 179.713 176.870 0.085 0.000 1.072 293 L CA 1.960 56.833 54.840 0.054 0.000 0.755 293 L CB -1.111 40.970 42.059 0.035 0.000 0.889 293 L HN 0.391 nan 8.230 nan 0.000 0.432 294 A N 0.117 122.965 122.820 0.047 0.000 1.903 294 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 294 A C 2.254 179.946 177.584 0.180 0.000 1.191 294 A CA 2.258 54.337 52.037 0.069 0.000 0.638 294 A CB -0.877 18.093 19.000 -0.051 0.000 0.823 294 A HN 0.370 nan 8.150 nan 0.000 0.451 295 L N -0.374 120.900 121.223 0.084 0.000 1.970 295 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 295 L C 2.727 179.660 176.870 0.105 0.000 1.071 295 L CA 2.499 57.373 54.840 0.055 0.000 0.751 295 L CB -0.948 41.098 42.059 -0.021 0.000 0.889 295 L HN 0.413 nan 8.230 nan 0.000 0.432 296 A N -0.113 122.765 122.820 0.098 0.000 1.848 296 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 296 A C 2.464 180.147 177.584 0.164 0.000 1.220 296 A CA 2.914 55.019 52.037 0.112 0.000 0.645 296 A CB -1.707 17.354 19.000 0.103 0.000 0.842 296 A HN 0.687 nan 8.150 nan 0.000 0.451 297 A N -0.166 122.784 122.820 0.216 0.000 1.986 297 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 297 A C 2.461 180.205 177.584 0.267 0.000 1.171 297 A CA 2.795 54.995 52.037 0.272 0.000 0.640 297 A CB -1.231 18.002 19.000 0.389 0.000 0.811 297 A HN 1.392 nan 8.150 nan 0.000 0.451 298 S N -1.229 114.695 115.700 0.373 0.000 2.420 298 S HA -0.114 4.355 4.470 -0.000 0.000 0.237 298 S C 1.596 176.337 174.600 0.235 0.000 1.023 298 S CA 1.792 60.186 58.200 0.323 0.000 0.991 298 S CB -0.387 63.012 63.200 0.331 0.000 0.792 298 S HN 0.336 nan 8.310 nan 0.000 0.488 299 V N 0.266 120.298 119.914 0.197 0.000 3.151 299 V HA 0.322 4.442 4.120 -0.000 0.000 0.241 299 V C 2.183 178.292 176.094 0.025 0.000 1.173 299 V CA 0.372 62.762 62.300 0.150 0.000 1.154 299 V CB -0.127 31.805 31.823 0.181 0.000 0.898 299 V HN 0.432 nan 8.190 nan 0.000 0.473 300 L N -0.218 121.042 121.223 0.061 0.000 2.127 300 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 300 L C 2.428 179.330 176.870 0.053 0.000 1.089 300 L CA 1.574 56.451 54.840 0.062 0.000 0.757 300 L CB -0.572 41.596 42.059 0.181 0.000 0.899 300 L HN 0.374 nan 8.230 nan 0.000 0.434 301 I N 0.362 120.964 120.570 0.054 0.000 2.182 301 I HA -0.380 3.790 4.170 -0.000 0.000 0.248 301 I C 2.314 178.439 176.117 0.013 0.000 1.073 301 I CA 1.682 62.993 61.300 0.019 0.000 1.335 301 I CB -0.257 37.669 38.000 -0.124 0.000 1.031 301 I HN 0.128 nan 8.210 nan 0.000 0.420 302 L N -0.674 120.521 121.223 -0.046 0.000 2.082 302 L HA -0.356 3.984 4.340 -0.000 0.000 0.223 302 L C 2.584 179.549 176.870 0.159 0.000 1.086 302 L CA 2.296 57.133 54.840 -0.005 0.000 0.793 302 L CB -1.036 40.895 42.059 -0.213 0.000 0.896 302 L HN 0.273 nan 8.230 nan 0.000 0.441 303 F N -0.504 119.534 119.950 0.147 0.000 2.192 303 F HA -0.288 4.239 4.527 -0.000 0.000 0.301 303 F C 2.379 178.219 175.800 0.068 0.000 1.079 303 F CA 0.788 58.876 58.000 0.147 0.000 1.303 303 F CB -0.210 38.854 39.000 0.107 0.000 1.024 303 F HN 0.079 nan 8.300 nan 0.000 0.494 304 L N -0.727 120.634 121.223 0.230 0.000 2.109 304 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 304 L C 2.376 179.202 176.870 -0.074 0.000 1.086 304 L CA 0.250 55.175 54.840 0.142 0.000 0.760 304 L CB -0.562 41.578 42.059 0.136 0.000 0.910 304 L HN 0.080 nan 8.230 nan 0.000 0.437 305 I N 0.410 120.875 120.570 -0.175 0.000 2.267 305 I HA -0.314 3.856 4.170 -0.000 0.000 0.239 305 I C -0.003 175.707 176.117 -0.678 0.000 0.984 305 I CA 2.424 63.427 61.300 -0.496 0.000 1.272 305 I CB -2.604 34.989 38.000 -0.678 0.000 0.976 305 I HN 0.189 nan 8.210 nan 0.000 0.407 306 P HA -0.168 nan 4.420 nan 0.000 0.215 306 P C 1.686 178.832 177.300 -0.256 0.000 1.157 306 P CA 1.470 64.277 63.100 -0.489 0.000 0.874 306 P CB -0.219 31.098 31.700 -0.638 0.000 0.790 307 F N -1.649 118.277 119.950 -0.040 0.000 2.805 307 F HA 0.062 4.589 4.527 -0.000 0.000 0.301 307 F C 1.331 177.120 175.800 -0.019 0.000 1.196 307 F CA 0.625 58.618 58.000 -0.012 0.000 1.439 307 F CB -1.130 37.873 39.000 0.004 0.000 1.117 307 F HN -0.102 nan 8.300 nan 0.000 0.581 308 L N -0.679 120.575 121.223 0.050 0.000 3.209 308 L HA 0.230 4.570 4.340 -0.000 0.000 0.279 308 L C -0.244 176.636 176.870 0.017 0.000 1.301 308 L CA -0.068 54.781 54.840 0.014 0.000 1.004 308 L CB -0.001 42.021 42.059 -0.061 0.000 1.402 308 L HN 0.112 nan 8.230 nan 0.000 0.577 309 H N 0.389 119.438 119.070 -0.035 0.000 2.505 309 H HA 0.340 4.896 4.556 -0.000 0.000 0.338 309 H C 0.148 175.483 175.328 0.013 0.000 1.057 309 H CA -0.681 55.365 56.048 -0.003 0.000 1.202 309 H CB 1.279 31.094 29.762 0.088 0.000 1.466 309 H HN -0.028 nan 8.280 nan 0.000 0.499 310 K N 2.731 123.350 120.400 0.366 0.000 2.425 310 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 310 K C 0.547 177.246 176.600 0.166 0.000 1.128 310 K CA -0.085 56.306 56.287 0.173 0.000 1.000 310 K CB 0.932 33.500 32.500 0.112 0.000 0.961 310 K HN 0.373 nan 8.250 nan 0.000 0.555 311 S N 1.680 117.573 115.700 0.321 0.000 2.560 311 S HA 0.052 4.522 4.470 -0.000 0.000 0.284 311 S C 1.115 175.781 174.600 0.109 0.000 1.327 311 S CA -0.043 58.276 58.200 0.198 0.000 1.055 311 S CB 0.593 63.896 63.200 0.171 0.000 0.868 311 S HN 0.016 nan 8.310 nan 0.000 0.506 312 K N 2.392 122.799 120.400 0.012 0.000 2.486 312 K HA 0.074 4.394 4.320 -0.000 0.000 0.194 312 K C 0.477 177.034 176.600 -0.072 0.000 1.033 312 K CA 0.662 56.881 56.287 -0.114 0.000 1.004 312 K CB 0.052 32.385 32.500 -0.279 0.000 0.798 312 K HN 0.675 nan 8.250 nan 0.000 0.495 313 Q N -0.524 119.298 119.800 0.037 0.000 2.306 313 Q HA 0.315 4.655 4.340 -0.000 0.000 0.269 313 Q C 0.859 176.908 176.000 0.082 0.000 1.053 313 Q CA -0.550 55.282 55.803 0.049 0.000 0.879 313 Q CB 2.136 30.925 28.738 0.085 0.000 1.344 313 Q HN -0.075 nan 8.270 nan 0.000 0.464 314 R N 0.066 120.569 120.500 0.005 0.000 2.038 314 R HA 0.058 4.398 4.340 -0.000 0.000 0.214 314 R C 0.544 176.706 176.300 -0.231 0.000 1.249 314 R CA 1.087 57.163 56.100 -0.040 0.000 1.025 314 R CB 0.060 30.306 30.300 -0.090 0.000 0.911 314 R HN 0.807 nan 8.270 nan 0.000 0.456 315 T N -1.247 113.160 114.554 -0.245 0.000 2.899 315 T HA 0.159 4.509 4.350 -0.000 0.000 0.295 315 T C 1.104 175.477 174.700 -0.546 0.000 1.033 315 T CA -0.455 61.397 62.100 -0.414 0.000 1.084 315 T CB 1.193 69.893 68.868 -0.279 0.000 0.979 315 T HN 0.185 nan 8.240 nan 0.000 0.532 316 M N 0.986 120.045 119.600 -0.901 0.000 2.618 316 M HA 0.019 4.499 4.480 -0.000 0.000 0.240 316 M C 2.126 178.027 176.300 -0.664 0.000 1.123 316 M CA 0.258 55.058 55.300 -0.834 0.000 1.060 316 M CB -0.708 31.161 32.600 -1.219 0.000 1.535 316 M HN 0.779 nan 8.290 nan 0.000 0.507 317 T N 1.071 115.214 114.554 -0.685 0.000 2.680 317 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 317 T C 0.949 175.505 174.700 -0.240 0.000 1.033 317 T CA 1.552 63.373 62.100 -0.466 0.000 1.152 317 T CB -0.437 67.997 68.868 -0.723 0.000 0.859 317 T HN 0.467 nan 8.240 nan 0.000 0.452 318 F N 1.127 121.030 119.950 -0.079 0.000 2.819 318 F HA 0.370 4.897 4.527 -0.000 0.000 0.294 318 F C 0.739 176.518 175.800 -0.036 0.000 1.166 318 F CA -0.737 57.245 58.000 -0.031 0.000 1.374 318 F CB 0.200 39.195 39.000 -0.010 0.000 0.956 318 F HN -0.206 nan 8.300 nan 0.000 0.509 319 R N 1.153 121.692 120.500 0.066 0.000 2.718 319 R HA 0.148 4.488 4.340 -0.000 0.000 0.266 319 R C -2.164 174.149 176.300 0.021 0.000 1.776 319 R CA -1.365 54.755 56.100 0.033 0.000 1.567 319 R CB 0.568 30.854 30.300 -0.023 0.000 1.336 319 R HN -0.057 nan 8.270 nan 0.000 0.619 320 P HA -0.270 nan 4.420 nan 0.000 0.217 320 P C 1.261 178.607 177.300 0.076 0.000 1.158 320 P CA 1.352 64.500 63.100 0.080 0.000 0.887 320 P CB 0.415 32.162 31.700 0.079 0.000 0.792 321 L N -0.342 120.914 121.223 0.055 0.000 1.971 321 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 321 L C 2.895 179.788 176.870 0.038 0.000 1.072 321 L CA 2.184 57.050 54.840 0.042 0.000 0.758 321 L CB -1.261 40.816 42.059 0.029 0.000 0.889 321 L HN 0.041 nan 8.230 nan 0.000 0.433 322 S N -0.870 114.854 115.700 0.040 0.000 2.359 322 S HA -0.269 4.201 4.470 -0.000 0.000 0.224 322 S C 1.829 176.504 174.600 0.125 0.000 1.035 322 S CA 1.401 59.651 58.200 0.083 0.000 1.018 322 S CB -0.306 62.945 63.200 0.085 0.000 0.876 322 S HN 0.413 nan 8.310 nan 0.000 0.448 323 Q N 0.241 120.089 119.800 0.080 0.000 2.012 323 Q HA -0.225 4.115 4.340 -0.000 0.000 0.211 323 Q C 2.657 178.855 176.000 0.331 0.000 1.009 323 Q CA 2.152 58.059 55.803 0.172 0.000 0.866 323 Q CB -0.991 27.886 28.738 0.232 0.000 0.945 323 Q HN 0.822 nan 8.270 nan 0.000 0.414 324 T N -0.142 114.591 114.554 0.298 0.000 2.720 324 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 324 T C 1.840 176.661 174.700 0.201 0.000 1.037 324 T CA 1.243 63.532 62.100 0.316 0.000 1.144 324 T CB -0.392 68.582 68.868 0.178 0.000 0.864 324 T HN 0.148 nan 8.240 nan 0.000 0.444 325 L N 0.559 121.807 121.223 0.042 0.000 2.079 325 L HA 0.094 4.434 4.340 -0.000 0.000 0.210 325 L C 2.170 178.952 176.870 -0.147 0.000 1.081 325 L CA 1.566 56.298 54.840 -0.180 0.000 0.752 325 L CB -1.263 40.516 42.059 -0.467 0.000 0.896 325 L HN 0.437 nan 8.230 nan 0.000 0.433 326 F N -1.247 118.661 119.950 -0.069 0.000 2.102 326 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 326 F C 1.910 177.643 175.800 -0.111 0.000 1.105 326 F CA 1.778 59.805 58.000 0.046 0.000 1.239 326 F CB -0.590 38.361 39.000 -0.081 0.000 0.991 326 F HN 0.099 nan 8.300 nan 0.000 0.474 327 W N -0.067 121.414 121.300 0.302 0.000 2.425 327 W HA -0.094 4.566 4.660 -0.000 0.000 0.277 327 W C 2.105 178.616 176.519 -0.014 0.000 1.231 327 W CA 0.272 57.692 57.345 0.124 0.000 1.248 327 W CB -0.372 29.203 29.460 0.192 0.000 1.117 327 W HN 0.110 nan 8.180 nan 0.000 0.568 328 L N 0.002 121.342 121.223 0.196 0.000 2.093 328 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 328 L C 2.303 179.188 176.870 0.025 0.000 1.085 328 L CA 1.434 56.326 54.840 0.087 0.000 0.755 328 L CB -0.992 41.082 42.059 0.024 0.000 0.904 328 L HN 0.022 nan 8.230 nan 0.000 0.435 329 L N -1.439 119.749 121.223 -0.058 0.000 1.994 329 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 329 L C 2.370 179.184 176.870 -0.094 0.000 1.071 329 L CA 1.887 56.673 54.840 -0.089 0.000 0.745 329 L CB -0.774 41.197 42.059 -0.148 0.000 0.892 329 L HN 0.068 nan 8.230 nan 0.000 0.431 330 V N 0.631 120.411 119.914 -0.225 0.000 2.219 330 V HA -0.388 3.732 4.120 -0.000 0.000 0.248 330 V C 2.852 178.949 176.094 0.004 0.000 1.053 330 V CA 2.149 64.356 62.300 -0.155 0.000 1.009 330 V CB -1.739 30.038 31.823 -0.078 0.000 0.636 330 V HN 0.652 nan 8.190 nan 0.000 0.445 331 A N 0.299 123.166 122.820 0.078 0.000 1.948 331 A HA -0.333 3.987 4.320 -0.000 0.000 0.220 331 A C 2.048 179.672 177.584 0.066 0.000 1.177 331 A CA 2.414 54.496 52.037 0.074 0.000 0.636 331 A CB -0.999 18.050 19.000 0.082 0.000 0.815 331 A HN 0.623 nan 8.150 nan 0.000 0.449 332 N N -0.236 118.506 118.700 0.069 0.000 2.348 332 N HA -0.089 4.651 4.740 -0.000 0.000 0.185 332 N C 1.394 176.973 175.510 0.115 0.000 1.019 332 N CA 1.384 54.497 53.050 0.104 0.000 0.880 332 N CB -0.373 38.186 38.487 0.120 0.000 0.965 332 N HN 0.561 nan 8.380 nan 0.000 0.437 333 L N -0.625 120.638 121.223 0.067 0.000 2.102 333 L HA 0.016 4.356 4.340 -0.000 0.000 0.202 333 L C 2.233 179.134 176.870 0.051 0.000 1.076 333 L CA 0.319 55.172 54.840 0.021 0.000 0.761 333 L CB -0.431 41.571 42.059 -0.095 0.000 0.921 333 L HN 0.150 nan 8.230 nan 0.000 0.444 334 L N 0.080 121.330 121.223 0.044 0.000 1.997 334 L HA -0.328 4.012 4.340 -0.000 0.000 0.216 334 L C 2.522 179.474 176.870 0.136 0.000 1.074 334 L CA 1.806 56.685 54.840 0.065 0.000 0.763 334 L CB -0.370 41.713 42.059 0.041 0.000 0.890 334 L HN 0.198 nan 8.230 nan 0.000 0.434 335 I N -0.673 119.988 120.570 0.152 0.000 2.091 335 I HA -0.397 3.773 4.170 -0.000 0.000 0.239 335 I C 2.456 178.726 176.117 0.254 0.000 1.061 335 I CA 1.635 63.094 61.300 0.264 0.000 1.317 335 I CB -0.453 37.682 38.000 0.225 0.000 1.031 335 I HN 0.238 nan 8.210 nan 0.000 0.401 336 L N 0.080 121.398 121.223 0.159 0.000 2.051 336 L HA -0.277 4.063 4.340 -0.000 0.000 0.214 336 L C 2.672 179.604 176.870 0.103 0.000 1.076 336 L CA 1.806 56.709 54.840 0.105 0.000 0.758 336 L CB -0.997 41.130 42.059 0.114 0.000 0.890 336 L HN 0.344 nan 8.230 nan 0.000 0.433 337 T N -1.237 113.414 114.554 0.163 0.000 2.595 337 T HA -0.290 4.060 4.350 -0.000 0.000 0.264 337 T C 1.251 176.032 174.700 0.135 0.000 1.058 337 T CA 1.905 64.109 62.100 0.172 0.000 1.166 337 T CB -0.559 68.419 68.868 0.183 0.000 0.863 337 T HN 0.559 nan 8.240 nan 0.000 0.415 338 W N 2.416 123.704 121.300 -0.021 0.000 2.301 338 W HA -0.216 4.443 4.660 -0.000 0.000 0.325 338 W C 1.720 178.136 176.519 -0.171 0.000 1.250 338 W CA 0.984 58.280 57.345 -0.081 0.000 1.261 338 W CB -0.823 28.590 29.460 -0.079 0.000 1.157 338 W HN 0.110 nan 8.180 nan 0.000 0.473 339 I N 1.426 121.700 120.570 -0.494 0.000 2.381 339 I HA -0.239 3.931 4.170 -0.000 0.000 0.255 339 I C 2.464 178.224 176.117 -0.596 0.000 1.140 339 I CA 1.926 62.715 61.300 -0.852 0.000 1.404 339 I CB -2.179 35.553 38.000 -0.447 0.000 1.075 339 I HN 0.327 nan 8.210 nan 0.000 0.433 340 G N 0.355 108.971 108.800 -0.307 0.000 2.464 340 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 340 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 340 G C 1.491 176.317 174.900 -0.125 0.000 1.138 340 G CA 0.766 45.757 45.100 -0.182 0.000 0.793 340 G HN 0.549 nan 8.290 nan 0.000 0.539 341 S N -0.390 115.212 115.700 -0.164 0.000 2.671 341 S HA 0.283 4.753 4.470 -0.000 0.000 0.220 341 S C 0.582 175.059 174.600 -0.205 0.000 0.951 341 S CA -0.116 58.034 58.200 -0.084 0.000 0.932 341 S CB 0.185 63.386 63.200 0.001 0.000 0.777 341 S HN 0.227 nan 8.310 nan 0.000 0.508 342 Q N 1.693 121.238 119.800 -0.425 0.000 2.387 342 Q HA 0.547 4.887 4.340 -0.000 0.000 0.273 342 Q C -2.639 173.202 176.000 -0.265 0.000 1.089 342 Q CA -2.261 53.238 55.803 -0.507 0.000 0.824 342 Q CB 1.503 29.344 28.738 -1.494 0.000 1.367 342 Q HN 0.173 nan 8.270 nan 0.000 0.443 343 P HA 0.053 nan 4.420 nan 0.000 0.288 343 P C 0.124 177.458 177.300 0.056 0.000 1.291 343 P CA -0.214 62.906 63.100 0.034 0.000 0.766 343 P CB 0.428 32.177 31.700 0.081 0.000 1.242 344 V N -3.332 116.596 119.914 0.024 0.000 2.584 344 V HA 0.435 4.554 4.120 -0.000 0.000 0.319 344 V C 0.078 176.190 176.094 0.030 0.000 1.363 344 V CA -0.185 62.120 62.300 0.008 0.000 1.518 344 V CB -1.198 30.605 31.823 -0.034 0.000 1.514 344 V HN 0.326 nan 8.190 nan 0.000 0.553 345 E N 0.026 120.260 120.200 0.057 0.000 2.336 345 E HA 0.497 4.847 4.350 -0.000 0.000 0.267 345 E C -0.808 175.768 176.600 -0.040 0.000 0.906 345 E CA -1.093 55.308 56.400 0.003 0.000 0.781 345 E CB 1.926 31.603 29.700 -0.038 0.000 1.261 345 E HN 0.649 nan 8.360 nan 0.000 0.436 346 H N 2.545 121.547 119.070 -0.114 0.000 2.948 346 H HA 0.012 4.568 4.556 -0.000 0.000 0.351 346 H C -1.406 173.748 175.328 -0.290 0.000 1.079 346 H CA -0.677 55.293 56.048 -0.129 0.000 1.407 346 H CB 0.903 30.612 29.762 -0.088 0.000 1.373 346 H HN 0.325 nan 8.280 nan 0.000 0.605 347 P HA -0.108 nan 4.420 nan 0.000 0.222 347 P C 1.392 178.497 177.300 -0.325 0.000 1.157 347 P CA 0.892 63.430 63.100 -0.936 0.000 0.816 347 P CB 0.197 31.548 31.700 -0.582 0.000 0.813 348 F N 0.742 120.537 119.950 -0.259 0.000 2.068 348 F HA -0.321 4.206 4.527 -0.000 0.000 0.289 348 F C 2.529 178.201 175.800 -0.213 0.000 1.089 348 F CA 0.864 58.697 58.000 -0.279 0.000 1.263 348 F CB -1.193 37.630 39.000 -0.296 0.000 0.955 348 F HN -0.191 nan 8.300 nan 0.000 0.501 349 I N -0.361 120.247 120.570 0.063 0.000 2.118 349 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 349 I C 2.405 178.528 176.117 0.010 0.000 1.070 349 I CA 1.554 62.863 61.300 0.016 0.000 1.327 349 I CB -0.467 37.554 38.000 0.035 0.000 1.034 349 I HN 0.157 nan 8.210 nan 0.000 0.405 350 I N 0.971 121.556 120.570 0.024 0.000 2.226 350 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 350 I C 2.276 178.408 176.117 0.025 0.000 1.100 350 I CA 1.644 62.966 61.300 0.036 0.000 1.374 350 I CB -0.200 37.844 38.000 0.074 0.000 1.057 350 I HN 0.089 nan 8.210 nan 0.000 0.413 351 I N 0.053 120.634 120.570 0.018 0.000 2.226 351 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 351 I C 2.539 178.675 176.117 0.032 0.000 1.100 351 I CA 1.352 62.687 61.300 0.057 0.000 1.374 351 I CB -1.370 36.699 38.000 0.114 0.000 1.057 351 I HN 0.357 nan 8.210 nan 0.000 0.413 352 G N 0.457 109.245 108.800 -0.020 0.000 2.552 352 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 352 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 352 G C 1.506 176.398 174.900 -0.012 0.000 1.240 352 G CA 0.727 45.797 45.100 -0.049 0.000 0.796 352 G HN 0.388 nan 8.290 nan 0.000 0.568 353 Q N -0.669 119.123 119.800 -0.012 0.000 2.133 353 Q HA -0.156 4.184 4.340 -0.000 0.000 0.208 353 Q C 2.765 178.777 176.000 0.020 0.000 0.991 353 Q CA 1.645 57.445 55.803 -0.006 0.000 0.867 353 Q CB -0.244 28.491 28.738 -0.006 0.000 0.911 353 Q HN 0.354 nan 8.270 nan 0.000 0.417 354 M N -0.011 119.611 119.600 0.037 0.000 2.066 354 M HA -0.146 4.334 4.480 -0.000 0.000 0.259 354 M C 2.414 178.764 176.300 0.083 0.000 1.074 354 M CA 1.779 57.112 55.300 0.056 0.000 1.114 354 M CB -1.451 31.186 32.600 0.061 0.000 1.306 354 M HN 0.309 nan 8.290 nan 0.000 0.411 355 A N 0.531 123.407 122.820 0.093 0.000 1.896 355 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 355 A C 2.474 180.165 177.584 0.178 0.000 1.206 355 A CA 2.952 55.066 52.037 0.128 0.000 0.647 355 A CB -1.186 17.884 19.000 0.117 0.000 0.828 355 A HN 0.579 nan 8.150 nan 0.000 0.455 356 S N -0.449 115.339 115.700 0.146 0.000 2.353 356 S HA -0.183 4.287 4.470 -0.000 0.000 0.222 356 S C 1.851 176.608 174.600 0.262 0.000 1.035 356 S CA 1.500 59.826 58.200 0.210 0.000 1.025 356 S CB -0.624 62.620 63.200 0.073 0.000 0.902 356 S HN 0.436 nan 8.310 nan 0.000 0.440 357 L N 2.299 123.595 121.223 0.121 0.000 2.043 357 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 357 L C 2.551 179.524 176.870 0.173 0.000 1.075 357 L CA 2.138 57.036 54.840 0.096 0.000 0.752 357 L CB -0.877 41.211 42.059 0.047 0.000 0.891 357 L HN 0.488 nan 8.230 nan 0.000 0.432 358 S N -2.241 113.564 115.700 0.176 0.000 2.406 358 S HA -0.240 4.230 4.470 -0.000 0.000 0.228 358 S C 2.108 176.827 174.600 0.198 0.000 1.020 358 S CA 0.829 59.119 58.200 0.151 0.000 0.965 358 S CB -1.083 62.185 63.200 0.113 0.000 0.798 358 S HN 0.552 nan 8.310 nan 0.000 0.488 359 Y N 1.829 122.239 120.300 0.182 0.000 2.097 359 Y HA -0.126 4.424 4.550 -0.000 0.000 0.282 359 Y C 1.760 177.760 175.900 0.167 0.000 1.152 359 Y CA 1.735 59.938 58.100 0.172 0.000 1.136 359 Y CB -0.704 37.900 38.460 0.240 0.000 0.975 359 Y HN 0.242 nan 8.280 nan 0.000 0.498 360 F N 0.007 120.009 119.950 0.087 0.000 2.113 360 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 360 F C 2.552 178.325 175.800 -0.044 0.000 1.103 360 F CA 1.906 59.901 58.000 -0.007 0.000 1.248 360 F CB -1.340 37.725 39.000 0.110 0.000 0.999 360 F HN -0.056 nan 8.300 nan 0.000 0.475 361 T N 0.889 115.565 114.554 0.202 0.000 2.699 361 T HA -0.233 4.116 4.350 -0.000 0.000 0.268 361 T C 2.202 176.912 174.700 0.017 0.000 1.036 361 T CA 1.637 63.794 62.100 0.094 0.000 1.147 361 T CB -0.550 68.364 68.868 0.077 0.000 0.862 361 T HN 0.166 nan 8.240 nan 0.000 0.446 362 I N 0.545 121.095 120.570 -0.033 0.000 2.090 362 I HA -0.129 4.041 4.170 -0.000 0.000 0.236 362 I C 2.247 178.362 176.117 -0.004 0.000 1.064 362 I CA 1.378 62.617 61.300 -0.103 0.000 1.324 362 I CB -0.311 37.592 38.000 -0.160 0.000 1.044 362 I HN 0.191 nan 8.210 nan 0.000 0.399 363 L N 0.074 121.268 121.223 -0.047 0.000 2.265 363 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 363 L C 2.251 179.111 176.870 -0.016 0.000 1.117 363 L CA 0.998 55.822 54.840 -0.027 0.000 0.782 363 L CB -0.369 41.515 42.059 -0.292 0.000 0.914 363 L HN 0.337 nan 8.230 nan 0.000 0.441 364 L N -1.404 119.819 121.223 -0.000 0.000 2.286 364 L HA 0.048 4.388 4.340 -0.000 0.000 0.203 364 L C 2.026 178.925 176.870 0.049 0.000 1.068 364 L CA 0.719 55.581 54.840 0.036 0.000 0.811 364 L CB 0.193 42.297 42.059 0.075 0.000 0.989 364 L HN 0.159 nan 8.230 nan 0.000 0.467 365 I N -1.887 118.708 120.570 0.041 0.000 3.570 365 I HA -0.060 4.110 4.170 -0.000 0.000 0.270 365 I C 1.990 178.118 176.117 0.019 0.000 1.162 365 I CA -0.100 61.221 61.300 0.034 0.000 1.413 365 I CB 0.244 38.261 38.000 0.029 0.000 1.437 365 I HN -0.009 nan 8.210 nan 0.000 0.457 366 L N 0.926 122.137 121.223 -0.020 0.000 1.921 366 L HA -0.221 4.119 4.340 -0.000 0.000 0.219 366 L C 2.602 179.443 176.870 -0.047 0.000 1.081 366 L CA 2.308 57.100 54.840 -0.080 0.000 0.771 366 L CB -1.427 40.516 42.059 -0.193 0.000 0.888 366 L HN 0.190 nan 8.230 nan 0.000 0.433 367 F N 0.727 120.646 119.950 -0.053 0.000 2.063 367 F HA -0.283 4.244 4.527 -0.000 0.000 0.296 367 F C 0.079 175.849 175.800 -0.050 0.000 1.093 367 F CA 2.305 60.264 58.000 -0.068 0.000 1.229 367 F CB -1.582 37.351 39.000 -0.113 0.000 0.971 367 F HN 0.276 nan 8.300 nan 0.000 0.491 368 P HA -0.082 nan 4.420 nan 0.000 0.217 368 P C 1.381 178.731 177.300 0.083 0.000 1.151 368 P CA 1.771 64.936 63.100 0.108 0.000 0.828 368 P CB -0.183 31.564 31.700 0.078 0.000 0.788 369 T N 0.897 115.488 114.554 0.061 0.000 2.732 369 T HA -0.032 4.318 4.350 -0.000 0.000 0.261 369 T C 1.889 176.612 174.700 0.039 0.000 1.040 369 T CA 0.890 63.015 62.100 0.041 0.000 1.145 369 T CB -0.579 68.303 68.868 0.024 0.000 0.866 369 T HN -0.076 nan 8.240 nan 0.000 0.427 370 I N 1.878 122.463 120.570 0.026 0.000 2.423 370 I HA -0.100 4.070 4.170 -0.000 0.000 0.254 370 I C 2.662 178.810 176.117 0.051 0.000 1.151 370 I CA 0.999 62.311 61.300 0.020 0.000 1.421 370 I CB -1.887 36.102 38.000 -0.020 0.000 1.079 370 I HN 0.295 nan 8.210 nan 0.000 0.431 371 G N 0.421 109.268 108.800 0.078 0.000 2.434 371 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 371 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 371 G C 1.656 176.604 174.900 0.079 0.000 1.202 371 G CA 1.289 46.443 45.100 0.090 0.000 0.788 371 G HN 0.308 nan 8.290 nan 0.000 0.539 372 T N 1.386 115.983 114.554 0.071 0.000 2.580 372 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 372 T C 2.270 177.005 174.700 0.057 0.000 1.063 372 T CA 1.504 63.640 62.100 0.061 0.000 1.170 372 T CB -0.490 68.408 68.868 0.050 0.000 0.863 372 T HN 0.136 nan 8.240 nan 0.000 0.418 373 L N 1.289 122.540 121.223 0.047 0.000 2.089 373 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 373 L C 2.335 179.233 176.870 0.047 0.000 1.079 373 L CA 2.018 56.882 54.840 0.040 0.000 0.758 373 L CB -0.710 41.367 42.059 0.030 0.000 0.891 373 L HN 0.323 nan 8.230 nan 0.000 0.433 374 E N -0.679 119.553 120.200 0.053 0.000 2.038 374 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 374 E C 2.007 178.655 176.600 0.079 0.000 1.000 374 E CA 1.402 57.838 56.400 0.060 0.000 0.803 374 E CB -0.094 29.644 29.700 0.063 0.000 0.750 374 E HN 0.572 nan 8.360 nan 0.000 0.448 375 N N 0.749 119.506 118.700 0.094 0.000 2.060 375 N HA -0.216 4.524 4.740 -0.000 0.000 0.195 375 N C 1.577 177.167 175.510 0.133 0.000 1.028 375 N CA 1.425 54.555 53.050 0.134 0.000 0.861 375 N CB -0.222 38.333 38.487 0.113 0.000 1.029 375 N HN 0.191 nan 8.380 nan 0.000 0.428 376 K N 0.263 120.715 120.400 0.087 0.000 2.280 376 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 376 K C 1.966 178.587 176.600 0.035 0.000 1.047 376 K CA 0.749 57.072 56.287 0.061 0.000 0.942 376 K CB -0.080 32.447 32.500 0.044 0.000 0.739 376 K HN 0.232 nan 8.250 nan 0.000 0.457 377 M N 0.310 119.932 119.600 0.037 0.000 2.476 377 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 377 M C 1.578 177.877 176.300 -0.002 0.000 1.079 377 M CA 1.086 56.396 55.300 0.016 0.000 1.104 377 M CB 0.091 32.705 32.600 0.023 0.000 1.409 377 M HN 0.100 nan 8.290 nan 0.000 0.467 378 L N -0.471 120.759 121.223 0.011 0.000 2.509 378 L HA 0.027 4.367 4.340 -0.000 0.000 0.222 378 L C 0.534 177.294 176.870 -0.185 0.000 1.123 378 L CA 0.058 54.867 54.840 -0.052 0.000 0.856 378 L CB -0.247 41.852 42.059 0.065 0.000 0.985 378 L HN 0.429 nan 8.230 nan 0.000 0.456 379 N N -1.520 117.122 118.700 -0.096 0.000 2.861 379 N HA -0.239 4.501 4.740 -0.000 0.000 0.247 379 N C -0.451 174.983 175.510 -0.126 0.000 1.117 379 N CA 0.412 53.398 53.050 -0.108 0.000 0.703 379 N CB -1.511 36.891 38.487 -0.141 0.000 1.052 379 N HN 0.327 nan 8.380 nan 0.000 0.555 380 Y N 0.000 120.304 120.300 0.006 0.000 2.660 380 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 380 Y CA 0.000 58.103 58.100 0.006 0.000 1.940 380 Y CB 0.000 38.465 38.460 0.009 0.000 1.050 380 Y HN 0.000 nan 8.280 nan 0.000 0.758