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 1evu_1_A DATA FIRST_RESID 2 DATA SEQUENCE ETSRTAFGGR RAVPPNNSNA AEDDLPTVEX XXXXXXXXXX XEFLNVTSVH DATA SEQUENCE LFKERWDTNK VDHHTDKYEN NKLIVRRGQS FYVQIDFSRP YDPRRDLFRV DATA SEQUENCE EYVIGRYPQE NKGTYIPVPI VSELQSGKWG AKIVMREDRS VRLSIQSSPK DATA SEQUENCE CIVGKFRMYV AVWTPYGVLR TSRNPETDTY ILFNPWCEDD AVYLDNEKER DATA SEQUENCE EEYVLNDIGV IFYGEVNDIK TRSWSYGQFE DGILDTCLYV MDRAQMDLSG DATA SEQUENCE RGNPIKVSRV GSAMVNAKDD EGVLVGSWDN IYAYGVPPSA WTGSVDILLE DATA SEQUENCE YRSSENPVRY GQCWVFAGVF NTFLRCLGIP ARIVTNYFSA HDNDANLQMD DATA SEQUENCE IFLEEDGNVN SKLTKDSVWN YHCWNEAWMT RPDLPVGFGG WQAVDSTPQE DATA SEQUENCE NSDGMYRCGP ASVQAIKHGH VCFQFDAPFV FAEVNSDLIY ITAKKDGTHV DATA SEQUENCE VENVDATHIG KLIVTKQIGG DGMMDITDTY KFQEGQEEER LALETALMYG DATA SEQUENCE AKKPLNTXXX XXXXSNVDMD FEVENAVLGK DFKLSITFRN NSHNRYTITA DATA SEQUENCE YLSANITFYT GVPKAEFKKE TFDVTLEPLS FKKEAVLIQA GEYMGQLLEQ DATA SEQUENCE ASLHFFVTAR INETRDVLAK QKSTVLTIPE IIIKVRGTQV VGSDMTVTVQ DATA SEQUENCE FTNPLKETLR NVWVHLDGPG VTRPMKKMFR EIRPNSTVQW EEVCRPWVSG DATA SEQUENCE HRKLIASMSS DSLRHVYGEL DVQIQR 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.581 176.600 -0.032 0.000 1.382 2 E CA 0.000 56.385 56.400 -0.025 0.000 0.976 2 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 3 T N 0.711 115.248 114.554 -0.028 0.000 2.867 3 T HA 0.657 5.005 4.350 -0.005 0.000 0.282 3 T C 0.174 174.853 174.700 -0.035 0.000 1.000 3 T CA -0.681 61.398 62.100 -0.035 0.000 1.042 3 T CB 1.566 70.420 68.868 -0.024 0.000 0.973 3 T HN 0.171 nan 8.240 nan 0.000 0.465 4 S N 1.402 117.073 115.700 -0.049 0.000 2.508 4 S HA 0.759 5.226 4.470 -0.005 0.000 0.284 4 S C 0.877 175.459 174.600 -0.030 0.000 1.192 4 S CA -0.934 57.242 58.200 -0.040 0.000 1.070 4 S CB 0.926 64.092 63.200 -0.057 0.000 1.004 4 S HN 1.040 nan 8.310 nan 0.000 0.493 5 R N 0.805 121.299 120.500 -0.010 0.000 2.527 5 R HA 0.867 5.204 4.340 -0.005 0.000 0.243 5 R C 0.300 176.614 176.300 0.024 0.000 1.206 5 R CA -0.306 55.796 56.100 0.005 0.000 1.134 5 R CB -0.758 29.546 30.300 0.006 0.000 1.347 5 R HN 0.784 nan 8.270 nan 0.000 0.580 6 T N -1.128 113.446 114.554 0.033 0.000 0.541 6 T HA 0.116 4.463 4.350 -0.005 0.000 0.774 6 T C 0.089 174.835 174.700 0.078 0.000 0.992 6 T CA -0.092 62.038 62.100 0.049 0.000 4.077 6 T CB -0.842 68.056 68.868 0.050 0.000 2.303 6 T HN 2.190 nan 8.240 nan 0.000 0.398 7 A N 2.586 125.448 122.820 0.070 0.000 2.561 7 A HA 0.519 4.836 4.320 -0.005 0.000 0.234 7 A C -0.224 177.450 177.584 0.149 0.000 1.055 7 A CA 0.208 52.297 52.037 0.087 0.000 0.756 7 A CB -0.009 19.019 19.000 0.047 0.000 0.986 7 A HN 0.969 nan 8.150 nan 0.000 0.505 8 F N 1.590 121.535 119.950 -0.008 0.000 2.470 8 F HA 0.609 5.133 4.527 -0.004 0.000 0.329 8 F C 0.790 176.581 175.800 -0.015 0.000 1.072 8 F CA -0.741 57.253 58.000 -0.011 0.000 0.989 8 F CB 1.793 40.786 39.000 -0.010 0.000 1.193 8 F HN 0.543 nan 8.300 nan 0.000 0.481 9 G N 2.321 110.502 108.800 -1.031 0.000 3.286 9 G HA2 0.380 4.338 3.960 -0.005 0.000 0.303 9 G HA3 0.380 4.338 3.960 -0.005 0.000 0.303 9 G C 0.702 175.055 174.900 -0.912 0.000 0.974 9 G CA -0.008 44.661 45.100 -0.718 0.000 1.635 9 G HN 1.066 nan 8.290 nan 0.000 0.535 10 G N 1.311 109.798 108.800 -0.522 0.000 2.623 10 G HA2 -0.085 3.873 3.960 -0.005 0.000 0.214 10 G HA3 -0.085 3.873 3.960 -0.005 0.000 0.214 10 G C 1.696 176.564 174.900 -0.053 0.000 1.138 10 G CA 0.098 45.132 45.100 -0.110 0.000 0.794 10 G HN 0.530 nan 8.290 nan 0.000 0.535 11 R N 0.028 120.472 120.500 -0.094 0.000 2.119 11 R HA 0.222 4.560 4.340 -0.005 0.000 0.222 11 R C 0.828 177.085 176.300 -0.071 0.000 1.088 11 R CA 0.487 56.552 56.100 -0.058 0.000 0.984 11 R CB -0.036 30.227 30.300 -0.062 0.000 0.884 11 R HN 0.170 nan 8.270 nan 0.000 0.447 12 R N -2.393 118.036 120.500 -0.118 0.000 2.629 12 R HA 0.417 4.754 4.340 -0.005 0.000 0.266 12 R C -0.431 175.774 176.300 -0.157 0.000 1.051 12 R CA 0.088 56.119 56.100 -0.114 0.000 0.895 12 R CB 1.669 31.895 30.300 -0.124 0.000 1.246 12 R HN 0.095 nan 8.270 nan 0.000 0.459 13 A N 1.401 124.149 122.820 -0.120 0.000 1.975 13 A HA 0.069 4.386 4.320 -0.005 0.000 0.215 13 A C 0.541 178.027 177.584 -0.164 0.000 1.170 13 A CA 0.915 52.874 52.037 -0.130 0.000 0.656 13 A CB 0.332 19.294 19.000 -0.063 0.000 0.821 13 A HN 0.285 nan 8.150 nan 0.000 0.449 14 V N -0.299 119.508 119.914 -0.178 0.000 2.531 14 V HA 0.594 4.711 4.120 -0.005 0.000 0.301 14 V C -3.194 172.675 176.094 -0.375 0.000 1.034 14 V CA -2.698 59.434 62.300 -0.281 0.000 0.865 14 V CB 1.894 33.593 31.823 -0.207 0.000 0.995 14 V HN 0.137 nan 8.190 nan 0.000 0.424 15 P HA 0.230 nan 4.420 nan 0.000 0.267 15 P C -2.732 174.334 177.300 -0.389 0.000 1.201 15 P CA -0.702 62.088 63.100 -0.517 0.000 0.775 15 P CB -0.500 30.823 31.700 -0.628 0.000 0.854 16 P HA -0.024 nan 4.420 nan 0.000 0.264 16 P C -0.171 177.178 177.300 0.082 0.000 1.183 16 P CA 0.570 63.648 63.100 -0.036 0.000 0.763 16 P CB 0.055 31.749 31.700 -0.010 0.000 0.807 17 N N 2.957 121.726 118.700 0.115 0.000 2.949 17 N HA 0.089 4.826 4.740 -0.005 0.000 0.243 17 N C -0.139 175.428 175.510 0.096 0.000 1.113 17 N CA -0.253 52.908 53.050 0.184 0.000 0.980 17 N CB -0.798 37.788 38.487 0.165 0.000 1.256 17 N HN 0.391 nan 8.380 nan 0.000 0.508 18 N N -0.117 118.633 118.700 0.084 0.000 2.299 18 N HA 0.073 4.810 4.740 -0.005 0.000 0.246 18 N C -0.859 174.669 175.510 0.031 0.000 1.254 18 N CA -0.509 52.569 53.050 0.047 0.000 0.879 18 N CB 0.618 39.127 38.487 0.036 0.000 1.214 18 N HN 0.075 nan 8.380 nan 0.000 0.510 19 S N 0.244 115.959 115.700 0.025 0.000 2.677 19 S HA 0.221 4.689 4.470 -0.005 0.000 0.283 19 S C -0.021 174.568 174.600 -0.019 0.000 1.159 19 S CA -0.704 57.499 58.200 0.005 0.000 1.001 19 S CB 1.485 64.689 63.200 0.007 0.000 1.032 19 S HN 0.323 nan 8.310 nan 0.000 0.487 20 N N 3.511 122.197 118.700 -0.024 0.000 2.244 20 N HA -0.050 4.687 4.740 -0.005 0.000 0.183 20 N C 1.827 177.308 175.510 -0.049 0.000 1.016 20 N CA 1.138 54.149 53.050 -0.064 0.000 0.866 20 N CB -0.131 38.318 38.487 -0.064 0.000 0.980 20 N HN 0.707 nan 8.380 nan 0.000 0.430 21 A N 0.806 123.622 122.820 -0.006 0.000 1.930 21 A HA 0.195 4.512 4.320 -0.005 0.000 0.217 21 A C 1.143 178.713 177.584 -0.022 0.000 1.175 21 A CA 0.954 52.992 52.037 0.002 0.000 0.627 21 A CB -0.635 18.397 19.000 0.052 0.000 0.815 21 A HN 0.409 nan 8.150 nan 0.000 0.443 22 A N 0.200 122.999 122.820 -0.036 0.000 2.406 22 A HA 0.495 4.812 4.320 -0.005 0.000 0.243 22 A C 0.101 177.630 177.584 -0.091 0.000 1.082 22 A CA 0.272 52.270 52.037 -0.066 0.000 0.786 22 A CB 0.012 18.960 19.000 -0.086 0.000 1.029 22 A HN 0.653 nan 8.150 nan 0.000 0.495 23 E N 0.566 120.702 120.200 -0.107 0.000 2.392 23 E HA 0.456 4.804 4.350 -0.005 0.000 0.279 23 E C -1.808 174.713 176.600 -0.130 0.000 0.964 23 E CA -0.973 55.368 56.400 -0.097 0.000 0.777 23 E CB 1.339 31.015 29.700 -0.039 0.000 1.249 23 E HN 0.654 nan 8.360 nan 0.000 0.449 24 D N 0.779 121.103 120.400 -0.127 0.000 2.340 24 D HA 0.195 4.832 4.640 -0.005 0.000 0.251 24 D C -0.704 175.555 176.300 -0.068 0.000 1.080 24 D CA -0.473 53.452 54.000 -0.125 0.000 0.971 24 D CB 1.243 41.958 40.800 -0.142 0.000 1.137 24 D HN 0.322 nan 8.370 nan 0.000 0.475 25 D N 0.641 120.999 120.400 -0.069 0.000 2.396 25 D HA 0.239 4.876 4.640 -0.005 0.000 0.225 25 D C -0.649 175.592 176.300 -0.099 0.000 1.121 25 D CA -0.543 53.424 54.000 -0.054 0.000 0.853 25 D CB 0.440 41.216 40.800 -0.040 0.000 1.043 25 D HN 0.163 nan 8.370 nan 0.000 0.500 26 L N 6.059 127.190 121.223 -0.153 0.000 2.410 26 L HA 0.274 4.611 4.340 -0.005 0.000 0.273 26 L C -1.641 175.119 176.870 -0.185 0.000 1.152 26 L CA -1.191 53.498 54.840 -0.251 0.000 0.855 26 L CB 0.220 41.967 42.059 -0.519 0.000 1.129 26 L HN 0.274 nan 8.230 nan 0.000 0.463 27 P HA 0.039 nan 4.420 nan 0.000 0.265 27 P C 0.561 177.782 177.300 -0.132 0.000 1.193 27 P CA -0.097 62.927 63.100 -0.127 0.000 0.765 27 P CB 0.423 32.045 31.700 -0.129 0.000 0.823 28 T N -1.393 113.111 114.554 -0.084 0.000 3.067 28 T HA 0.113 4.460 4.350 -0.005 0.000 0.261 28 T C 0.731 175.384 174.700 -0.077 0.000 1.110 28 T CA 0.213 62.275 62.100 -0.063 0.000 1.113 28 T CB -0.359 68.495 68.868 -0.023 0.000 0.917 28 T HN 0.344 nan 8.240 nan 0.000 0.499 29 V N -1.333 118.530 119.914 -0.086 0.000 2.482 29 V HA 0.693 4.810 4.120 -0.005 0.000 0.295 29 V C -0.867 175.160 176.094 -0.111 0.000 1.026 29 V CA -1.209 61.036 62.300 -0.090 0.000 0.856 29 V CB 1.863 33.652 31.823 -0.057 0.000 1.001 29 V HN 0.222 nan 8.190 nan 0.000 0.424 44 F N 2.747 122.725 119.950 0.047 0.000 2.496 44 F HA 0.218 4.743 4.527 -0.005 0.000 0.344 44 F C 0.964 176.778 175.800 0.022 0.000 1.155 44 F CA -0.513 57.511 58.000 0.040 0.000 1.302 44 F CB 0.240 39.281 39.000 0.068 0.000 1.159 44 F HN 0.083 nan 8.300 nan 0.000 0.595 45 L N 2.343 123.669 121.223 0.172 0.000 2.581 45 L HA -0.110 4.227 4.340 -0.005 0.000 0.299 45 L C 0.071 177.029 176.870 0.148 0.000 1.261 45 L CA 0.549 55.407 54.840 0.029 0.000 0.866 45 L CB -0.843 41.046 42.059 -0.283 0.000 1.113 45 L HN 0.791 nan 8.230 nan 0.000 0.514 46 N N 1.126 119.948 118.700 0.204 0.000 2.287 46 N HA 0.469 5.206 4.740 -0.005 0.000 0.289 46 N C -1.548 174.125 175.510 0.271 0.000 1.066 46 N CA -0.718 52.462 53.050 0.217 0.000 0.841 46 N CB 1.621 40.193 38.487 0.141 0.000 1.599 46 N HN 0.175 nan 8.380 nan 0.000 0.476 47 V N 2.664 122.686 119.914 0.179 0.000 2.461 47 V HA 0.249 4.367 4.120 -0.005 0.000 0.275 47 V C 1.248 177.326 176.094 -0.027 0.000 1.047 47 V CA 0.129 62.441 62.300 0.020 0.000 0.955 47 V CB 0.891 32.681 31.823 -0.056 0.000 0.988 47 V HN 1.010 nan 8.190 nan 0.000 0.471 48 T N -0.159 114.351 114.554 -0.074 0.000 3.000 48 T HA 0.237 4.585 4.350 -0.005 0.000 0.248 48 T C 0.576 175.217 174.700 -0.097 0.000 1.034 48 T CA 0.486 62.557 62.100 -0.048 0.000 1.060 48 T CB 0.348 69.208 68.868 -0.014 0.000 0.983 48 T HN 0.858 nan 8.240 nan 0.000 0.482 49 S N -0.479 115.120 115.700 -0.167 0.000 2.595 49 S HA 0.618 5.085 4.470 -0.005 0.000 0.270 49 S C -1.903 172.479 174.600 -0.364 0.000 1.145 49 S CA -0.818 57.236 58.200 -0.243 0.000 0.825 49 S CB 1.656 64.721 63.200 -0.225 0.000 1.107 49 S HN 0.241 nan 8.310 nan 0.000 0.461 50 V N 2.902 122.525 119.914 -0.485 0.000 2.709 50 V HA 0.622 4.739 4.120 -0.005 0.000 0.308 50 V C -1.147 174.542 176.094 -0.675 0.000 1.062 50 V CA -0.552 61.480 62.300 -0.447 0.000 0.901 50 V CB 1.883 33.555 31.823 -0.252 0.000 1.003 50 V HN 1.001 nan 8.190 nan 0.000 0.425 51 H N 5.424 124.368 119.070 -0.209 0.000 2.609 51 H HA 0.467 5.020 4.556 -0.005 0.000 0.344 51 H C -0.155 174.970 175.328 -0.339 0.000 1.040 51 H CA -0.551 55.290 56.048 -0.345 0.000 1.216 51 H CB 2.513 31.925 29.762 -0.584 0.000 1.529 51 H HN 0.456 nan 8.280 nan 0.000 0.519 52 L N 2.350 123.486 121.223 -0.146 0.000 2.693 52 L HA 0.121 4.458 4.340 -0.005 0.000 0.235 52 L C -0.191 176.784 176.870 0.176 0.000 1.127 52 L CA -0.118 54.759 54.840 0.060 0.000 0.914 52 L CB 0.025 42.112 42.059 0.046 0.000 1.193 52 L HN 0.518 nan 8.230 nan 0.000 0.502 53 F N 1.482 121.461 119.950 0.048 0.000 2.866 53 F HA -0.293 4.231 4.527 -0.005 0.000 0.254 53 F C 1.356 177.087 175.800 -0.116 0.000 1.009 53 F CA 1.070 59.051 58.000 -0.033 0.000 0.907 53 F CB -1.382 37.631 39.000 0.022 0.000 0.859 53 F HN 0.309 nan 8.300 nan 0.000 0.842 54 K N -1.194 119.183 120.400 -0.039 0.000 2.358 54 K HA 0.186 4.504 4.320 -0.005 0.000 0.200 54 K C 0.351 176.834 176.600 -0.194 0.000 1.030 54 K CA -0.277 55.955 56.287 -0.092 0.000 1.097 54 K CB 0.606 33.071 32.500 -0.058 0.000 0.862 54 K HN 0.094 nan 8.250 nan 0.000 0.534 55 E N 2.038 122.026 120.200 -0.354 0.000 2.404 55 E HA 0.045 4.392 4.350 -0.005 0.000 0.261 55 E C 0.518 176.769 176.600 -0.581 0.000 1.074 55 E CA 0.094 56.177 56.400 -0.527 0.000 0.917 55 E CB 0.791 29.884 29.700 -1.011 0.000 0.965 55 E HN 0.203 nan 8.360 nan 0.000 0.433 56 R N 1.627 121.908 120.500 -0.365 0.000 2.237 56 R HA -0.065 4.272 4.340 -0.005 0.000 0.219 56 R C 1.835 178.062 176.300 -0.122 0.000 1.080 56 R CA 1.124 57.121 56.100 -0.172 0.000 0.995 56 R CB 0.011 30.298 30.300 -0.022 0.000 0.875 56 R HN 0.669 nan 8.270 nan 0.000 0.462 57 W N 0.127 121.443 121.300 0.027 0.000 3.003 57 W HA 0.208 4.863 4.660 -0.008 0.000 0.257 57 W C 0.022 176.555 176.519 0.022 0.000 1.308 57 W CA -0.646 56.711 57.345 0.019 0.000 1.529 57 W CB -0.323 29.149 29.460 0.020 0.000 1.115 57 W HN -0.165 nan 8.180 nan 0.000 0.659 58 D N 1.408 121.560 120.400 -0.414 0.000 2.398 58 D HA 0.050 4.687 4.640 -0.005 0.000 0.247 58 D C 1.377 177.641 176.300 -0.060 0.000 1.227 58 D CA 0.598 54.431 54.000 -0.277 0.000 0.980 58 D CB 1.829 42.283 40.800 -0.577 0.000 1.106 58 D HN -0.285 nan 8.370 nan 0.000 0.493 59 T N 0.858 115.411 114.554 -0.003 0.000 2.684 59 T HA -0.156 4.191 4.350 -0.005 0.000 0.267 59 T C 1.501 176.225 174.700 0.041 0.000 1.036 59 T CA 1.091 63.208 62.100 0.028 0.000 1.148 59 T CB -0.166 68.726 68.868 0.040 0.000 0.863 59 T HN 0.355 nan 8.240 nan 0.000 0.436 60 N N 1.078 119.811 118.700 0.055 0.000 2.028 60 N HA -0.030 4.707 4.740 -0.005 0.000 0.194 60 N C 1.933 177.452 175.510 0.015 0.000 1.050 60 N CA 1.153 54.247 53.050 0.075 0.000 0.848 60 N CB -0.249 38.244 38.487 0.010 0.000 1.038 60 N HN 0.405 nan 8.380 nan 0.000 0.423 61 K N 0.578 120.938 120.400 -0.067 0.000 2.097 61 K HA -0.024 4.293 4.320 -0.005 0.000 0.206 61 K C 2.042 178.590 176.600 -0.086 0.000 1.049 61 K CA 0.649 56.892 56.287 -0.073 0.000 0.933 61 K CB -0.168 32.281 32.500 -0.085 0.000 0.717 61 K HN -0.029 nan 8.250 nan 0.000 0.442 62 V N 2.036 121.896 119.914 -0.090 0.000 2.343 62 V HA -0.238 3.879 4.120 -0.005 0.000 0.247 62 V C 1.438 177.360 176.094 -0.287 0.000 1.051 62 V CA 1.948 64.170 62.300 -0.130 0.000 1.036 62 V CB -0.350 31.439 31.823 -0.057 0.000 0.654 62 V HN 0.271 nan 8.190 nan 0.000 0.451 63 D N -1.701 118.554 120.400 -0.241 0.000 2.277 63 D HA -0.061 4.576 4.640 -0.005 0.000 0.208 63 D C 1.939 177.823 176.300 -0.693 0.000 0.962 63 D CA 0.884 54.645 54.000 -0.399 0.000 0.865 63 D CB -0.193 40.498 40.800 -0.183 0.000 0.939 63 D HN 0.532 nan 8.370 nan 0.000 0.510 64 H N -0.653 118.125 119.070 -0.487 0.000 2.539 64 H HA 0.071 4.624 4.556 -0.005 0.000 0.269 64 H C -0.144 174.957 175.328 -0.378 0.000 0.980 64 H CA 0.296 56.118 56.048 -0.377 0.000 1.152 64 H CB 0.344 29.994 29.762 -0.188 0.000 1.407 64 H HN 0.292 nan 8.280 nan 0.000 0.564 65 H N -0.168 118.752 119.070 -0.250 0.000 2.882 65 H HA -0.131 4.422 4.556 -0.006 0.000 0.314 65 H C 0.605 175.894 175.328 -0.066 0.000 1.270 65 H CA 0.845 56.697 56.048 -0.326 0.000 1.165 65 H CB -1.878 27.371 29.762 -0.855 0.000 1.436 65 H HN 0.426 nan 8.280 nan 0.000 0.431 66 T N -4.102 110.494 114.554 0.071 0.000 3.209 66 T HA 0.028 4.375 4.350 -0.005 0.000 0.295 66 T C 1.308 176.105 174.700 0.162 0.000 0.977 66 T CA 0.154 62.396 62.100 0.238 0.000 0.922 66 T CB 0.410 69.362 68.868 0.139 0.000 1.152 66 T HN 0.374 nan 8.240 nan 0.000 0.527 67 D N 2.153 122.554 120.400 0.002 0.000 2.310 67 D HA -0.076 4.562 4.640 -0.005 0.000 0.212 67 D C 1.593 177.851 176.300 -0.070 0.000 0.965 67 D CA 0.505 54.488 54.000 -0.028 0.000 0.879 67 D CB -0.022 40.753 40.800 -0.042 0.000 0.921 67 D HN 0.377 nan 8.370 nan 0.000 0.510 68 K N -0.370 119.881 120.400 -0.248 0.000 2.155 68 K HA -0.053 4.265 4.320 -0.005 0.000 0.203 68 K C 0.212 176.682 176.600 -0.216 0.000 1.052 68 K CA 0.163 56.177 56.287 -0.456 0.000 0.948 68 K CB -0.191 31.544 32.500 -1.275 0.000 0.728 68 K HN 0.207 nan 8.250 nan 0.000 0.448 69 Y N 2.495 122.785 120.300 -0.017 0.000 2.610 69 Y HA -0.071 4.475 4.550 -0.007 0.000 0.332 69 Y C 0.810 176.759 175.900 0.082 0.000 1.201 69 Y CA 0.107 58.303 58.100 0.160 0.000 1.465 69 Y CB 0.292 38.806 38.460 0.090 0.000 1.283 69 Y HN -0.062 nan 8.280 nan 0.000 0.563 70 E N 3.794 124.134 120.200 0.234 0.000 1.999 70 E HA 0.004 4.352 4.350 -0.005 0.000 0.296 70 E C -0.568 176.092 176.600 0.100 0.000 1.187 70 E CA 0.046 56.526 56.400 0.132 0.000 1.229 70 E CB -0.498 29.255 29.700 0.089 0.000 1.131 70 E HN 0.458 nan 8.360 nan 0.000 0.478 71 N N 1.950 120.705 118.700 0.091 0.000 2.406 71 N HA 0.025 4.762 4.740 -0.005 0.000 0.283 71 N C -0.279 175.256 175.510 0.040 0.000 1.074 71 N CA -0.376 52.704 53.050 0.051 0.000 0.916 71 N CB 1.119 39.597 38.487 -0.014 0.000 1.639 71 N HN 0.062 nan 8.380 nan 0.000 0.485 72 N N 1.538 120.263 118.700 0.042 0.000 2.268 72 N HA 0.061 4.798 4.740 -0.005 0.000 0.204 72 N C -0.422 175.107 175.510 0.031 0.000 1.124 72 N CA 0.225 53.291 53.050 0.027 0.000 0.838 72 N CB 0.331 38.830 38.487 0.019 0.000 0.994 72 N HN 0.303 nan 8.380 nan 0.000 0.489 73 K N 0.339 120.785 120.400 0.077 0.000 2.090 73 K HA 0.233 4.551 4.320 -0.005 0.000 0.249 73 K C -0.220 176.420 176.600 0.066 0.000 0.995 73 K CA -1.036 55.310 56.287 0.098 0.000 0.914 73 K CB 1.435 34.067 32.500 0.220 0.000 1.057 73 K HN 0.120 nan 8.250 nan 0.000 0.462 74 L N 1.591 122.832 121.223 0.030 0.000 2.456 74 L HA 0.241 4.578 4.340 -0.005 0.000 0.272 74 L C -0.588 176.267 176.870 -0.025 0.000 1.189 74 L CA 0.605 55.420 54.840 -0.042 0.000 0.846 74 L CB 0.109 42.117 42.059 -0.084 0.000 1.111 74 L HN 0.437 nan 8.230 nan 0.000 0.475 75 I N 5.828 126.319 120.570 -0.132 0.000 2.571 75 I HA 0.493 4.660 4.170 -0.005 0.000 0.289 75 I C -0.639 175.314 176.117 -0.274 0.000 1.115 75 I CA -0.702 60.501 61.300 -0.161 0.000 1.045 75 I CB 1.915 39.753 38.000 -0.269 0.000 1.238 75 I HN 0.558 nan 8.210 nan 0.000 0.424 76 V N 2.616 122.327 119.914 -0.339 0.000 3.156 76 V HA 0.715 4.832 4.120 -0.005 0.000 0.311 76 V C -0.643 175.408 176.094 -0.072 0.000 1.208 76 V CA -0.992 61.048 62.300 -0.434 0.000 1.063 76 V CB 2.277 33.504 31.823 -0.993 0.000 1.098 76 V HN 0.691 nan 8.190 nan 0.000 0.452 77 R N 0.383 121.024 120.500 0.234 0.000 2.807 77 R HA 0.599 4.936 4.340 -0.005 0.000 0.276 77 R C -0.644 175.713 176.300 0.095 0.000 0.979 77 R CA -0.943 55.262 56.100 0.174 0.000 0.928 77 R CB 2.469 32.926 30.300 0.262 0.000 1.191 77 R HN 0.963 nan 8.270 nan 0.000 0.471 78 R N -0.138 120.367 120.500 0.007 0.000 2.582 78 R HA 0.422 4.760 4.340 -0.005 0.000 0.271 78 R C 0.386 176.639 176.300 -0.077 0.000 1.078 78 R CA 0.384 56.422 56.100 -0.103 0.000 1.127 78 R CB 0.578 30.801 30.300 -0.130 0.000 1.038 78 R HN 0.780 nan 8.270 nan 0.000 0.500 79 G N -0.012 108.684 108.800 -0.173 0.000 2.175 79 G HA2 -0.306 3.651 3.960 -0.005 0.000 0.244 79 G HA3 -0.306 3.651 3.960 -0.005 0.000 0.244 79 G C -0.125 174.707 174.900 -0.113 0.000 0.982 79 G CA 0.466 45.481 45.100 -0.141 0.000 0.641 79 G HN 0.729 nan 8.290 nan 0.000 0.527 80 Q N 0.771 120.524 119.800 -0.078 0.000 2.347 80 Q HA 0.593 4.930 4.340 -0.005 0.000 0.271 80 Q C 0.405 176.444 176.000 0.064 0.000 1.064 80 Q CA -0.051 55.716 55.803 -0.059 0.000 0.800 80 Q CB 1.614 30.248 28.738 -0.173 0.000 1.304 80 Q HN 0.694 nan 8.270 nan 0.000 0.438 81 S N 2.949 118.627 115.700 -0.037 0.000 2.549 81 S HA 0.449 4.917 4.470 -0.005 0.000 0.283 81 S C -0.318 174.336 174.600 0.090 0.000 1.320 81 S CA -0.394 57.757 58.200 -0.081 0.000 1.058 81 S CB 0.000 63.064 63.200 -0.227 0.000 0.882 81 S HN 0.436 nan 8.310 nan 0.000 0.498 82 F N -0.458 119.390 119.950 -0.170 0.000 2.620 82 F HA 0.776 5.301 4.527 -0.002 0.000 0.320 82 F C -1.473 174.152 175.800 -0.291 0.000 1.069 82 F CA -1.969 55.898 58.000 -0.220 0.000 0.953 82 F CB 0.634 39.490 39.000 -0.240 0.000 1.322 82 F HN 0.447 nan 8.300 nan 0.000 0.479 83 Y N 1.561 121.951 120.300 0.150 0.000 2.342 83 Y HA 0.637 5.184 4.550 -0.005 0.000 0.334 83 Y C 0.135 176.220 175.900 0.309 0.000 1.067 83 Y CA -1.032 57.107 58.100 0.064 0.000 1.128 83 Y CB 1.840 40.218 38.460 -0.136 0.000 1.200 83 Y HN 0.697 nan 8.280 nan 0.000 0.464 84 V N 0.627 120.797 119.914 0.428 0.000 3.102 84 V HA 0.678 4.795 4.120 -0.005 0.000 0.312 84 V C -1.149 175.215 176.094 0.449 0.000 1.135 84 V CA -1.068 61.506 62.300 0.456 0.000 1.022 84 V CB 2.042 34.035 31.823 0.283 0.000 1.056 84 V HN 0.755 nan 8.190 nan 0.000 0.436 85 Q N 1.337 121.325 119.800 0.313 0.000 2.356 85 Q HA 0.692 5.030 4.340 -0.005 0.000 0.270 85 Q C -1.740 174.304 176.000 0.072 0.000 1.058 85 Q CA -0.822 55.110 55.803 0.215 0.000 0.802 85 Q CB 2.388 31.273 28.738 0.244 0.000 1.303 85 Q HN 0.882 nan 8.270 nan 0.000 0.444 86 I N 2.730 123.260 120.570 -0.066 0.000 2.378 86 I HA 0.360 4.528 4.170 -0.005 0.000 0.291 86 I C -0.856 175.006 176.117 -0.425 0.000 0.992 86 I CA -0.974 60.118 61.300 -0.346 0.000 1.154 86 I CB 1.675 39.259 38.000 -0.693 0.000 1.315 86 I HN 0.507 nan 8.210 nan 0.000 0.448 87 D N 6.063 126.244 120.400 -0.365 0.000 2.198 87 D HA 0.532 5.169 4.640 -0.005 0.000 0.245 87 D C -0.520 175.545 176.300 -0.392 0.000 1.079 87 D CA 0.125 53.979 54.000 -0.243 0.000 0.854 87 D CB 1.508 42.281 40.800 -0.045 0.000 1.148 87 D HN 0.114 nan 8.370 nan 0.000 0.456 88 F N -0.179 119.757 119.950 -0.023 0.000 2.585 88 F HA 0.217 4.742 4.527 -0.003 0.000 0.350 88 F C 2.005 177.804 175.800 -0.001 0.000 1.074 88 F CA -0.798 57.183 58.000 -0.031 0.000 1.032 88 F CB 0.706 39.677 39.000 -0.048 0.000 1.330 88 F HN 0.216 nan 8.300 nan 0.000 0.495 89 S N -0.093 115.758 115.700 0.251 0.000 2.395 89 S HA 0.048 4.516 4.470 -0.005 0.000 0.225 89 S C 0.521 175.185 174.600 0.106 0.000 1.027 89 S CA 0.371 58.649 58.200 0.131 0.000 0.965 89 S CB -0.342 62.923 63.200 0.108 0.000 0.812 89 S HN 0.663 nan 8.310 nan 0.000 0.482 90 R N 0.240 120.808 120.500 0.114 0.000 2.922 90 R HA 0.678 5.015 4.340 -0.005 0.000 0.256 90 R C -3.573 172.791 176.300 0.107 0.000 1.138 90 R CA -2.515 53.633 56.100 0.080 0.000 0.995 90 R CB -0.409 29.910 30.300 0.032 0.000 1.226 90 R HN -0.110 nan 8.270 nan 0.000 0.481 91 P HA -0.112 nan 4.420 nan 0.000 0.267 91 P C -1.297 176.043 177.300 0.066 0.000 1.200 91 P CA 0.125 63.288 63.100 0.106 0.000 0.772 91 P CB 0.108 31.846 31.700 0.063 0.000 0.855 92 Y N 2.893 123.182 120.300 -0.019 0.000 2.425 92 Y HA 0.262 4.809 4.550 -0.004 0.000 0.331 92 Y C -0.136 175.753 175.900 -0.018 0.000 1.157 92 Y CA -0.074 57.958 58.100 -0.113 0.000 1.372 92 Y CB 0.261 38.694 38.460 -0.045 0.000 1.253 92 Y HN 0.248 nan 8.280 nan 0.000 0.536 93 D N 8.493 128.487 120.400 -0.677 0.000 2.542 93 D HA 0.292 4.929 4.640 -0.005 0.000 0.252 93 D C -2.187 173.675 176.300 -0.730 0.000 1.222 93 D CA -2.517 51.142 54.000 -0.570 0.000 0.895 93 D CB 2.079 42.729 40.800 -0.250 0.000 1.207 93 D HN 0.334 nan 8.370 nan 0.000 0.558 94 P HA -0.158 nan 4.420 nan 0.000 0.221 94 P C 1.297 178.503 177.300 -0.155 0.000 1.145 94 P CA 0.668 63.557 63.100 -0.351 0.000 0.795 94 P CB 0.292 31.910 31.700 -0.138 0.000 0.775 95 R N 0.185 120.602 120.500 -0.138 0.000 2.115 95 R HA -0.033 4.304 4.340 -0.005 0.000 0.230 95 R C 1.503 177.774 176.300 -0.048 0.000 1.111 95 R CA 1.222 57.279 56.100 -0.072 0.000 0.976 95 R CB -0.026 30.236 30.300 -0.062 0.000 0.870 95 R HN -0.041 nan 8.270 nan 0.000 0.445 96 R N 0.112 120.577 120.500 -0.060 0.000 2.572 96 R HA 0.231 4.568 4.340 -0.005 0.000 0.370 96 R C -1.298 175.035 176.300 0.054 0.000 1.005 96 R CA -0.147 55.954 56.100 0.002 0.000 1.146 96 R CB 0.835 31.139 30.300 0.005 0.000 1.390 96 R HN 0.122 nan 8.270 nan 0.000 0.553 97 D N 0.084 120.503 120.400 0.031 0.000 2.248 97 D HA 0.306 4.944 4.640 -0.005 0.000 0.246 97 D C -1.206 175.253 176.300 0.265 0.000 1.027 97 D CA -0.482 53.612 54.000 0.156 0.000 0.853 97 D CB 2.347 43.217 40.800 0.116 0.000 1.243 97 D HN -0.095 nan 8.370 nan 0.000 0.462 98 L N 3.557 124.959 121.223 0.298 0.000 2.439 98 L HA 0.610 4.947 4.340 -0.005 0.000 0.270 98 L C -1.731 175.388 176.870 0.416 0.000 0.972 98 L CA -0.650 54.347 54.840 0.262 0.000 0.836 98 L CB 1.181 43.308 42.059 0.112 0.000 1.255 98 L HN 0.336 nan 8.230 nan 0.000 0.404 99 F N 3.485 123.544 119.950 0.182 0.000 2.631 99 F HA 0.904 5.428 4.527 -0.005 0.000 0.308 99 F C -1.318 174.580 175.800 0.164 0.000 1.097 99 F CA -0.867 57.290 58.000 0.261 0.000 0.952 99 F CB 1.506 40.647 39.000 0.234 0.000 1.307 99 F HN 0.640 nan 8.300 nan 0.000 0.450 100 R N 1.815 122.449 120.500 0.223 0.000 2.643 100 R HA 0.762 5.099 4.340 -0.005 0.000 0.269 100 R C -2.197 174.232 176.300 0.215 0.000 1.037 100 R CA -1.110 54.979 56.100 -0.018 0.000 0.894 100 R CB 1.690 31.898 30.300 -0.152 0.000 1.238 100 R HN 0.609 nan 8.270 nan 0.000 0.459 101 V N 1.754 121.725 119.914 0.095 0.000 2.811 101 V HA 0.165 4.283 4.120 -0.005 0.000 0.302 101 V C 0.181 176.226 176.094 -0.080 0.000 1.063 101 V CA 0.092 62.405 62.300 0.022 0.000 1.088 101 V CB 1.106 32.913 31.823 -0.026 0.000 0.982 101 V HN 0.751 nan 8.190 nan 0.000 0.485 102 E N 2.227 122.345 120.200 -0.137 0.000 2.238 102 E HA 0.556 4.904 4.350 -0.005 0.000 0.267 102 E C -1.836 174.543 176.600 -0.368 0.000 0.887 102 E CA -0.601 55.696 56.400 -0.172 0.000 0.769 102 E CB 2.255 32.014 29.700 0.099 0.000 1.187 102 E HN 0.596 nan 8.360 nan 0.000 0.416 103 Y N 0.567 120.782 120.300 -0.142 0.000 2.409 103 Y HA 0.518 5.065 4.550 -0.005 0.000 0.343 103 Y C -0.472 175.516 175.900 0.146 0.000 0.973 103 Y CA -0.908 57.190 58.100 -0.004 0.000 1.064 103 Y CB 2.020 40.338 38.460 -0.237 0.000 1.207 103 Y HN 0.262 nan 8.280 nan 0.000 0.452 104 V N 5.595 125.796 119.914 0.479 0.000 2.841 104 V HA 0.737 4.854 4.120 -0.005 0.000 0.310 104 V C -1.757 174.503 176.094 0.277 0.000 1.090 104 V CA -0.810 61.718 62.300 0.379 0.000 0.930 104 V CB 1.942 33.976 31.823 0.352 0.000 1.014 104 V HN 0.776 nan 8.190 nan 0.000 0.425 105 I N 5.856 126.501 120.570 0.126 0.000 2.586 105 I HA 0.817 4.984 4.170 -0.005 0.000 0.288 105 I C -0.008 176.074 176.117 -0.059 0.000 1.147 105 I CA 0.825 62.066 61.300 -0.098 0.000 1.047 105 I CB 1.434 39.156 38.000 -0.463 0.000 1.244 105 I HN 1.475 nan 8.210 nan 0.000 0.429 106 G N 5.485 114.241 108.800 -0.074 0.000 2.655 106 G HA2 -0.230 3.727 3.960 -0.005 0.000 0.680 106 G HA3 -0.230 3.727 3.960 -0.005 0.000 0.680 106 G C -0.167 174.661 174.900 -0.121 0.000 1.302 106 G CA 0.052 45.108 45.100 -0.073 0.000 0.872 106 G HN 0.931 nan 8.290 nan 0.000 0.540 107 R N -0.993 119.359 120.500 -0.246 0.000 2.161 107 R HA 0.210 4.547 4.340 -0.005 0.000 0.213 107 R C 0.639 176.536 176.300 -0.671 0.000 1.055 107 R CA 1.558 57.344 56.100 -0.523 0.000 0.996 107 R CB -0.140 29.692 30.300 -0.779 0.000 0.901 107 R HN 0.601 nan 8.270 nan 0.000 0.456 108 Y N 1.611 121.907 120.300 -0.007 0.000 2.553 108 Y HA 0.437 4.985 4.550 -0.004 0.000 0.369 108 Y C -2.249 173.655 175.900 0.007 0.000 0.964 108 Y CA -3.484 54.610 58.100 -0.009 0.000 1.156 108 Y CB 0.584 39.036 38.460 -0.013 0.000 1.218 108 Y HN 0.056 nan 8.280 nan 0.000 0.630 109 P HA 0.166 nan 4.420 nan 0.000 0.275 109 P C -0.691 176.684 177.300 0.125 0.000 1.228 109 P CA -0.085 63.088 63.100 0.121 0.000 0.786 109 P CB 1.605 33.383 31.700 0.131 0.000 0.927 110 Q N 0.315 120.213 119.800 0.163 0.000 2.295 110 Q HA 0.086 4.424 4.340 -0.005 0.000 0.268 110 Q C 0.585 176.699 176.000 0.190 0.000 1.010 110 Q CA -0.422 55.467 55.803 0.143 0.000 0.856 110 Q CB 2.262 31.058 28.738 0.098 0.000 1.349 110 Q HN 0.501 nan 8.270 nan 0.000 0.412 111 E N 1.787 122.129 120.200 0.237 0.000 2.110 111 E HA -0.220 4.127 4.350 -0.005 0.000 0.193 111 E C 1.159 177.828 176.600 0.116 0.000 0.988 111 E CA 1.998 58.525 56.400 0.212 0.000 0.804 111 E CB 0.321 30.176 29.700 0.259 0.000 0.745 111 E HN 0.611 nan 8.360 nan 0.000 0.458 112 N N 0.180 118.941 118.700 0.101 0.000 2.494 112 N HA -0.111 4.626 4.740 -0.005 0.000 0.182 112 N C 0.893 176.449 175.510 0.077 0.000 1.076 112 N CA 0.629 53.724 53.050 0.076 0.000 0.908 112 N CB 0.118 38.642 38.487 0.061 0.000 0.967 112 N HN -0.014 nan 8.380 nan 0.000 0.449 113 K N -0.291 120.161 120.400 0.088 0.000 2.404 113 K HA 0.227 4.544 4.320 -0.005 0.000 0.194 113 K C 0.937 177.599 176.600 0.103 0.000 1.023 113 K CA 0.438 56.778 56.287 0.088 0.000 1.094 113 K CB -0.276 32.276 32.500 0.088 0.000 0.841 113 K HN 0.388 nan 8.250 nan 0.000 0.523 114 G N 1.536 110.401 108.800 0.107 0.000 2.136 114 G HA2 -0.289 3.668 3.960 -0.005 0.000 0.242 114 G HA3 -0.289 3.668 3.960 -0.005 0.000 0.242 114 G C 0.725 175.716 174.900 0.151 0.000 0.989 114 G CA 1.025 46.197 45.100 0.120 0.000 0.682 114 G HN 0.370 nan 8.290 nan 0.000 0.522 115 T N -3.748 110.897 114.554 0.151 0.000 3.003 115 T HA 0.453 4.800 4.350 -0.005 0.000 0.261 115 T C 0.366 175.197 174.700 0.219 0.000 1.003 115 T CA 0.577 62.784 62.100 0.179 0.000 0.917 115 T CB 0.494 69.441 68.868 0.131 0.000 1.084 115 T HN 1.024 nan 8.240 nan 0.000 0.522 116 Y N 1.838 122.180 120.300 0.070 0.000 2.328 116 Y HA 0.679 5.226 4.550 -0.005 0.000 0.333 116 Y C -1.364 174.528 175.900 -0.012 0.000 0.958 116 Y CA -2.454 55.671 58.100 0.041 0.000 1.167 116 Y CB 0.863 39.336 38.460 0.021 0.000 1.151 116 Y HN 0.128 nan 8.280 nan 0.000 0.470 117 I N 9.891 130.067 120.570 -0.656 0.000 2.502 117 I HA 0.313 4.480 4.170 -0.005 0.000 0.276 117 I C -2.482 173.146 176.117 -0.815 0.000 1.057 117 I CA -2.179 58.684 61.300 -0.730 0.000 1.163 117 I CB 1.404 38.892 38.000 -0.854 0.000 1.288 117 I HN 0.474 nan 8.210 nan 0.000 0.479 118 P HA 0.060 nan 4.420 nan 0.000 0.271 118 P C -0.350 176.764 177.300 -0.309 0.000 1.233 118 P CA 0.071 62.910 63.100 -0.435 0.000 0.764 118 P CB 0.974 32.532 31.700 -0.237 0.000 0.825 119 V N 6.872 126.654 119.914 -0.220 0.000 2.348 119 V HA 0.265 4.382 4.120 -0.005 0.000 0.270 119 V C -1.794 174.235 176.094 -0.108 0.000 1.037 119 V CA -1.973 60.265 62.300 -0.103 0.000 0.872 119 V CB 0.894 32.732 31.823 0.025 0.000 1.002 119 V HN 0.520 nan 8.190 nan 0.000 0.464 120 P HA 0.255 nan 4.420 nan 0.000 0.275 120 P C -0.514 176.695 177.300 -0.150 0.000 1.227 120 P CA -0.417 62.590 63.100 -0.156 0.000 0.781 120 P CB 0.862 32.492 31.700 -0.117 0.000 0.906 121 I N 3.669 124.106 120.570 -0.221 0.000 2.452 121 I HA 0.079 4.247 4.170 -0.005 0.000 0.287 121 I C 0.874 176.919 176.117 -0.119 0.000 1.079 121 I CA -0.178 61.000 61.300 -0.204 0.000 1.387 121 I CB 0.091 37.914 38.000 -0.295 0.000 1.404 121 I HN 0.184 nan 8.210 nan 0.000 0.522 122 V N 3.371 123.239 119.914 -0.078 0.000 3.046 122 V HA 0.564 4.682 4.120 -0.005 0.000 0.316 122 V C 0.673 176.749 176.094 -0.030 0.000 1.104 122 V CA -0.600 61.669 62.300 -0.050 0.000 1.006 122 V CB 1.717 33.515 31.823 -0.042 0.000 1.058 122 V HN 0.620 nan 8.190 nan 0.000 0.440 123 S N 0.565 116.254 115.700 -0.019 0.000 2.436 123 S HA 0.186 4.653 4.470 -0.005 0.000 0.228 123 S C 0.356 174.951 174.600 -0.007 0.000 1.014 123 S CA 0.801 58.998 58.200 -0.005 0.000 0.950 123 S CB -0.299 62.900 63.200 -0.003 0.000 0.784 123 S HN 0.858 nan 8.310 nan 0.000 0.504 124 E N 0.090 120.281 120.200 -0.016 0.000 2.343 124 E HA 0.354 4.701 4.350 -0.005 0.000 0.278 124 E C -1.145 175.437 176.600 -0.030 0.000 0.910 124 E CA -0.411 55.977 56.400 -0.019 0.000 0.757 124 E CB 1.522 31.212 29.700 -0.016 0.000 1.218 124 E HN 0.096 nan 8.360 nan 0.000 0.435 125 L N 1.710 122.910 121.223 -0.039 0.000 2.461 125 L HA 0.136 4.473 4.340 -0.005 0.000 0.272 125 L C 0.731 177.574 176.870 -0.045 0.000 1.197 125 L CA 0.162 54.971 54.840 -0.051 0.000 0.836 125 L CB 0.276 42.292 42.059 -0.072 0.000 1.105 125 L HN 0.220 nan 8.230 nan 0.000 0.477 126 Q N 1.512 121.285 119.800 -0.044 0.000 2.282 126 Q HA 0.259 4.596 4.340 -0.005 0.000 0.260 126 Q C -0.551 175.418 176.000 -0.052 0.000 0.964 126 Q CA -0.589 55.190 55.803 -0.040 0.000 0.880 126 Q CB 2.195 30.917 28.738 -0.027 0.000 1.286 126 Q HN 0.579 nan 8.270 nan 0.000 0.445 127 S N 0.228 115.898 115.700 -0.050 0.000 2.549 127 S HA 0.262 4.729 4.470 -0.005 0.000 0.286 127 S C 1.069 175.636 174.600 -0.056 0.000 1.314 127 S CA 1.371 59.535 58.200 -0.060 0.000 1.062 127 S CB -0.000 63.168 63.200 -0.054 0.000 0.865 127 S HN 0.923 nan 8.310 nan 0.000 0.498 128 G N 3.886 112.643 108.800 -0.072 0.000 2.217 128 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.246 128 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.246 128 G C -0.112 174.757 174.900 -0.051 0.000 0.990 128 G CA 0.339 45.404 45.100 -0.058 0.000 0.627 128 G HN 0.669 nan 8.290 nan 0.000 0.522 129 K N -1.035 119.334 120.400 -0.052 0.000 2.340 129 K HA 0.543 4.860 4.320 -0.005 0.000 0.244 129 K C -0.773 175.830 176.600 0.006 0.000 0.973 129 K CA -1.076 55.214 56.287 0.004 0.000 0.828 129 K CB 1.552 34.068 32.500 0.026 0.000 1.226 129 K HN 0.066 nan 8.250 nan 0.000 0.437 130 W N 0.443 121.714 121.300 -0.047 0.000 2.202 130 W HA 0.422 5.078 4.660 -0.006 0.000 0.332 130 W C 0.595 177.072 176.519 -0.069 0.000 1.263 130 W CA 0.850 58.161 57.345 -0.057 0.000 1.223 130 W CB 1.465 30.893 29.460 -0.053 0.000 1.128 130 W HN 0.719 nan 8.180 nan 0.000 0.573 131 G N 0.371 109.297 108.800 0.211 0.000 2.616 131 G HA2 0.614 4.571 3.960 -0.005 0.000 0.294 131 G HA3 0.614 4.571 3.960 -0.005 0.000 0.294 131 G C -2.231 172.681 174.900 0.020 0.000 1.489 131 G CA -0.658 44.483 45.100 0.069 0.000 0.836 131 G HN 0.706 nan 8.290 nan 0.000 0.527 132 A N 1.161 123.967 122.820 -0.024 0.000 2.335 132 A HA 0.811 5.129 4.320 -0.005 0.000 0.304 132 A C -0.318 177.228 177.584 -0.064 0.000 1.118 132 A CA -0.687 51.316 52.037 -0.057 0.000 0.757 132 A CB 1.586 20.558 19.000 -0.046 0.000 1.188 132 A HN 0.762 nan 8.150 nan 0.000 0.460 133 K N 3.662 124.029 120.400 -0.055 0.000 2.206 133 K HA 0.574 4.892 4.320 -0.005 0.000 0.264 133 K C -1.080 175.527 176.600 0.011 0.000 0.967 133 K CA -0.563 55.708 56.287 -0.026 0.000 0.844 133 K CB 0.794 33.280 32.500 -0.023 0.000 1.099 133 K HN 0.687 nan 8.250 nan 0.000 0.441 134 I N 5.866 126.454 120.570 0.029 0.000 2.421 134 I HA -0.049 4.119 4.170 -0.005 0.000 0.291 134 I C 1.220 177.386 176.117 0.083 0.000 1.089 134 I CA -0.239 61.103 61.300 0.071 0.000 1.354 134 I CB 0.913 38.968 38.000 0.092 0.000 1.413 134 I HN 0.537 nan 8.210 nan 0.000 0.513 135 V N 3.584 123.556 119.914 0.097 0.000 3.660 135 V HA 0.363 4.480 4.120 -0.005 0.000 0.276 135 V C 0.313 176.455 176.094 0.081 0.000 1.317 135 V CA -0.038 62.317 62.300 0.092 0.000 1.097 135 V CB -0.018 31.881 31.823 0.127 0.000 0.863 135 V HN 0.769 nan 8.190 nan 0.000 0.438 136 M N 0.959 120.616 119.600 0.095 0.000 2.333 136 M HA 0.573 5.050 4.480 -0.005 0.000 0.286 136 M C -1.720 174.649 176.300 0.116 0.000 1.113 136 M CA -0.324 55.027 55.300 0.086 0.000 0.959 136 M CB 2.136 34.773 32.600 0.061 0.000 1.776 136 M HN 0.115 nan 8.290 nan 0.000 0.492 137 R N 3.207 123.779 120.500 0.121 0.000 2.409 137 R HA 0.571 4.908 4.340 -0.005 0.000 0.313 137 R C -1.376 174.992 176.300 0.113 0.000 0.953 137 R CA -0.637 55.553 56.100 0.151 0.000 0.849 137 R CB 1.926 32.342 30.300 0.194 0.000 1.171 137 R HN 0.626 nan 8.270 nan 0.000 0.458 138 E N 2.438 122.701 120.200 0.106 0.000 2.244 138 E HA 0.103 4.450 4.350 -0.005 0.000 0.260 138 E C -0.828 175.821 176.600 0.081 0.000 0.884 138 E CA -0.545 55.902 56.400 0.078 0.000 0.777 138 E CB 1.494 31.228 29.700 0.057 0.000 1.197 138 E HN 0.547 nan 8.360 nan 0.000 0.416 139 D N 2.187 122.631 120.400 0.073 0.000 3.771 139 D HA -0.305 4.332 4.640 -0.005 0.000 0.145 139 D C 0.622 176.982 176.300 0.100 0.000 0.892 139 D CA 2.304 56.346 54.000 0.070 0.000 1.080 139 D CB -0.129 40.703 40.800 0.053 0.000 0.498 139 D HN 0.680 nan 8.370 nan 0.000 0.499 140 R N 0.085 120.647 120.500 0.103 0.000 2.426 140 R HA 0.436 4.774 4.340 -0.005 0.000 0.263 140 R C -0.053 176.349 176.300 0.170 0.000 0.961 140 R CA -0.140 56.050 56.100 0.150 0.000 1.086 140 R CB 0.155 30.533 30.300 0.130 0.000 1.186 140 R HN 0.052 nan 8.270 nan 0.000 0.537 141 S N 0.742 116.519 115.700 0.130 0.000 2.509 141 S HA 0.493 4.960 4.470 -0.005 0.000 0.297 141 S C -0.549 174.135 174.600 0.139 0.000 1.118 141 S CA -0.613 57.644 58.200 0.096 0.000 1.074 141 S CB 2.351 65.588 63.200 0.062 0.000 1.038 141 S HN 0.047 nan 8.310 nan 0.000 0.498 142 V N 2.980 122.961 119.914 0.112 0.000 2.604 142 V HA 0.539 4.657 4.120 -0.005 0.000 0.305 142 V C -0.104 176.073 176.094 0.138 0.000 1.043 142 V CA -0.876 61.513 62.300 0.149 0.000 0.888 142 V CB 1.810 33.741 31.823 0.179 0.000 0.995 142 V HN 0.782 nan 8.190 nan 0.000 0.429 143 R N 3.831 124.421 120.500 0.150 0.000 2.393 143 R HA 0.763 5.101 4.340 -0.005 0.000 0.310 143 R C -1.454 174.951 176.300 0.175 0.000 0.968 143 R CA -0.488 55.721 56.100 0.181 0.000 0.867 143 R CB 1.090 31.483 30.300 0.155 0.000 1.124 143 R HN 0.716 nan 8.270 nan 0.000 0.450 144 L N 1.983 123.321 121.223 0.192 0.000 2.334 144 L HA 0.441 4.779 4.340 -0.005 0.000 0.273 144 L C -0.168 176.755 176.870 0.087 0.000 1.013 144 L CA -0.862 54.050 54.840 0.119 0.000 0.816 144 L CB 2.126 44.237 42.059 0.086 0.000 1.278 144 L HN 0.556 nan 8.230 nan 0.000 0.431 145 S N 3.071 118.761 115.700 -0.017 0.000 2.423 145 S HA 0.544 5.012 4.470 -0.005 0.000 0.317 145 S C -0.406 174.022 174.600 -0.288 0.000 1.065 145 S CA -0.523 57.537 58.200 -0.232 0.000 1.111 145 S CB -0.045 63.043 63.200 -0.187 0.000 0.968 145 S HN 0.385 nan 8.310 nan 0.000 0.474 146 I N 4.702 124.966 120.570 -0.511 0.000 2.304 146 I HA 0.276 4.443 4.170 -0.005 0.000 0.291 146 I C 0.301 176.079 176.117 -0.565 0.000 1.018 146 I CA -0.438 60.531 61.300 -0.552 0.000 1.260 146 I CB 1.357 38.825 38.000 -0.887 0.000 1.390 146 I HN 0.560 nan 8.210 nan 0.000 0.475 147 Q N 5.757 125.374 119.800 -0.304 0.000 2.257 147 Q HA 0.349 4.686 4.340 -0.005 0.000 0.255 147 Q C -0.378 175.325 176.000 -0.494 0.000 0.920 147 Q CA -0.602 55.028 55.803 -0.289 0.000 0.927 147 Q CB 1.341 29.954 28.738 -0.209 0.000 1.229 147 Q HN 0.759 nan 8.270 nan 0.000 0.433 148 S N 2.531 117.766 115.700 -0.775 0.000 2.578 148 S HA 0.359 4.826 4.470 -0.005 0.000 0.283 148 S C -0.029 173.906 174.600 -1.109 0.000 1.195 148 S CA -0.798 56.325 58.200 -1.795 0.000 1.050 148 S CB 1.705 64.012 63.200 -1.490 0.000 1.012 148 S HN 0.681 nan 8.310 nan 0.000 0.511 149 S N 2.764 117.749 115.700 -1.192 0.000 2.561 149 S HA 0.097 4.565 4.470 -0.005 0.000 0.294 149 S C -1.259 173.170 174.600 -0.286 0.000 1.294 149 S CA -0.760 57.175 58.200 -0.441 0.000 1.055 149 S CB 0.153 63.278 63.200 -0.125 0.000 0.819 149 S HN 0.729 nan 8.310 nan 0.000 0.503 150 P HA 0.093 nan 4.420 nan 0.000 0.245 150 P C -0.038 177.257 177.300 -0.009 0.000 1.212 150 P CA 0.594 63.648 63.100 -0.076 0.000 0.774 150 P CB 0.043 31.712 31.700 -0.053 0.000 0.999 151 K N -0.962 119.439 120.400 0.001 0.000 2.414 151 K HA 0.128 4.446 4.320 -0.005 0.000 0.204 151 K C 0.618 177.262 176.600 0.074 0.000 1.026 151 K CA -0.334 55.987 56.287 0.057 0.000 1.108 151 K CB -0.007 32.535 32.500 0.070 0.000 0.855 151 K HN 0.087 nan 8.250 nan 0.000 0.517 152 C N 1.560 120.886 119.300 0.043 0.000 2.703 152 C HA 0.143 4.600 4.460 -0.005 0.000 0.411 152 C C 0.998 176.053 174.990 0.109 0.000 1.290 152 C CA -0.697 58.399 59.018 0.130 0.000 2.054 152 C CB -0.445 27.336 27.740 0.069 0.000 2.732 152 C HN 0.380 nan 8.230 nan 0.000 0.650 153 I N 4.671 125.378 120.570 0.227 0.000 2.775 153 I HA 0.056 4.223 4.170 -0.005 0.000 0.290 153 I C 0.320 176.561 176.117 0.207 0.000 1.203 153 I CA 0.411 61.842 61.300 0.219 0.000 1.433 153 I CB 0.445 38.614 38.000 0.282 0.000 1.354 153 I HN 0.395 nan 8.210 nan 0.000 0.579 154 V N 6.258 126.153 119.914 -0.031 0.000 2.465 154 V HA 0.823 4.940 4.120 -0.005 0.000 0.279 154 V C 0.575 176.671 176.094 0.004 0.000 1.045 154 V CA 0.197 62.437 62.300 -0.099 0.000 0.938 154 V CB 0.891 32.385 31.823 -0.548 0.000 0.986 154 V HN 1.064 nan 8.190 nan 0.000 0.467 155 G N 4.134 112.973 108.800 0.066 0.000 2.317 155 G HA2 0.272 4.229 3.960 -0.005 0.000 0.293 155 G HA3 0.272 4.229 3.960 -0.005 0.000 0.293 155 G C -1.478 173.396 174.900 -0.043 0.000 1.287 155 G CA -0.886 44.171 45.100 -0.071 0.000 0.850 155 G HN 0.570 nan 8.290 nan 0.000 0.515 156 K N 0.410 120.687 120.400 -0.205 0.000 2.264 156 K HA 0.598 4.915 4.320 -0.005 0.000 0.277 156 K C -0.936 175.480 176.600 -0.308 0.000 1.067 156 K CA -0.408 55.678 56.287 -0.334 0.000 0.900 156 K CB 0.202 32.419 32.500 -0.471 0.000 1.124 156 K HN 0.222 nan 8.250 nan 0.000 0.469 157 F N 2.128 122.000 119.950 -0.130 0.000 2.440 157 F HA 0.453 4.976 4.527 -0.005 0.000 0.328 157 F C 0.760 176.572 175.800 0.020 0.000 1.070 157 F CA -0.836 57.166 58.000 0.004 0.000 1.011 157 F CB 1.067 40.134 39.000 0.111 0.000 1.226 157 F HN 0.252 nan 8.300 nan 0.000 0.491 158 R N 1.774 122.425 120.500 0.252 0.000 2.297 158 R HA 0.481 4.819 4.340 -0.005 0.000 0.308 158 R C -0.493 175.842 176.300 0.059 0.000 1.029 158 R CA -0.525 55.626 56.100 0.086 0.000 0.929 158 R CB 1.319 31.680 30.300 0.103 0.000 1.046 158 R HN 0.654 nan 8.270 nan 0.000 0.461 159 M N 3.451 122.912 119.600 -0.231 0.000 2.336 159 M HA 0.388 4.866 4.480 -0.005 0.000 0.342 159 M C -1.639 174.296 176.300 -0.610 0.000 1.128 159 M CA -0.478 54.602 55.300 -0.366 0.000 1.016 159 M CB 0.988 33.453 32.600 -0.226 0.000 1.665 159 M HN 0.528 nan 8.290 nan 0.000 0.445 160 Y N 2.091 122.277 120.300 -0.189 0.000 2.581 160 Y HA 0.627 5.175 4.550 -0.004 0.000 0.345 160 Y C -0.722 175.139 175.900 -0.063 0.000 1.036 160 Y CA -0.919 57.130 58.100 -0.085 0.000 1.042 160 Y CB 1.982 40.425 38.460 -0.028 0.000 1.289 160 Y HN 0.349 nan 8.280 nan 0.000 0.471 161 V N 1.930 121.946 119.914 0.169 0.000 2.459 161 V HA 0.855 4.972 4.120 -0.005 0.000 0.295 161 V C -0.468 175.763 176.094 0.228 0.000 1.029 161 V CA -0.767 61.657 62.300 0.208 0.000 0.874 161 V CB 1.369 33.292 31.823 0.167 0.000 0.985 161 V HN 0.857 nan 8.190 nan 0.000 0.438 162 A N 4.439 127.435 122.820 0.293 0.000 2.342 162 A HA 0.857 5.174 4.320 -0.005 0.000 0.323 162 A C -0.956 176.824 177.584 0.327 0.000 1.125 162 A CA -0.550 51.578 52.037 0.152 0.000 0.785 162 A CB 1.697 20.648 19.000 -0.081 0.000 1.221 162 A HN 0.639 nan 8.150 nan 0.000 0.463 163 V N 3.068 123.066 119.914 0.140 0.000 2.357 163 V HA 0.257 4.374 4.120 -0.005 0.000 0.284 163 V C -0.566 175.585 176.094 0.095 0.000 1.018 163 V CA -0.542 61.909 62.300 0.252 0.000 0.841 163 V CB 1.036 32.976 31.823 0.195 0.000 0.991 163 V HN 0.877 nan 8.190 nan 0.000 0.437 164 W N 4.024 125.331 121.300 0.011 0.000 2.322 164 W HA 0.465 5.122 4.660 -0.005 0.000 0.307 164 W C 0.612 177.011 176.519 -0.199 0.000 1.220 164 W CA -0.199 57.103 57.345 -0.071 0.000 1.210 164 W CB 1.995 31.432 29.460 -0.038 0.000 1.223 164 W HN 0.665 nan 8.180 nan 0.000 0.511 165 T N 0.453 114.876 114.554 -0.218 0.000 2.883 165 T HA 0.416 4.764 4.350 -0.005 0.000 0.284 165 T C -1.914 172.557 174.700 -0.381 0.000 1.041 165 T CA -1.701 60.060 62.100 -0.565 0.000 1.007 165 T CB 2.082 70.281 68.868 -1.115 0.000 1.220 165 T HN 0.017 nan 8.240 nan 0.000 0.552 166 P HA 0.038 nan 4.420 nan 0.000 0.218 166 P C 0.414 177.373 177.300 -0.568 0.000 1.149 166 P CA 1.048 63.812 63.100 -0.560 0.000 0.817 166 P CB -0.149 31.031 31.700 -0.867 0.000 0.785 167 Y N -1.705 118.529 120.300 -0.110 0.000 2.466 167 Y HA 0.440 4.987 4.550 -0.005 0.000 0.272 167 Y C 1.652 177.487 175.900 -0.108 0.000 1.169 167 Y CA 0.392 58.446 58.100 -0.077 0.000 1.285 167 Y CB -0.189 38.242 38.460 -0.047 0.000 1.078 167 Y HN -0.057 nan 8.280 nan 0.000 0.523 168 G N -0.699 108.051 108.800 -0.083 0.000 2.270 168 G HA2 0.109 4.066 3.960 -0.005 0.000 0.268 168 G HA3 0.109 4.066 3.960 -0.005 0.000 0.268 168 G C -1.897 172.846 174.900 -0.262 0.000 1.312 168 G CA -0.814 44.205 45.100 -0.135 0.000 1.050 168 G HN -0.155 nan 8.290 nan 0.000 0.474 169 V N 0.733 120.448 119.914 -0.333 0.000 2.448 169 V HA 0.676 4.793 4.120 -0.005 0.000 0.295 169 V C -0.052 175.843 176.094 -0.331 0.000 1.025 169 V CA -0.497 61.489 62.300 -0.524 0.000 0.859 169 V CB 1.061 32.386 31.823 -0.830 0.000 0.988 169 V HN 0.677 nan 8.190 nan 0.000 0.431 170 L N 5.314 126.386 121.223 -0.251 0.000 2.334 170 L HA 0.752 5.090 4.340 -0.005 0.000 0.275 170 L C 0.019 176.824 176.870 -0.108 0.000 1.036 170 L CA -0.176 54.583 54.840 -0.135 0.000 0.807 170 L CB 1.346 43.379 42.059 -0.042 0.000 1.231 170 L HN 0.651 nan 8.230 nan 0.000 0.438 171 R N -0.265 120.199 120.500 -0.060 0.000 2.740 171 R HA 0.605 4.942 4.340 -0.005 0.000 0.273 171 R C -0.861 175.471 176.300 0.053 0.000 0.998 171 R CA -0.523 55.568 56.100 -0.015 0.000 0.900 171 R CB 1.810 32.049 30.300 -0.101 0.000 1.223 171 R HN 0.792 nan 8.270 nan 0.000 0.466 172 T N 0.064 114.692 114.554 0.124 0.000 2.813 172 T HA 0.210 4.558 4.350 -0.005 0.000 0.297 172 T C 0.637 175.440 174.700 0.171 0.000 1.036 172 T CA -0.378 61.792 62.100 0.117 0.000 1.044 172 T CB 1.042 69.957 68.868 0.079 0.000 0.993 172 T HN 0.629 nan 8.240 nan 0.000 0.535 173 S N 0.423 116.181 115.700 0.096 0.000 2.669 173 S HA 0.444 4.911 4.470 -0.005 0.000 0.270 173 S C 0.205 174.867 174.600 0.103 0.000 1.225 173 S CA -1.098 57.169 58.200 0.111 0.000 0.991 173 S CB 0.587 63.814 63.200 0.046 0.000 0.987 173 S HN 0.935 nan 8.310 nan 0.000 0.552 174 R N 1.330 121.907 120.500 0.128 0.000 2.523 174 R HA 0.118 4.455 4.340 -0.005 0.000 0.281 174 R C -0.784 175.475 176.300 -0.069 0.000 0.969 174 R CA 0.777 56.899 56.100 0.038 0.000 1.093 174 R CB -0.476 29.860 30.300 0.060 0.000 0.917 174 R HN 0.745 nan 8.270 nan 0.000 0.408 175 N N 5.157 123.761 118.700 -0.159 0.000 2.581 175 N HA 0.311 5.048 4.740 -0.005 0.000 0.279 175 N C -2.460 172.971 175.510 -0.132 0.000 1.124 175 N CA -2.147 50.823 53.050 -0.133 0.000 0.833 175 N CB 1.919 40.313 38.487 -0.156 0.000 1.338 175 N HN 0.308 nan 8.380 nan 0.000 0.533 176 P HA -0.077 nan 4.420 nan 0.000 0.220 176 P C 0.714 177.970 177.300 -0.073 0.000 1.148 176 P CA 1.046 64.099 63.100 -0.078 0.000 0.803 176 P CB 0.512 32.181 31.700 -0.052 0.000 0.782 177 E N -0.593 119.564 120.200 -0.072 0.000 2.204 177 E HA -0.109 4.238 4.350 -0.005 0.000 0.195 177 E C 1.549 178.109 176.600 -0.067 0.000 0.990 177 E CA 1.658 58.020 56.400 -0.063 0.000 0.821 177 E CB -1.477 28.181 29.700 -0.069 0.000 0.750 177 E HN 0.409 nan 8.360 nan 0.000 0.477 178 T N -0.867 113.634 114.554 -0.089 0.000 3.188 178 T HA 0.072 4.420 4.350 -0.005 0.000 0.250 178 T C 0.207 174.879 174.700 -0.046 0.000 1.077 178 T CA -0.487 61.570 62.100 -0.071 0.000 0.967 178 T CB -0.007 68.799 68.868 -0.104 0.000 1.006 178 T HN -0.236 nan 8.240 nan 0.000 0.552 179 D N 2.900 123.258 120.400 -0.070 0.000 2.424 179 D HA 0.258 4.895 4.640 -0.005 0.000 0.244 179 D C -0.233 176.019 176.300 -0.080 0.000 1.134 179 D CA 0.528 54.478 54.000 -0.084 0.000 0.881 179 D CB 1.080 41.789 40.800 -0.151 0.000 1.191 179 D HN 0.172 nan 8.370 nan 0.000 0.445 180 T N 2.643 117.176 114.554 -0.036 0.000 2.815 180 T HA 0.247 4.594 4.350 -0.005 0.000 0.289 180 T C -0.355 174.322 174.700 -0.038 0.000 1.000 180 T CA -0.541 61.541 62.100 -0.030 0.000 0.958 180 T CB 0.178 69.060 68.868 0.023 0.000 0.944 180 T HN 0.089 nan 8.240 nan 0.000 0.442 181 Y N 2.545 122.818 120.300 -0.045 0.000 2.359 181 Y HA 0.453 5.001 4.550 -0.004 0.000 0.330 181 Y C 0.640 176.489 175.900 -0.085 0.000 1.143 181 Y CA -0.787 57.301 58.100 -0.021 0.000 1.318 181 Y CB 0.418 38.806 38.460 -0.120 0.000 1.234 181 Y HN 0.483 nan 8.280 nan 0.000 0.522 182 I N 5.109 125.774 120.570 0.159 0.000 2.362 182 I HA 0.350 4.517 4.170 -0.005 0.000 0.289 182 I C -0.679 175.440 176.117 0.004 0.000 0.994 182 I CA -0.371 60.919 61.300 -0.017 0.000 1.158 182 I CB 0.967 38.895 38.000 -0.119 0.000 1.315 182 I HN 0.404 nan 8.210 nan 0.000 0.451 183 L N 4.717 125.922 121.223 -0.031 0.000 2.286 183 L HA 0.586 4.923 4.340 -0.005 0.000 0.265 183 L C -0.345 176.505 176.870 -0.034 0.000 1.012 183 L CA -0.931 53.893 54.840 -0.026 0.000 0.818 183 L CB 1.066 43.170 42.059 0.075 0.000 1.337 183 L HN 0.269 nan 8.230 nan 0.000 0.438 184 F N 0.596 120.611 119.950 0.109 0.000 2.633 184 F HA 0.007 4.531 4.527 -0.006 0.000 0.338 184 F C 0.821 176.727 175.800 0.176 0.000 1.206 184 F CA 0.505 58.577 58.000 0.120 0.000 1.378 184 F CB 0.069 39.126 39.000 0.096 0.000 1.116 184 F HN 0.407 nan 8.300 nan 0.000 0.615 185 N N 1.664 120.593 118.700 0.381 0.000 2.640 185 N HA 0.315 5.052 4.740 -0.005 0.000 0.262 185 N C -2.400 173.311 175.510 0.334 0.000 1.174 185 N CA -2.010 51.268 53.050 0.380 0.000 0.791 185 N CB 1.220 39.875 38.487 0.280 0.000 1.279 185 N HN -0.021 nan 8.380 nan 0.000 0.535 186 P HA -0.010 nan 4.420 nan 0.000 0.223 186 P C 0.866 178.114 177.300 -0.087 0.000 1.144 186 P CA 0.944 63.995 63.100 -0.082 0.000 0.783 186 P CB 0.110 31.498 31.700 -0.519 0.000 0.771 187 W N -2.016 119.372 121.300 0.146 0.000 3.003 187 W HA 0.161 4.817 4.660 -0.006 0.000 0.257 187 W C 0.457 177.096 176.519 0.200 0.000 1.308 187 W CA -0.266 57.186 57.345 0.179 0.000 1.529 187 W CB -0.473 29.055 29.460 0.113 0.000 1.115 187 W HN -0.092 nan 8.180 nan 0.000 0.659 188 C N 3.261 122.759 119.300 0.330 0.000 2.325 188 C HA 0.143 4.601 4.460 -0.005 0.000 0.347 188 C C 1.865 176.757 174.990 -0.162 0.000 1.263 188 C CA -0.163 58.905 59.018 0.084 0.000 1.806 188 C CB 0.026 27.806 27.740 0.066 0.000 2.405 188 C HN 0.522 nan 8.230 nan 0.000 0.537 189 E N 2.233 122.114 120.200 -0.531 0.000 2.358 189 E HA -0.101 4.246 4.350 -0.005 0.000 0.195 189 E C 0.528 176.819 176.600 -0.515 0.000 1.010 189 E CA 1.034 56.694 56.400 -1.234 0.000 0.856 189 E CB -0.016 29.008 29.700 -1.127 0.000 0.795 189 E HN 0.752 nan 8.360 nan 0.000 0.504 190 D N 1.169 121.427 120.400 -0.237 0.000 2.340 190 D HA -0.001 4.636 4.640 -0.005 0.000 0.217 190 D C -0.260 176.024 176.300 -0.027 0.000 1.081 190 D CA 0.147 54.081 54.000 -0.110 0.000 0.842 190 D CB 0.169 40.914 40.800 -0.090 0.000 0.934 190 D HN 0.186 nan 8.370 nan 0.000 0.511 191 D N 0.359 120.769 120.400 0.016 0.000 2.255 191 D HA 0.206 4.843 4.640 -0.005 0.000 0.249 191 D C 1.235 177.615 176.300 0.134 0.000 1.078 191 D CA -0.389 53.670 54.000 0.099 0.000 0.896 191 D CB 1.860 42.753 40.800 0.155 0.000 1.194 191 D HN -0.066 nan 8.370 nan 0.000 0.429 192 A N 3.228 126.126 122.820 0.129 0.000 1.997 192 A HA -0.165 4.152 4.320 -0.005 0.000 0.221 192 A C 1.968 179.615 177.584 0.106 0.000 1.172 192 A CA 1.345 53.441 52.037 0.099 0.000 0.645 192 A CB -0.338 18.716 19.000 0.090 0.000 0.813 192 A HN 0.457 nan 8.150 nan 0.000 0.454 193 V N -0.655 119.357 119.914 0.163 0.000 3.577 193 V HA 0.060 4.178 4.120 -0.005 0.000 0.294 193 V C 0.476 176.726 176.094 0.260 0.000 1.317 193 V CA -0.374 62.031 62.300 0.175 0.000 1.169 193 V CB -1.236 30.665 31.823 0.130 0.000 1.011 193 V HN 0.561 nan 8.190 nan 0.000 0.426 194 Y N 1.317 121.689 120.300 0.121 0.000 2.802 194 Y HA 0.100 4.647 4.550 -0.005 0.000 0.333 194 Y C -0.077 175.895 175.900 0.121 0.000 1.244 194 Y CA 0.277 58.423 58.100 0.078 0.000 1.558 194 Y CB 0.144 38.644 38.460 0.067 0.000 1.233 194 Y HN 0.115 nan 8.280 nan 0.000 0.547 195 L N 7.535 128.422 121.223 -0.561 0.000 2.345 195 L HA 0.247 4.584 4.340 -0.005 0.000 0.274 195 L C -0.607 175.660 176.870 -1.006 0.000 0.999 195 L CA -0.768 53.556 54.840 -0.860 0.000 0.849 195 L CB 0.887 42.402 42.059 -0.906 0.000 1.220 195 L HN 0.747 nan 8.230 nan 0.000 0.422 196 D N 2.434 122.250 120.400 -0.972 0.000 3.134 196 D HA 0.078 4.716 4.640 -0.005 0.000 0.248 196 D C -0.176 175.896 176.300 -0.379 0.000 1.273 196 D CA -0.146 53.427 54.000 -0.711 0.000 0.904 196 D CB 0.068 40.568 40.800 -0.501 0.000 1.089 196 D HN 0.225 nan 8.370 nan 0.000 0.478 197 N N 1.125 119.592 118.700 -0.388 0.000 2.549 197 N HA 0.005 4.742 4.740 -0.005 0.000 0.290 197 N C 0.259 175.615 175.510 -0.256 0.000 1.122 197 N CA -0.232 52.660 53.050 -0.263 0.000 0.885 197 N CB 1.756 40.089 38.487 -0.257 0.000 1.455 197 N HN 0.000 nan 8.380 nan 0.000 0.521 198 E N 3.260 123.374 120.200 -0.143 0.000 2.118 198 E HA -0.135 4.212 4.350 -0.005 0.000 0.195 198 E C 1.144 177.676 176.600 -0.115 0.000 0.992 198 E CA 1.830 58.177 56.400 -0.088 0.000 0.804 198 E CB 0.288 30.004 29.700 0.026 0.000 0.741 198 E HN 0.607 nan 8.360 nan 0.000 0.458 199 K N -0.164 120.163 120.400 -0.122 0.000 2.097 199 K HA -0.087 4.230 4.320 -0.005 0.000 0.205 199 K C 2.148 178.611 176.600 -0.227 0.000 1.050 199 K CA 1.393 57.600 56.287 -0.133 0.000 0.938 199 K CB -0.012 32.423 32.500 -0.109 0.000 0.718 199 K HN 0.168 nan 8.250 nan 0.000 0.442 200 E N 0.078 120.117 120.200 -0.269 0.000 2.077 200 E HA -0.170 4.177 4.350 -0.005 0.000 0.193 200 E C 2.002 178.384 176.600 -0.363 0.000 0.989 200 E CA 0.995 57.167 56.400 -0.380 0.000 0.800 200 E CB 0.065 29.608 29.700 -0.262 0.000 0.746 200 E HN 0.191 nan 8.360 nan 0.000 0.452 201 R N 0.801 121.079 120.500 -0.369 0.000 2.096 201 R HA -0.183 4.154 4.340 -0.005 0.000 0.240 201 R C 2.260 178.438 176.300 -0.202 0.000 1.139 201 R CA 1.313 57.157 56.100 -0.427 0.000 0.952 201 R CB -0.241 29.595 30.300 -0.773 0.000 0.854 201 R HN 0.214 nan 8.270 nan 0.000 0.436 202 E N 0.337 120.470 120.200 -0.111 0.000 2.077 202 E HA -0.213 4.135 4.350 -0.005 0.000 0.193 202 E C 1.940 178.514 176.600 -0.044 0.000 0.989 202 E CA 1.141 57.535 56.400 -0.010 0.000 0.800 202 E CB -0.007 29.689 29.700 -0.007 0.000 0.746 202 E HN 0.245 nan 8.360 nan 0.000 0.452 203 E N 0.251 120.335 120.200 -0.192 0.000 2.028 203 E HA -0.148 4.199 4.350 -0.005 0.000 0.190 203 E C 1.691 178.245 176.600 -0.076 0.000 0.984 203 E CA 1.216 57.478 56.400 -0.230 0.000 0.800 203 E CB -0.319 29.054 29.700 -0.546 0.000 0.758 203 E HN 0.232 nan 8.360 nan 0.000 0.448 204 Y N -0.764 119.540 120.300 0.006 0.000 2.519 204 Y HA 0.111 4.658 4.550 -0.005 0.000 0.287 204 Y C 1.952 177.849 175.900 -0.005 0.000 1.128 204 Y CA 0.400 58.516 58.100 0.026 0.000 1.282 204 Y CB 0.197 38.692 38.460 0.059 0.000 1.027 204 Y HN -0.022 nan 8.280 nan 0.000 0.551 205 V N -1.740 118.247 119.914 0.121 0.000 2.911 205 V HA -0.004 4.113 4.120 -0.005 0.000 0.237 205 V C 1.728 177.974 176.094 0.253 0.000 1.156 205 V CA 0.596 62.978 62.300 0.136 0.000 1.180 205 V CB -0.104 31.765 31.823 0.076 0.000 0.932 205 V HN 0.129 nan 8.190 nan 0.000 0.483 206 L N 0.089 121.474 121.223 0.270 0.000 2.463 206 L HA 0.233 4.570 4.340 -0.005 0.000 0.219 206 L C 0.957 178.039 176.870 0.352 0.000 1.088 206 L CA 0.126 55.198 54.840 0.386 0.000 0.849 206 L CB -0.129 42.084 42.059 0.257 0.000 1.012 206 L HN 0.301 nan 8.230 nan 0.000 0.468 207 N N 1.908 120.738 118.700 0.215 0.000 2.452 207 N HA -0.064 4.673 4.740 -0.005 0.000 0.266 207 N C 0.010 175.679 175.510 0.266 0.000 1.209 207 N CA 0.188 53.353 53.050 0.191 0.000 0.929 207 N CB 0.833 39.386 38.487 0.109 0.000 1.063 207 N HN 0.161 nan 8.380 nan 0.000 0.472 208 D N 3.149 123.699 120.400 0.249 0.000 2.388 208 D HA 0.144 4.782 4.640 -0.005 0.000 0.221 208 D C 0.054 176.443 176.300 0.149 0.000 1.133 208 D CA 0.075 54.223 54.000 0.246 0.000 0.831 208 D CB -0.225 40.706 40.800 0.218 0.000 0.962 208 D HN 0.397 nan 8.370 nan 0.000 0.502 209 I N 0.196 120.807 120.570 0.068 0.000 2.512 209 I HA 0.558 4.725 4.170 -0.005 0.000 0.287 209 I C 0.204 176.207 176.117 -0.190 0.000 1.069 209 I CA -1.028 60.191 61.300 -0.137 0.000 1.056 209 I CB 2.374 40.313 38.000 -0.103 0.000 1.229 209 I HN -0.026 nan 8.210 nan 0.000 0.429 210 G N 4.170 112.675 108.800 -0.491 0.000 2.644 210 G HA2 0.735 4.692 3.960 -0.005 0.000 0.307 210 G HA3 0.735 4.692 3.960 -0.005 0.000 0.307 210 G C -1.041 173.756 174.900 -0.172 0.000 1.250 210 G CA -0.675 44.257 45.100 -0.280 0.000 0.996 210 G HN 0.505 nan 8.290 nan 0.000 0.489 211 V N -1.042 118.796 119.914 -0.128 0.000 2.495 211 V HA 0.691 4.809 4.120 -0.005 0.000 0.298 211 V C -0.716 175.146 176.094 -0.387 0.000 1.031 211 V CA -1.153 60.976 62.300 -0.285 0.000 0.871 211 V CB 1.387 32.980 31.823 -0.383 0.000 0.988 211 V HN 0.499 nan 8.190 nan 0.000 0.432 212 I N 5.303 125.621 120.570 -0.420 0.000 2.353 212 I HA 0.472 4.639 4.170 -0.005 0.000 0.293 212 I C -0.169 175.586 176.117 -0.603 0.000 0.992 212 I CA -0.699 60.358 61.300 -0.405 0.000 1.268 212 I CB 0.931 38.747 38.000 -0.308 0.000 1.387 212 I HN 0.581 nan 8.210 nan 0.000 0.478 213 F N 7.245 127.125 119.950 -0.117 0.000 2.411 213 F HA 0.423 4.949 4.527 -0.002 0.000 0.350 213 F C 0.424 176.061 175.800 -0.272 0.000 1.114 213 F CA -0.249 57.670 58.000 -0.136 0.000 1.135 213 F CB 0.501 39.443 39.000 -0.096 0.000 1.120 213 F HN 0.478 nan 8.300 nan 0.000 0.495 214 Y N 0.380 120.447 120.300 -0.389 0.000 3.246 214 Y HA 0.896 5.444 4.550 -0.004 0.000 0.281 214 Y C 0.687 176.360 175.900 -0.378 0.000 1.948 214 Y CA -1.314 56.233 58.100 -0.922 0.000 1.035 214 Y CB 0.037 37.815 38.460 -1.137 0.000 1.620 214 Y HN 0.853 nan 8.280 nan 0.000 0.500 215 G N 1.086 109.670 108.800 -0.360 0.000 2.536 215 G HA2 -0.003 3.954 3.960 -0.005 0.000 0.280 215 G HA3 -0.003 3.954 3.960 -0.005 0.000 0.280 215 G C -0.566 174.399 174.900 0.107 0.000 1.152 215 G CA 0.842 45.864 45.100 -0.129 0.000 0.970 215 G HN 1.355 nan 8.290 nan 0.000 0.549 216 E N -2.174 118.008 120.200 -0.031 0.000 2.445 216 E HA 0.687 5.034 4.350 -0.005 0.000 0.273 216 E C 0.792 177.152 176.600 -0.401 0.000 0.961 216 E CA -0.078 56.304 56.400 -0.030 0.000 0.807 216 E CB 1.234 30.948 29.700 0.023 0.000 1.362 216 E HN 1.400 nan 8.360 nan 0.000 0.453 217 V N 0.472 120.041 119.914 -0.575 0.000 2.594 217 V HA -0.161 3.956 4.120 -0.005 0.000 0.253 217 V C 0.350 176.142 176.094 -0.505 0.000 1.069 217 V CA 2.325 64.126 62.300 -0.832 0.000 1.082 217 V CB -0.839 30.607 31.823 -0.628 0.000 0.680 217 V HN 0.675 nan 8.190 nan 0.000 0.469 218 N N 0.045 118.568 118.700 -0.296 0.000 2.214 218 N HA 0.149 4.887 4.740 -0.005 0.000 0.214 218 N C -0.501 174.899 175.510 -0.183 0.000 1.132 218 N CA 0.479 53.408 53.050 -0.201 0.000 0.856 218 N CB 0.460 38.872 38.487 -0.124 0.000 1.020 218 N HN 0.446 nan 8.380 nan 0.000 0.509 219 D N 0.805 121.071 120.400 -0.223 0.000 3.250 219 D HA 0.114 4.752 4.640 -0.005 0.000 0.252 219 D C -0.702 175.457 176.300 -0.235 0.000 1.342 219 D CA -0.293 53.596 54.000 -0.185 0.000 0.807 219 D CB -0.162 40.557 40.800 -0.136 0.000 1.449 219 D HN -0.014 nan 8.370 nan 0.000 0.610 220 I N 1.441 121.851 120.570 -0.266 0.000 2.836 220 I HA 0.151 4.318 4.170 -0.005 0.000 0.285 220 I C 0.792 176.745 176.117 -0.272 0.000 1.174 220 I CA 0.088 61.232 61.300 -0.260 0.000 1.405 220 I CB 0.553 38.424 38.000 -0.216 0.000 1.385 220 I HN -0.008 nan 8.210 nan 0.000 0.594 221 K N 3.096 123.243 120.400 -0.422 0.000 2.444 221 K HA 0.669 4.986 4.320 -0.005 0.000 0.252 221 K C -1.013 175.251 176.600 -0.559 0.000 0.993 221 K CA -0.781 55.088 56.287 -0.698 0.000 0.847 221 K CB 2.181 33.837 32.500 -1.406 0.000 1.340 221 K HN 0.471 nan 8.250 nan 0.000 0.446 222 T N 1.198 115.559 114.554 -0.321 0.000 3.395 222 T HA 0.356 4.703 4.350 -0.005 0.000 0.330 222 T C -1.271 173.362 174.700 -0.112 0.000 1.076 222 T CA -0.726 61.226 62.100 -0.247 0.000 1.070 222 T CB 1.603 70.338 68.868 -0.222 0.000 1.119 222 T HN 0.438 nan 8.240 nan 0.000 0.462 223 R N 1.863 122.240 120.500 -0.206 0.000 2.836 223 R HA 0.786 5.124 4.340 -0.005 0.000 0.269 223 R C -1.273 174.857 176.300 -0.283 0.000 1.010 223 R CA -0.576 55.349 56.100 -0.291 0.000 0.930 223 R CB 2.217 32.139 30.300 -0.629 0.000 1.218 223 R HN 0.597 nan 8.270 nan 0.000 0.473 224 S N 1.008 116.576 115.700 -0.221 0.000 2.578 224 S HA 0.683 5.151 4.470 -0.005 0.000 0.301 224 S C -1.732 172.829 174.600 -0.065 0.000 1.091 224 S CA -0.609 57.505 58.200 -0.144 0.000 1.032 224 S CB 0.911 64.043 63.200 -0.113 0.000 1.064 224 S HN 0.460 nan 8.310 nan 0.000 0.508 225 W N 2.624 123.739 121.300 -0.308 0.000 3.042 225 W HA 0.357 5.021 4.660 0.008 0.000 0.337 225 W C -0.718 175.547 176.519 -0.424 0.000 1.086 225 W CA -0.531 56.627 57.345 -0.312 0.000 1.236 225 W CB 1.752 31.030 29.460 -0.303 0.000 1.381 225 W HN 0.567 nan 8.180 nan 0.000 0.472 226 S N 4.863 120.242 115.700 -0.534 0.000 2.503 226 S HA 0.037 4.504 4.470 -0.005 0.000 0.317 226 S C 0.839 175.343 174.600 -0.159 0.000 1.162 226 S CA -0.021 57.972 58.200 -0.345 0.000 1.124 226 S CB -0.086 62.951 63.200 -0.271 0.000 1.207 226 S HN 0.391 nan 8.310 nan 0.000 0.538 227 Y N 3.636 124.045 120.300 0.181 0.000 2.181 227 Y HA 0.055 4.601 4.550 -0.006 0.000 0.288 227 Y C 2.257 178.189 175.900 0.054 0.000 1.146 227 Y CA 0.467 58.675 58.100 0.181 0.000 1.164 227 Y CB -1.048 37.487 38.460 0.126 0.000 0.982 227 Y HN 0.832 nan 8.280 nan 0.000 0.515 228 G N 1.103 109.996 108.800 0.154 0.000 2.356 228 G HA2 -0.333 3.624 3.960 -0.005 0.000 0.296 228 G HA3 -0.333 3.624 3.960 -0.005 0.000 0.296 228 G C 1.111 176.014 174.900 0.005 0.000 1.022 228 G CA 0.689 45.840 45.100 0.085 0.000 0.961 228 G HN 0.531 nan 8.290 nan 0.000 0.510 229 Q N -0.914 118.773 119.800 -0.189 0.000 2.369 229 Q HA 0.013 4.350 4.340 -0.005 0.000 0.206 229 Q C 1.671 177.361 176.000 -0.517 0.000 0.963 229 Q CA 1.333 56.903 55.803 -0.389 0.000 0.894 229 Q CB -0.262 28.130 28.738 -0.576 0.000 0.965 229 Q HN 0.622 nan 8.270 nan 0.000 0.475 230 F N 1.530 121.438 119.950 -0.070 0.000 2.727 230 F HA 0.277 4.797 4.527 -0.011 0.000 0.302 230 F C 0.914 176.740 175.800 0.042 0.000 1.097 230 F CA -0.407 57.490 58.000 -0.172 0.000 1.330 230 F CB 0.117 38.960 39.000 -0.261 0.000 1.084 230 F HN -0.120 nan 8.300 nan 0.000 0.578 231 E N 1.022 121.347 120.200 0.209 0.000 2.392 231 E HA -0.044 4.303 4.350 -0.005 0.000 0.256 231 E C -0.464 176.231 176.600 0.157 0.000 1.145 231 E CA -0.175 56.363 56.400 0.231 0.000 0.929 231 E CB 0.431 30.271 29.700 0.234 0.000 0.998 231 E HN 0.103 nan 8.360 nan 0.000 0.442 232 D N -0.939 119.519 120.400 0.097 0.000 2.458 232 D HA 0.189 4.826 4.640 -0.005 0.000 0.243 232 D C 1.009 177.344 176.300 0.058 0.000 1.146 232 D CA 1.440 55.469 54.000 0.049 0.000 0.877 232 D CB 0.229 41.010 40.800 -0.033 0.000 1.176 232 D HN 0.519 nan 8.370 nan 0.000 0.461 233 G N 3.528 112.366 108.800 0.064 0.000 2.268 233 G HA2 -0.278 3.680 3.960 -0.005 0.000 0.240 233 G HA3 -0.278 3.680 3.960 -0.005 0.000 0.240 233 G C 1.138 176.089 174.900 0.084 0.000 1.010 233 G CA 0.266 45.402 45.100 0.060 0.000 0.618 233 G HN 0.497 nan 8.290 nan 0.000 0.516 234 I N 0.725 121.357 120.570 0.102 0.000 2.202 234 I HA -0.034 4.134 4.170 -0.005 0.000 0.242 234 I C 2.745 178.937 176.117 0.126 0.000 1.091 234 I CA 1.899 63.270 61.300 0.117 0.000 1.368 234 I CB -1.210 36.853 38.000 0.105 0.000 1.058 234 I HN 0.363 nan 8.210 nan 0.000 0.410 235 L N 1.399 122.692 121.223 0.116 0.000 2.012 235 L HA -0.213 4.124 4.340 -0.005 0.000 0.210 235 L C 2.009 178.943 176.870 0.107 0.000 1.073 235 L CA 2.032 56.914 54.840 0.071 0.000 0.748 235 L CB -1.018 40.985 42.059 -0.094 0.000 0.891 235 L HN 0.146 nan 8.230 nan 0.000 0.431 236 D N -0.961 119.516 120.400 0.130 0.000 2.178 236 D HA -0.150 4.487 4.640 -0.005 0.000 0.201 236 D C 2.029 178.449 176.300 0.200 0.000 0.980 236 D CA 1.690 55.800 54.000 0.184 0.000 0.842 236 D CB -0.064 40.827 40.800 0.151 0.000 0.948 236 D HN 0.429 nan 8.370 nan 0.000 0.472 237 T N -0.329 114.338 114.554 0.188 0.000 2.857 237 T HA -0.096 4.251 4.350 -0.005 0.000 0.266 237 T C 2.199 177.124 174.700 0.374 0.000 1.048 237 T CA 0.616 62.874 62.100 0.264 0.000 1.139 237 T CB -0.276 68.722 68.868 0.217 0.000 0.874 237 T HN 0.243 nan 8.240 nan 0.000 0.455 238 C N 1.235 120.713 119.300 0.298 0.000 2.425 238 C HA 0.088 4.545 4.460 -0.005 0.000 0.277 238 C C 2.650 177.840 174.990 0.332 0.000 1.280 238 C CA 0.281 59.504 59.018 0.341 0.000 1.744 238 C CB -1.364 26.435 27.740 0.099 0.000 1.989 238 C HN 0.525 nan 8.230 nan 0.000 0.491 239 L N -0.493 120.881 121.223 0.250 0.000 2.056 239 L HA -0.167 4.171 4.340 -0.005 0.000 0.207 239 L C 2.553 179.572 176.870 0.250 0.000 1.078 239 L CA 1.777 56.749 54.840 0.219 0.000 0.749 239 L CB -0.988 41.177 42.059 0.177 0.000 0.901 239 L HN 0.354 nan 8.230 nan 0.000 0.433 240 Y N 0.736 121.135 120.300 0.166 0.000 2.165 240 Y HA -0.238 4.313 4.550 0.001 0.000 0.286 240 Y C 2.409 178.435 175.900 0.209 0.000 1.155 240 Y CA 1.517 59.707 58.100 0.149 0.000 1.164 240 Y CB -0.331 38.203 38.460 0.123 0.000 0.978 240 Y HN -0.173 nan 8.280 nan 0.000 0.513 241 V N 0.686 120.775 119.914 0.292 0.000 2.255 241 V HA -0.417 3.700 4.120 -0.005 0.000 0.247 241 V C 2.420 178.570 176.094 0.093 0.000 1.051 241 V CA 2.558 64.989 62.300 0.217 0.000 1.018 241 V CB -0.687 31.303 31.823 0.279 0.000 0.641 241 V HN 0.492 nan 8.190 nan 0.000 0.445 242 M N -0.368 119.349 119.600 0.195 0.000 2.108 242 M HA -0.218 4.259 4.480 -0.005 0.000 0.261 242 M C 1.925 178.249 176.300 0.041 0.000 1.066 242 M CA 1.992 57.377 55.300 0.141 0.000 1.107 242 M CB -0.716 32.014 32.600 0.216 0.000 1.356 242 M HN 0.324 nan 8.290 nan 0.000 0.406 243 D N -0.086 120.315 120.400 0.002 0.000 2.149 243 D HA -0.126 4.511 4.640 -0.005 0.000 0.198 243 D C 2.099 178.327 176.300 -0.120 0.000 0.990 243 D CA 1.033 55.000 54.000 -0.054 0.000 0.839 243 D CB -0.288 40.480 40.800 -0.053 0.000 0.948 243 D HN 0.162 nan 8.370 nan 0.000 0.460 244 R N 0.371 120.742 120.500 -0.215 0.000 2.193 244 R HA 0.161 4.499 4.340 -0.005 0.000 0.213 244 R C 1.813 178.064 176.300 -0.082 0.000 1.055 244 R CA 0.597 56.577 56.100 -0.199 0.000 0.995 244 R CB -0.574 29.581 30.300 -0.241 0.000 0.893 244 R HN 0.123 nan 8.270 nan 0.000 0.459 245 A N 0.671 123.456 122.820 -0.058 0.000 2.206 245 A HA -0.050 4.267 4.320 -0.005 0.000 0.211 245 A C 0.434 178.001 177.584 -0.028 0.000 1.158 245 A CA 0.088 52.100 52.037 -0.042 0.000 0.761 245 A CB -0.128 18.847 19.000 -0.042 0.000 0.801 245 A HN 0.386 nan 8.150 nan 0.000 0.473 246 Q N -1.834 117.951 119.800 -0.025 0.000 2.453 246 Q HA -0.214 4.124 4.340 -0.005 0.000 0.294 246 Q C 0.038 176.041 176.000 0.004 0.000 1.295 246 Q CA 0.806 56.603 55.803 -0.009 0.000 0.853 246 Q CB -1.637 27.096 28.738 -0.009 0.000 1.193 246 Q HN 0.833 nan 8.270 nan 0.000 0.461 247 M N 1.386 120.995 119.600 0.015 0.000 2.227 247 M HA 0.076 4.553 4.480 -0.005 0.000 0.349 247 M C 0.118 176.442 176.300 0.039 0.000 1.443 247 M CA -0.020 55.299 55.300 0.031 0.000 1.110 247 M CB 0.484 33.119 32.600 0.059 0.000 1.773 247 M HN 0.108 nan 8.290 nan 0.000 0.463 248 D N 4.283 124.705 120.400 0.037 0.000 2.581 248 D HA -0.082 4.555 4.640 -0.005 0.000 0.238 248 D C 0.900 177.232 176.300 0.054 0.000 1.145 248 D CA 0.456 54.482 54.000 0.044 0.000 0.866 248 D CB 0.498 41.322 40.800 0.041 0.000 1.151 248 D HN 0.712 nan 8.370 nan 0.000 0.500 249 L N 2.836 124.088 121.223 0.049 0.000 2.081 249 L HA -0.215 4.122 4.340 -0.005 0.000 0.212 249 L C 2.346 179.255 176.870 0.065 0.000 1.080 249 L CA 1.045 55.910 54.840 0.040 0.000 0.754 249 L CB -0.352 41.717 42.059 0.017 0.000 0.893 249 L HN 0.405 nan 8.230 nan 0.000 0.433 250 S N -0.320 115.424 115.700 0.074 0.000 2.469 250 S HA -0.098 4.369 4.470 -0.005 0.000 0.238 250 S C 1.710 176.367 174.600 0.095 0.000 0.998 250 S CA 1.074 59.326 58.200 0.088 0.000 0.957 250 S CB -0.242 63.005 63.200 0.078 0.000 0.764 250 S HN 0.633 nan 8.310 nan 0.000 0.514 251 G N 0.561 109.417 108.800 0.093 0.000 3.088 251 G HA2 0.057 4.014 3.960 -0.005 0.000 0.217 251 G HA3 0.057 4.014 3.960 -0.005 0.000 0.217 251 G C 1.084 176.069 174.900 0.142 0.000 1.159 251 G CA -0.456 44.709 45.100 0.109 0.000 0.760 251 G HN 0.369 nan 8.290 nan 0.000 0.550 252 R N 0.314 120.895 120.500 0.136 0.000 2.313 252 R HA 0.083 4.420 4.340 -0.005 0.000 0.199 252 R C 2.048 178.464 176.300 0.194 0.000 0.958 252 R CA 0.471 56.673 56.100 0.170 0.000 1.047 252 R CB 0.344 30.717 30.300 0.122 0.000 0.955 252 R HN 0.231 nan 8.270 nan 0.000 0.481 253 G N 0.448 109.351 108.800 0.171 0.000 3.088 253 G HA2 -0.099 3.859 3.960 -0.005 0.000 0.217 253 G HA3 -0.099 3.859 3.960 -0.005 0.000 0.217 253 G C 0.048 175.134 174.900 0.310 0.000 1.159 253 G CA -0.301 44.890 45.100 0.153 0.000 0.760 253 G HN 0.071 nan 8.290 nan 0.000 0.550 254 N N 1.077 119.957 118.700 0.300 0.000 2.457 254 N HA 0.256 4.993 4.740 -0.005 0.000 0.250 254 N C -1.311 174.348 175.510 0.248 0.000 0.982 254 N CA -2.414 50.789 53.050 0.254 0.000 0.941 254 N CB 2.600 41.190 38.487 0.171 0.000 1.120 254 N HN -0.113 nan 8.380 nan 0.000 0.505 255 P HA -0.100 nan 4.420 nan 0.000 0.220 255 P C 1.419 178.718 177.300 -0.002 0.000 1.148 255 P CA 0.971 64.001 63.100 -0.117 0.000 0.803 255 P CB 0.570 32.098 31.700 -0.287 0.000 0.782 256 I N 0.164 120.772 120.570 0.064 0.000 2.163 256 I HA -0.208 3.960 4.170 -0.005 0.000 0.240 256 I C 2.815 178.980 176.117 0.080 0.000 1.081 256 I CA 1.591 62.951 61.300 0.100 0.000 1.353 256 I CB -0.621 37.468 38.000 0.150 0.000 1.054 256 I HN -0.063 nan 8.210 nan 0.000 0.407 257 K N 0.960 121.416 120.400 0.093 0.000 2.062 257 K HA -0.097 4.220 4.320 -0.005 0.000 0.205 257 K C 2.151 178.805 176.600 0.090 0.000 1.051 257 K CA 0.962 57.286 56.287 0.061 0.000 0.941 257 K CB 0.066 32.615 32.500 0.081 0.000 0.719 257 K HN 0.040 nan 8.250 nan 0.000 0.440 258 V N 1.182 121.195 119.914 0.166 0.000 2.278 258 V HA -0.309 3.808 4.120 -0.005 0.000 0.251 258 V C 2.117 178.389 176.094 0.298 0.000 1.062 258 V CA 2.329 64.783 62.300 0.257 0.000 1.038 258 V CB -0.487 31.503 31.823 0.279 0.000 0.646 258 V HN 0.364 nan 8.190 nan 0.000 0.447 259 S N -0.763 115.074 115.700 0.228 0.000 2.406 259 S HA -0.164 4.303 4.470 -0.005 0.000 0.228 259 S C 2.037 176.729 174.600 0.154 0.000 1.020 259 S CA 1.336 59.746 58.200 0.350 0.000 0.965 259 S CB -0.311 63.053 63.200 0.274 0.000 0.798 259 S HN 0.501 nan 8.310 nan 0.000 0.488 260 R N 1.588 122.076 120.500 -0.020 0.000 2.073 260 R HA 0.057 4.394 4.340 -0.005 0.000 0.229 260 R C 1.935 178.115 176.300 -0.200 0.000 1.120 260 R CA 1.307 57.277 56.100 -0.216 0.000 0.967 260 R CB -0.876 29.198 30.300 -0.377 0.000 0.862 260 R HN 0.258 nan 8.270 nan 0.000 0.436 261 V N -0.321 119.528 119.914 -0.108 0.000 2.407 261 V HA 0.014 4.131 4.120 -0.005 0.000 0.245 261 V C 2.191 178.193 176.094 -0.154 0.000 1.041 261 V CA 1.920 64.154 62.300 -0.109 0.000 1.040 261 V CB -0.736 31.068 31.823 -0.031 0.000 0.671 261 V HN 0.609 nan 8.190 nan 0.000 0.455 262 G N 0.273 109.013 108.800 -0.099 0.000 2.403 262 G HA2 -0.221 3.736 3.960 -0.005 0.000 0.216 262 G HA3 -0.221 3.736 3.960 -0.005 0.000 0.216 262 G C 1.858 176.458 174.900 -0.499 0.000 1.154 262 G CA 1.196 46.063 45.100 -0.388 0.000 0.784 262 G HN 0.618 nan 8.290 nan 0.000 0.538 263 S N 1.180 116.518 115.700 -0.604 0.000 2.402 263 S HA 0.148 4.616 4.470 -0.005 0.000 0.229 263 S C 2.525 176.769 174.600 -0.593 0.000 1.021 263 S CA 1.330 58.883 58.200 -1.078 0.000 0.974 263 S CB -0.383 62.144 63.200 -1.123 0.000 0.800 263 S HN 0.526 nan 8.310 nan 0.000 0.484 264 A N 1.288 123.869 122.820 -0.400 0.000 2.121 264 A HA 0.203 4.520 4.320 -0.005 0.000 0.218 264 A C 2.157 179.584 177.584 -0.261 0.000 1.154 264 A CA 1.171 53.041 52.037 -0.279 0.000 0.679 264 A CB -0.512 18.351 19.000 -0.228 0.000 0.795 264 A HN 0.513 nan 8.150 nan 0.000 0.458 265 M N -0.921 118.491 119.600 -0.313 0.000 2.510 265 M HA 0.038 4.515 4.480 -0.005 0.000 0.256 265 M C 1.971 178.055 176.300 -0.359 0.000 1.132 265 M CA 0.608 55.735 55.300 -0.289 0.000 1.105 265 M CB -0.651 31.780 32.600 -0.281 0.000 1.375 265 M HN 0.229 nan 8.290 nan 0.000 0.477 266 V N 1.174 120.831 119.914 -0.428 0.000 2.220 266 V HA -0.230 3.888 4.120 -0.005 0.000 0.246 266 V C 1.181 176.953 176.094 -0.537 0.000 1.049 266 V CA 1.406 63.437 62.300 -0.447 0.000 1.003 266 V CB -0.916 30.637 31.823 -0.449 0.000 0.634 266 V HN 0.478 nan 8.190 nan 0.000 0.444 267 N N 0.534 118.842 118.700 -0.653 0.000 2.497 267 N HA 0.343 5.080 4.740 -0.005 0.000 0.268 267 N C -0.403 174.940 175.510 -0.277 0.000 1.171 267 N CA 0.496 53.162 53.050 -0.641 0.000 0.948 267 N CB 0.884 39.054 38.487 -0.528 0.000 1.069 267 N HN 0.437 nan 8.380 nan 0.000 0.460 268 A N 3.677 126.412 122.820 -0.141 0.000 2.320 268 A HA 0.382 4.699 4.320 -0.005 0.000 0.287 268 A C -0.482 177.105 177.584 0.004 0.000 1.181 268 A CA -0.587 51.421 52.037 -0.048 0.000 0.831 268 A CB 0.161 19.170 19.000 0.014 0.000 1.102 268 A HN 0.755 nan 8.150 nan 0.000 0.513 269 K N 3.382 123.783 120.400 0.002 0.000 2.307 269 K HA 0.582 4.899 4.320 -0.005 0.000 0.263 269 K C -0.846 175.772 176.600 0.030 0.000 0.973 269 K CA -0.726 55.570 56.287 0.015 0.000 0.846 269 K CB 1.221 33.724 32.500 0.006 0.000 1.100 269 K HN 0.665 nan 8.250 nan 0.000 0.438 270 D N 1.200 121.624 120.400 0.041 0.000 3.798 270 D HA -0.225 4.413 4.640 -0.005 0.000 0.150 270 D C -0.573 175.760 176.300 0.056 0.000 0.953 270 D CA 1.478 55.505 54.000 0.045 0.000 1.089 270 D CB -0.462 40.359 40.800 0.034 0.000 0.535 270 D HN 0.809 nan 8.370 nan 0.000 0.563 271 D N 0.613 121.044 120.400 0.051 0.000 3.010 271 D HA 0.238 4.876 4.640 -0.005 0.000 0.347 271 D C 0.507 176.850 176.300 0.072 0.000 1.340 271 D CA 0.059 54.097 54.000 0.063 0.000 0.858 271 D CB 0.918 41.750 40.800 0.053 0.000 1.111 271 D HN 0.166 nan 8.370 nan 0.000 0.482 272 E N -0.389 119.850 120.200 0.066 0.000 2.406 272 E HA 0.199 4.547 4.350 -0.005 0.000 0.204 272 E C 1.106 177.749 176.600 0.072 0.000 0.820 272 E CA 0.238 56.678 56.400 0.065 0.000 1.136 272 E CB 0.559 30.277 29.700 0.030 0.000 1.129 272 E HN 0.267 nan 8.360 nan 0.000 0.530 273 G N -0.437 108.366 108.800 0.004 0.000 2.641 273 G HA2 0.303 4.260 3.960 -0.005 0.000 0.239 273 G HA3 0.303 4.260 3.960 -0.005 0.000 0.239 273 G C 0.678 175.454 174.900 -0.206 0.000 1.402 273 G CA 0.141 45.173 45.100 -0.113 0.000 1.046 273 G HN 0.024 nan 8.290 nan 0.000 0.565 274 V N -0.669 118.982 119.914 -0.439 0.000 2.685 274 V HA 0.286 4.403 4.120 -0.005 0.000 0.244 274 V C 0.668 176.628 176.094 -0.224 0.000 1.054 274 V CA 0.885 62.791 62.300 -0.657 0.000 1.076 274 V CB -0.402 31.009 31.823 -0.687 0.000 0.725 274 V HN 0.219 nan 8.190 nan 0.000 0.467 275 L N 0.076 121.215 121.223 -0.140 0.000 2.409 275 L HA 0.473 4.810 4.340 -0.005 0.000 0.272 275 L C -0.885 176.066 176.870 0.136 0.000 0.980 275 L CA -0.570 54.287 54.840 0.028 0.000 0.826 275 L CB 2.448 44.602 42.059 0.159 0.000 1.268 275 L HN -0.116 nan 8.230 nan 0.000 0.407 276 V N 2.629 122.652 119.914 0.182 0.000 2.479 276 V HA 0.230 4.348 4.120 -0.005 0.000 0.281 276 V C 0.968 177.306 176.094 0.406 0.000 1.031 276 V CA -0.205 62.266 62.300 0.284 0.000 1.038 276 V CB 0.887 32.892 31.823 0.304 0.000 0.981 276 V HN 0.859 nan 8.190 nan 0.000 0.478 277 G N 3.517 112.570 108.800 0.423 0.000 2.390 277 G HA2 0.494 4.452 3.960 -0.005 0.000 0.270 277 G HA3 0.494 4.452 3.960 -0.005 0.000 0.270 277 G C -0.238 174.798 174.900 0.228 0.000 1.211 277 G CA -0.106 45.216 45.100 0.371 0.000 0.842 277 G HN 0.830 nan 8.290 nan 0.000 0.519 278 S N 1.594 117.215 115.700 -0.132 0.000 2.562 278 S HA 0.459 4.926 4.470 -0.005 0.000 0.274 278 S C -0.912 173.704 174.600 0.028 0.000 1.160 278 S CA -0.787 57.448 58.200 0.058 0.000 0.933 278 S CB 0.779 63.864 63.200 -0.193 0.000 1.100 278 S HN 0.672 nan 8.310 nan 0.000 0.468 279 W N 3.521 124.844 121.300 0.039 0.000 2.357 279 W HA 0.187 4.846 4.660 -0.001 0.000 0.386 279 W C 0.516 176.818 176.519 -0.361 0.000 0.889 279 W CA -0.354 56.961 57.345 -0.051 0.000 2.425 279 W CB 0.590 29.841 29.460 -0.348 0.000 1.244 279 W HN 0.882 nan 8.180 nan 0.000 0.646 280 D N -0.753 119.565 120.400 -0.138 0.000 2.340 280 D HA -0.100 4.538 4.640 -0.005 0.000 0.220 280 D C 0.919 177.002 176.300 -0.362 0.000 1.039 280 D CA 0.227 54.051 54.000 -0.294 0.000 0.866 280 D CB -0.121 40.511 40.800 -0.281 0.000 0.913 280 D HN 0.180 nan 8.370 nan 0.000 0.523 281 N N -1.343 117.090 118.700 -0.445 0.000 2.972 281 N HA -0.255 4.482 4.740 -0.005 0.000 0.225 281 N C 0.757 175.974 175.510 -0.488 0.000 0.883 281 N CA 1.522 54.461 53.050 -0.185 0.000 1.010 281 N CB -1.473 37.108 38.487 0.155 0.000 1.052 281 N HN 0.541 nan 8.380 nan 0.000 0.598 282 I N -5.819 114.257 120.570 -0.823 0.000 3.673 282 I HA 0.350 4.518 4.170 -0.005 0.000 0.281 282 I C 0.094 176.045 176.117 -0.277 0.000 1.182 282 I CA 0.412 61.484 61.300 -0.380 0.000 1.391 282 I CB 0.176 38.059 38.000 -0.195 0.000 1.383 282 I HN 0.033 nan 8.210 nan 0.000 0.456 283 Y N 0.927 121.198 120.300 -0.049 0.000 3.892 283 Y HA -0.201 4.347 4.550 -0.003 0.000 0.231 283 Y C 1.842 177.827 175.900 0.143 0.000 1.266 283 Y CA -0.125 57.968 58.100 -0.011 0.000 1.856 283 Y CB -2.380 36.140 38.460 0.099 0.000 1.578 283 Y HN 0.422 nan 8.280 nan 0.000 0.669 284 A N -0.446 122.416 122.820 0.072 0.000 1.906 284 A HA -0.290 4.027 4.320 -0.005 0.000 0.222 284 A C 1.435 178.973 177.584 -0.076 0.000 1.282 284 A CA 2.715 54.682 52.037 -0.116 0.000 0.675 284 A CB -0.733 18.049 19.000 -0.363 0.000 0.838 284 A HN 0.624 nan 8.150 nan 0.000 0.469 285 Y N -1.032 119.441 120.300 0.289 0.000 2.636 285 Y HA 0.448 4.994 4.550 -0.006 0.000 0.260 285 Y C 1.309 177.265 175.900 0.092 0.000 1.177 285 Y CA -0.155 58.048 58.100 0.171 0.000 1.209 285 Y CB 0.213 38.763 38.460 0.149 0.000 1.166 285 Y HN 0.463 nan 8.280 nan 0.000 0.531 286 G N -0.680 108.275 108.800 0.258 0.000 3.195 286 G HA2 0.512 4.469 3.960 -0.005 0.000 0.217 286 G HA3 0.512 4.469 3.960 -0.005 0.000 0.217 286 G C -1.429 173.479 174.900 0.013 0.000 1.166 286 G CA -0.366 44.706 45.100 -0.046 0.000 0.812 286 G HN -0.073 nan 8.290 nan 0.000 0.617 287 V N 0.649 120.518 119.914 -0.075 0.000 2.531 287 V HA 0.697 4.814 4.120 -0.005 0.000 0.301 287 V C -2.720 173.193 176.094 -0.303 0.000 1.034 287 V CA -2.147 59.984 62.300 -0.280 0.000 0.865 287 V CB 2.051 33.481 31.823 -0.655 0.000 0.995 287 V HN 0.467 nan 8.190 nan 0.000 0.424 288 P HA 0.156 nan 4.420 nan 0.000 0.266 288 P C -2.260 174.703 177.300 -0.561 0.000 1.186 288 P CA -0.661 62.072 63.100 -0.613 0.000 0.767 288 P CB 0.105 31.650 31.700 -0.259 0.000 0.820 289 P HA -0.143 nan 4.420 nan 0.000 0.218 289 P C 1.492 178.868 177.300 0.127 0.000 1.148 289 P CA 1.668 64.659 63.100 -0.181 0.000 0.822 289 P CB -0.090 31.372 31.700 -0.397 0.000 0.784 290 S N -1.412 114.398 115.700 0.183 0.000 2.447 290 S HA -0.055 4.413 4.470 -0.005 0.000 0.233 290 S C 1.852 176.520 174.600 0.113 0.000 1.006 290 S CA 1.050 59.472 58.200 0.370 0.000 0.957 290 S CB -0.609 62.802 63.200 0.352 0.000 0.773 290 S HN 0.105 nan 8.310 nan 0.000 0.507 291 A N 0.652 123.338 122.820 -0.223 0.000 1.872 291 A HA 0.055 4.372 4.320 -0.005 0.000 0.214 291 A C 0.496 177.769 177.584 -0.519 0.000 1.187 291 A CA 0.047 51.771 52.037 -0.522 0.000 0.614 291 A CB -0.822 17.672 19.000 -0.843 0.000 0.826 291 A HN 0.575 nan 8.150 nan 0.000 0.442 292 W N 0.491 121.686 121.300 -0.175 0.000 2.687 292 W HA 0.043 4.695 4.660 -0.013 0.000 0.330 292 W C 1.179 177.569 176.519 -0.215 0.000 1.099 292 W CA 0.886 58.141 57.345 -0.150 0.000 1.337 292 W CB 0.153 29.629 29.460 0.027 0.000 1.164 292 W HN 0.320 nan 8.180 nan 0.000 0.568 293 T N -0.568 113.899 114.554 -0.145 0.000 2.986 293 T HA 0.512 4.860 4.350 -0.005 0.000 0.264 293 T C 0.496 174.644 174.700 -0.920 0.000 0.964 293 T CA 0.187 62.072 62.100 -0.357 0.000 0.895 293 T CB 0.508 69.319 68.868 -0.094 0.000 1.163 293 T HN 0.790 nan 8.240 nan 0.000 0.517 294 G N 0.667 108.814 108.800 -1.088 0.000 2.427 294 G HA2 0.422 4.379 3.960 -0.005 0.000 0.306 294 G HA3 0.422 4.379 3.960 -0.005 0.000 0.306 294 G C -0.160 174.420 174.900 -0.533 0.000 1.280 294 G CA -0.008 44.155 45.100 -1.561 0.000 0.837 294 G HN -0.064 nan 8.290 nan 0.000 0.482 295 S N -0.648 115.019 115.700 -0.055 0.000 2.528 295 S HA 0.080 4.548 4.470 -0.005 0.000 0.219 295 S C 2.238 176.865 174.600 0.045 0.000 0.985 295 S CA 0.818 59.121 58.200 0.173 0.000 0.914 295 S CB 0.409 63.821 63.200 0.353 0.000 0.776 295 S HN 0.418 nan 8.310 nan 0.000 0.526 296 V N 3.705 123.625 119.914 0.009 0.000 2.283 296 V HA -0.173 3.944 4.120 -0.005 0.000 0.243 296 V C 2.439 178.560 176.094 0.044 0.000 1.039 296 V CA 2.032 64.361 62.300 0.049 0.000 1.016 296 V CB -0.714 31.148 31.823 0.064 0.000 0.650 296 V HN 0.526 nan 8.190 nan 0.000 0.449 297 D N 0.275 120.701 120.400 0.043 0.000 2.144 297 D HA -0.164 4.473 4.640 -0.005 0.000 0.200 297 D C 1.992 178.294 176.300 0.002 0.000 0.978 297 D CA 1.272 55.318 54.000 0.076 0.000 0.833 297 D CB -0.546 40.363 40.800 0.181 0.000 0.961 297 D HN 0.447 nan 8.370 nan 0.000 0.470 298 I N 0.513 120.982 120.570 -0.170 0.000 2.099 298 I HA -0.278 3.889 4.170 -0.005 0.000 0.239 298 I C 2.689 178.773 176.117 -0.054 0.000 1.066 298 I CA 1.008 62.128 61.300 -0.300 0.000 1.324 298 I CB -0.303 37.355 38.000 -0.570 0.000 1.037 298 I HN -0.059 nan 8.210 nan 0.000 0.401 299 L N 0.036 121.266 121.223 0.012 0.000 2.012 299 L HA -0.247 4.090 4.340 -0.005 0.000 0.210 299 L C 2.526 179.485 176.870 0.148 0.000 1.073 299 L CA 1.478 56.395 54.840 0.128 0.000 0.748 299 L CB -0.618 41.530 42.059 0.149 0.000 0.891 299 L HN 0.270 nan 8.230 nan 0.000 0.431 300 L N -0.587 120.688 121.223 0.087 0.000 2.083 300 L HA -0.211 4.126 4.340 -0.005 0.000 0.209 300 L C 2.584 179.478 176.870 0.040 0.000 1.083 300 L CA 1.053 55.925 54.840 0.054 0.000 0.752 300 L CB -0.522 41.565 42.059 0.047 0.000 0.899 300 L HN 0.286 nan 8.230 nan 0.000 0.433 301 E N -0.016 120.220 120.200 0.060 0.000 2.106 301 E HA -0.266 4.082 4.350 -0.005 0.000 0.192 301 E C 2.058 178.706 176.600 0.079 0.000 0.984 301 E CA 1.164 57.600 56.400 0.060 0.000 0.806 301 E CB -0.348 29.400 29.700 0.080 0.000 0.750 301 E HN 0.427 nan 8.360 nan 0.000 0.458 302 Y N 1.043 121.345 120.300 0.004 0.000 2.128 302 Y HA -0.260 4.286 4.550 -0.007 0.000 0.284 302 Y C 2.330 178.258 175.900 0.047 0.000 1.154 302 Y CA 2.589 60.716 58.100 0.046 0.000 1.149 302 Y CB -0.396 38.108 38.460 0.072 0.000 0.976 302 Y HN 0.056 nan 8.280 nan 0.000 0.505 303 R N 0.156 120.560 120.500 -0.159 0.000 2.073 303 R HA -0.074 4.263 4.340 -0.005 0.000 0.229 303 R C 2.582 178.631 176.300 -0.418 0.000 1.120 303 R CA 1.722 57.509 56.100 -0.523 0.000 0.967 303 R CB -1.202 28.865 30.300 -0.388 0.000 0.862 303 R HN 0.338 nan 8.270 nan 0.000 0.436 304 S N -0.444 115.133 115.700 -0.204 0.000 2.353 304 S HA -0.150 4.317 4.470 -0.005 0.000 0.222 304 S C 1.864 176.393 174.600 -0.118 0.000 1.035 304 S CA 1.911 60.029 58.200 -0.136 0.000 1.025 304 S CB -0.533 62.630 63.200 -0.062 0.000 0.902 304 S HN 0.662 nan 8.310 nan 0.000 0.440 305 S N -0.061 115.585 115.700 -0.091 0.000 2.478 305 S HA 0.194 4.661 4.470 -0.005 0.000 0.222 305 S C 0.517 175.070 174.600 -0.079 0.000 1.008 305 S CA 0.733 58.900 58.200 -0.055 0.000 0.928 305 S CB -0.481 62.713 63.200 -0.010 0.000 0.781 305 S HN 0.646 nan 8.310 nan 0.000 0.518 306 E N 0.831 120.931 120.200 -0.167 0.000 2.791 306 E HA -0.141 4.206 4.350 -0.005 0.000 0.271 306 E C -0.878 175.673 176.600 -0.081 0.000 1.044 306 E CA 0.510 56.816 56.400 -0.155 0.000 0.814 306 E CB -1.720 27.958 29.700 -0.037 0.000 1.400 306 E HN 0.643 nan 8.360 nan 0.000 0.423 307 N N -0.533 118.154 118.700 -0.023 0.000 2.525 307 N HA 0.381 5.118 4.740 -0.005 0.000 0.270 307 N C -2.862 172.790 175.510 0.236 0.000 1.321 307 N CA -1.617 51.492 53.050 0.100 0.000 0.797 307 N CB 1.965 40.488 38.487 0.060 0.000 1.529 307 N HN -0.249 nan 8.380 nan 0.000 0.491 308 P HA 0.070 nan 4.420 nan 0.000 0.267 308 P C -0.472 176.907 177.300 0.132 0.000 1.200 308 P CA -0.068 63.146 63.100 0.189 0.000 0.772 308 P CB 0.672 32.441 31.700 0.115 0.000 0.855 309 V N 4.517 124.491 119.914 0.100 0.000 2.481 309 V HA 0.323 4.440 4.120 -0.005 0.000 0.286 309 V C 0.643 176.747 176.094 0.016 0.000 1.042 309 V CA -0.376 61.958 62.300 0.057 0.000 0.928 309 V CB 1.091 32.926 31.823 0.020 0.000 0.986 309 V HN 0.434 nan 8.190 nan 0.000 0.462 310 R N 3.893 124.344 120.500 -0.082 0.000 2.255 310 R HA 0.657 4.995 4.340 -0.005 0.000 0.326 310 R C -1.582 174.631 176.300 -0.146 0.000 0.986 310 R CA -0.318 55.511 56.100 -0.451 0.000 0.847 310 R CB 1.181 30.809 30.300 -1.120 0.000 1.111 310 R HN 0.647 nan 8.270 nan 0.000 0.452 311 Y N -0.348 120.124 120.300 0.288 0.000 2.615 311 Y HA 0.632 5.181 4.550 -0.003 0.000 0.341 311 Y C 0.564 176.517 175.900 0.089 0.000 1.089 311 Y CA -0.959 57.221 58.100 0.134 0.000 1.049 311 Y CB 2.455 40.922 38.460 0.011 0.000 1.296 311 Y HN 0.669 nan 8.280 nan 0.000 0.470 312 G N 0.131 108.969 108.800 0.063 0.000 2.630 312 G HA2 0.734 4.691 3.960 -0.005 0.000 0.296 312 G HA3 0.734 4.691 3.960 -0.005 0.000 0.296 312 G C -1.555 172.766 174.900 -0.964 0.000 1.285 312 G CA -0.610 44.274 45.100 -0.361 0.000 0.958 312 G HN 0.496 nan 8.290 nan 0.000 0.479 313 Q N -1.733 117.249 119.800 -1.365 0.000 3.093 313 Q HA 0.255 4.592 4.340 -0.005 0.000 0.330 313 Q C 1.723 177.029 176.000 -1.157 0.000 0.947 313 Q CA -0.406 54.536 55.803 -1.436 0.000 0.801 313 Q CB 1.589 29.656 28.738 -1.118 0.000 1.470 313 Q HN 0.769 nan 8.270 nan 0.000 0.498 314 C N -0.977 118.223 119.300 -0.166 0.000 2.425 314 C HA -0.074 4.383 4.460 -0.005 0.000 0.277 314 C C 2.085 177.074 174.990 -0.002 0.000 1.280 314 C CA 1.029 60.137 59.018 0.149 0.000 1.744 314 C CB -1.574 26.595 27.740 0.716 0.000 1.989 314 C HN 0.949 nan 8.230 nan 0.000 0.491 315 W N 1.763 123.043 121.300 -0.033 0.000 2.476 315 W HA 0.247 4.902 4.660 -0.007 0.000 0.281 315 W C 1.793 178.072 176.519 -0.400 0.000 1.230 315 W CA 0.893 58.128 57.345 -0.182 0.000 1.287 315 W CB -1.035 28.304 29.460 -0.202 0.000 1.108 315 W HN 0.126 nan 8.180 nan 0.000 0.567 316 V N 1.422 120.629 119.914 -1.178 0.000 2.358 316 V HA -0.300 3.817 4.120 -0.005 0.000 0.246 316 V C 2.329 178.252 176.094 -0.285 0.000 1.047 316 V CA 1.719 63.566 62.300 -0.755 0.000 1.035 316 V CB -1.170 30.253 31.823 -0.667 0.000 0.658 316 V HN 0.063 nan 8.190 nan 0.000 0.452 317 F N 1.150 120.937 119.950 -0.272 0.000 2.134 317 F HA -0.096 4.427 4.527 -0.006 0.000 0.299 317 F C 2.509 178.274 175.800 -0.057 0.000 1.097 317 F CA 0.983 58.908 58.000 -0.124 0.000 1.264 317 F CB -1.523 37.447 39.000 -0.050 0.000 1.001 317 F HN 0.135 nan 8.300 nan 0.000 0.479 318 A N 0.160 123.049 122.820 0.115 0.000 1.930 318 A HA 0.011 4.329 4.320 -0.005 0.000 0.217 318 A C 2.610 180.186 177.584 -0.013 0.000 1.175 318 A CA 1.614 53.706 52.037 0.091 0.000 0.627 318 A CB -1.483 17.549 19.000 0.054 0.000 0.815 318 A HN 0.388 nan 8.150 nan 0.000 0.443 319 G N -0.295 108.346 108.800 -0.265 0.000 2.453 319 G HA2 -0.151 3.807 3.960 -0.005 0.000 0.215 319 G HA3 -0.151 3.807 3.960 -0.005 0.000 0.215 319 G C 1.503 176.509 174.900 0.176 0.000 1.201 319 G CA 1.322 46.192 45.100 -0.383 0.000 0.784 319 G HN 0.316 nan 8.290 nan 0.000 0.545 320 V N 0.260 120.295 119.914 0.202 0.000 2.469 320 V HA -0.135 3.983 4.120 -0.005 0.000 0.251 320 V C 2.347 178.582 176.094 0.236 0.000 1.064 320 V CA 1.717 64.159 62.300 0.236 0.000 1.066 320 V CB -0.546 31.363 31.823 0.144 0.000 0.667 320 V HN 0.355 nan 8.190 nan 0.000 0.461 321 F N 1.282 121.262 119.950 0.049 0.000 2.367 321 F HA 0.014 4.538 4.527 -0.005 0.000 0.298 321 F C 2.015 177.866 175.800 0.086 0.000 1.094 321 F CA 1.355 59.384 58.000 0.048 0.000 1.409 321 F CB -0.436 38.565 39.000 0.002 0.000 1.064 321 F HN 0.193 nan 8.300 nan 0.000 0.528 322 N N -0.732 117.932 118.700 -0.059 0.000 2.216 322 N HA -0.137 4.600 4.740 -0.005 0.000 0.183 322 N C 1.716 177.040 175.510 -0.309 0.000 1.017 322 N CA 1.878 54.755 53.050 -0.287 0.000 0.861 322 N CB -0.217 38.003 38.487 -0.445 0.000 0.986 322 N HN 0.148 nan 8.380 nan 0.000 0.428 323 T N -0.102 114.393 114.554 -0.100 0.000 2.684 323 T HA -0.142 4.206 4.350 -0.005 0.000 0.267 323 T C 1.478 176.183 174.700 0.008 0.000 1.036 323 T CA 1.246 63.349 62.100 0.004 0.000 1.148 323 T CB -0.597 68.377 68.868 0.176 0.000 0.863 323 T HN 0.284 nan 8.240 nan 0.000 0.436 324 F N 1.791 121.687 119.950 -0.090 0.000 2.043 324 F HA -0.152 4.371 4.527 -0.007 0.000 0.297 324 F C 1.973 177.671 175.800 -0.170 0.000 1.121 324 F CA 1.420 59.369 58.000 -0.085 0.000 1.199 324 F CB -0.533 38.448 39.000 -0.032 0.000 0.968 324 F HN 0.052 nan 8.300 nan 0.000 0.478 325 L N -0.067 121.017 121.223 -0.231 0.000 1.989 325 L HA -0.238 4.100 4.340 -0.005 0.000 0.211 325 L C 2.706 179.451 176.870 -0.208 0.000 1.071 325 L CA 1.765 56.422 54.840 -0.305 0.000 0.749 325 L CB -0.854 40.991 42.059 -0.358 0.000 0.890 325 L HN 0.050 nan 8.230 nan 0.000 0.431 326 R N -0.824 119.569 120.500 -0.179 0.000 2.083 326 R HA -0.227 4.111 4.340 -0.005 0.000 0.237 326 R C 2.505 178.765 176.300 -0.067 0.000 1.137 326 R CA 1.879 57.911 56.100 -0.115 0.000 0.951 326 R CB -0.923 29.276 30.300 -0.168 0.000 0.851 326 R HN 0.477 nan 8.270 nan 0.000 0.434 327 C N 0.670 119.902 119.300 -0.112 0.000 2.425 327 C HA -0.037 4.420 4.460 -0.005 0.000 0.277 327 C C 2.355 177.407 174.990 0.102 0.000 1.280 327 C CA 0.689 59.698 59.018 -0.014 0.000 1.744 327 C CB -0.872 26.849 27.740 -0.031 0.000 1.989 327 C HN 0.436 nan 8.230 nan 0.000 0.491 328 L N -0.133 121.081 121.223 -0.015 0.000 2.446 328 L HA 0.228 4.565 4.340 -0.005 0.000 0.219 328 L C 1.987 179.035 176.870 0.296 0.000 1.116 328 L CA 1.198 56.089 54.840 0.086 0.000 0.844 328 L CB -0.435 41.606 42.059 -0.030 0.000 0.970 328 L HN 0.594 nan 8.230 nan 0.000 0.457 329 G N 0.479 109.405 108.800 0.209 0.000 2.168 329 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.197 329 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.197 329 G C 0.077 175.062 174.900 0.141 0.000 0.997 329 G CA -0.572 44.694 45.100 0.277 0.000 0.658 329 G HN 0.182 nan 8.290 nan 0.000 0.513 330 I N 2.237 122.775 120.570 -0.054 0.000 2.331 330 I HA 0.315 4.483 4.170 -0.005 0.000 0.292 330 I C -2.014 174.072 176.117 -0.052 0.000 0.998 330 I CA -2.460 58.746 61.300 -0.156 0.000 1.267 330 I CB 1.654 39.464 38.000 -0.316 0.000 1.386 330 I HN -0.138 nan 8.210 nan 0.000 0.476 331 P HA 0.212 nan 4.420 nan 0.000 0.267 331 P C -1.040 176.343 177.300 0.138 0.000 1.205 331 P CA -0.107 63.014 63.100 0.034 0.000 0.765 331 P CB 0.845 32.491 31.700 -0.091 0.000 0.828 332 A N 3.459 126.364 122.820 0.141 0.000 2.549 332 A HA 0.808 5.125 4.320 -0.005 0.000 0.297 332 A C -0.812 176.763 177.584 -0.014 0.000 1.061 332 A CA -0.736 51.359 52.037 0.097 0.000 0.690 332 A CB 1.697 20.650 19.000 -0.078 0.000 1.287 332 A HN 0.655 nan 8.150 nan 0.000 0.402 333 R N 1.217 121.626 120.500 -0.153 0.000 2.740 333 R HA 0.785 5.122 4.340 -0.005 0.000 0.273 333 R C -1.662 174.540 176.300 -0.163 0.000 0.998 333 R CA -0.769 55.218 56.100 -0.189 0.000 0.900 333 R CB 1.243 31.297 30.300 -0.410 0.000 1.223 333 R HN 0.501 nan 8.270 nan 0.000 0.466 334 I N 2.098 122.621 120.570 -0.079 0.000 2.396 334 I HA 0.306 4.474 4.170 -0.005 0.000 0.292 334 I C -0.293 175.733 176.117 -0.152 0.000 0.999 334 I CA -1.124 60.127 61.300 -0.082 0.000 1.310 334 I CB 1.881 39.874 38.000 -0.012 0.000 1.404 334 I HN 0.299 nan 8.210 nan 0.000 0.496 335 V N 4.927 124.658 119.914 -0.305 0.000 2.667 335 V HA 0.427 4.544 4.120 -0.005 0.000 0.308 335 V C -0.106 175.645 176.094 -0.570 0.000 1.048 335 V CA -0.285 61.731 62.300 -0.473 0.000 0.928 335 V CB 2.356 33.776 31.823 -0.671 0.000 1.004 335 V HN 0.732 nan 8.190 nan 0.000 0.444 336 T N 3.944 118.208 114.554 -0.483 0.000 2.815 336 T HA 0.330 4.678 4.350 -0.005 0.000 0.289 336 T C -0.473 173.857 174.700 -0.618 0.000 1.000 336 T CA -0.386 61.423 62.100 -0.485 0.000 0.958 336 T CB 0.726 69.400 68.868 -0.323 0.000 0.944 336 T HN 0.656 nan 8.240 nan 0.000 0.442 337 N N 2.242 120.554 118.700 -0.647 0.000 2.438 337 N HA 0.312 5.049 4.740 -0.005 0.000 0.282 337 N C -1.534 173.782 175.510 -0.323 0.000 1.037 337 N CA -0.447 52.338 53.050 -0.443 0.000 0.942 337 N CB 0.436 38.725 38.487 -0.329 0.000 1.136 337 N HN 0.419 nan 8.380 nan 0.000 0.481 338 Y N 3.911 124.154 120.300 -0.094 0.000 2.350 338 Y HA 0.380 4.927 4.550 -0.005 0.000 0.340 338 Y C -0.379 175.447 175.900 -0.123 0.000 1.006 338 Y CA -0.260 57.742 58.100 -0.163 0.000 1.166 338 Y CB 0.296 38.577 38.460 -0.299 0.000 1.168 338 Y HN 0.407 nan 8.280 nan 0.000 0.502 339 F N 1.198 121.258 119.950 0.184 0.000 2.329 339 F HA -0.221 4.304 4.527 -0.004 0.000 0.418 339 F C 0.149 176.021 175.800 0.121 0.000 1.164 339 F CA -0.098 57.955 58.000 0.088 0.000 1.372 339 F CB -1.544 37.336 39.000 -0.200 0.000 2.058 339 F HN 0.356 nan 8.300 nan 0.000 0.769 340 S N 1.468 117.384 115.700 0.361 0.000 2.433 340 S HA 0.813 5.280 4.470 -0.005 0.000 0.310 340 S C 0.168 174.860 174.600 0.155 0.000 1.097 340 S CA 0.036 58.379 58.200 0.238 0.000 1.103 340 S CB 1.081 64.421 63.200 0.233 0.000 0.992 340 S HN 0.799 nan 8.310 nan 0.000 0.469 341 A N 4.500 127.391 122.820 0.118 0.000 2.798 341 A HA 0.371 4.688 4.320 -0.005 0.000 0.316 341 A C -0.126 177.448 177.584 -0.017 0.000 1.506 341 A CA -0.201 51.879 52.037 0.072 0.000 1.162 341 A CB -0.490 18.552 19.000 0.071 0.000 1.138 341 A HN 0.934 nan 8.150 nan 0.000 0.532 342 H N 1.185 120.070 119.070 -0.309 0.000 2.544 342 H HA 0.279 4.833 4.556 -0.004 0.000 0.365 342 H C 0.214 175.429 175.328 -0.188 0.000 1.268 342 H CA 0.296 56.081 56.048 -0.439 0.000 1.400 342 H CB 0.654 29.710 29.762 -1.177 0.000 1.538 342 H HN 0.721 nan 8.280 nan 0.000 0.597 343 D N 0.792 120.873 120.400 -0.532 0.000 2.708 343 D HA -0.229 4.408 4.640 -0.005 0.000 0.236 343 D C 0.442 176.680 176.300 -0.105 0.000 1.146 343 D CA 1.120 54.972 54.000 -0.247 0.000 0.662 343 D CB -1.528 39.216 40.800 -0.093 0.000 1.059 343 D HN 0.748 nan 8.370 nan 0.000 0.428 344 N N 0.273 118.933 118.700 -0.066 0.000 2.409 344 N HA -0.066 4.671 4.740 -0.005 0.000 0.179 344 N C 0.681 176.240 175.510 0.082 0.000 1.032 344 N CA 0.858 53.922 53.050 0.024 0.000 0.898 344 N CB 0.121 38.631 38.487 0.039 0.000 0.971 344 N HN 0.114 nan 8.380 nan 0.000 0.441 345 D N -1.067 119.435 120.400 0.170 0.000 2.811 345 D HA -0.275 4.363 4.640 -0.005 0.000 0.231 345 D C 0.506 176.946 176.300 0.233 0.000 1.157 345 D CA 1.075 55.247 54.000 0.286 0.000 0.716 345 D CB -1.381 39.494 40.800 0.126 0.000 1.077 345 D HN 0.671 nan 8.370 nan 0.000 0.428 346 A N -1.919 120.959 122.820 0.097 0.000 3.132 346 A HA -0.350 3.968 4.320 -0.005 0.000 0.266 346 A C 0.606 178.143 177.584 -0.078 0.000 1.216 346 A CA 1.349 53.252 52.037 -0.223 0.000 0.985 346 A CB -1.657 16.969 19.000 -0.623 0.000 1.102 346 A HN 0.549 nan 8.150 nan 0.000 0.833 347 N N -0.429 118.269 118.700 -0.003 0.000 2.508 347 N HA 0.465 5.203 4.740 -0.005 0.000 0.264 347 N C 0.705 176.232 175.510 0.028 0.000 1.216 347 N CA 0.171 53.226 53.050 0.008 0.000 0.943 347 N CB 0.645 39.142 38.487 0.016 0.000 1.113 347 N HN 0.436 nan 8.380 nan 0.000 0.447 348 L N 0.885 122.131 121.223 0.038 0.000 2.741 348 L HA 0.194 4.531 4.340 -0.005 0.000 0.237 348 L C 0.157 177.045 176.870 0.030 0.000 1.178 348 L CA 0.209 55.084 54.840 0.058 0.000 0.973 348 L CB -0.076 42.044 42.059 0.101 0.000 1.255 348 L HN 0.284 nan 8.230 nan 0.000 0.498 349 Q N 1.145 120.950 119.800 0.008 0.000 2.340 349 Q HA 0.526 4.863 4.340 -0.005 0.000 0.268 349 Q C -0.970 175.005 176.000 -0.042 0.000 1.031 349 Q CA -0.527 55.261 55.803 -0.025 0.000 0.804 349 Q CB 3.133 31.852 28.738 -0.032 0.000 1.286 349 Q HN 0.016 nan 8.270 nan 0.000 0.448 350 M N 2.512 122.068 119.600 -0.074 0.000 2.227 350 M HA 0.338 4.815 4.480 -0.005 0.000 0.335 350 M C -1.618 174.555 176.300 -0.212 0.000 1.053 350 M CA -0.178 55.064 55.300 -0.097 0.000 0.973 350 M CB 1.214 33.776 32.600 -0.062 0.000 1.623 350 M HN 0.363 nan 8.290 nan 0.000 0.434 351 D N 5.548 125.794 120.400 -0.256 0.000 2.193 351 D HA 0.453 5.090 4.640 -0.005 0.000 0.244 351 D C -0.943 175.027 176.300 -0.549 0.000 1.064 351 D CA 0.156 53.850 54.000 -0.509 0.000 0.845 351 D CB 1.290 41.622 40.800 -0.780 0.000 1.148 351 D HN 0.519 nan 8.370 nan 0.000 0.464 352 I N 2.394 122.580 120.570 -0.640 0.000 2.362 352 I HA 0.259 4.426 4.170 -0.005 0.000 0.289 352 I C -0.447 175.390 176.117 -0.466 0.000 0.994 352 I CA -0.592 60.434 61.300 -0.456 0.000 1.158 352 I CB 0.792 38.571 38.000 -0.369 0.000 1.315 352 I HN 0.105 nan 8.210 nan 0.000 0.451 353 F N 6.395 126.263 119.950 -0.136 0.000 2.408 353 F HA 0.560 5.085 4.527 -0.005 0.000 0.344 353 F C 0.099 175.819 175.800 -0.134 0.000 1.112 353 F CA -0.512 57.399 58.000 -0.148 0.000 1.096 353 F CB 0.725 39.612 39.000 -0.188 0.000 1.129 353 F HN 0.136 nan 8.300 nan 0.000 0.486 354 L N 2.494 123.752 121.223 0.059 0.000 2.334 354 L HA 0.491 4.828 4.340 -0.005 0.000 0.270 354 L C 0.214 177.076 176.870 -0.013 0.000 1.018 354 L CA -1.101 53.734 54.840 -0.008 0.000 0.811 354 L CB 1.288 43.346 42.059 -0.001 0.000 1.271 354 L HN 0.562 nan 8.230 nan 0.000 0.443 355 E N 0.458 120.623 120.200 -0.059 0.000 2.376 355 E HA 0.060 4.407 4.350 -0.005 0.000 0.254 355 E C 0.274 176.856 176.600 -0.029 0.000 1.213 355 E CA -0.415 55.952 56.400 -0.055 0.000 0.945 355 E CB 0.876 30.518 29.700 -0.097 0.000 1.057 355 E HN 0.561 nan 8.360 nan 0.000 0.479 356 E N 0.642 120.833 120.200 -0.016 0.000 2.204 356 E HA -0.200 4.147 4.350 -0.005 0.000 0.195 356 E C 1.265 177.874 176.600 0.014 0.000 0.990 356 E CA 1.431 57.834 56.400 0.005 0.000 0.821 356 E CB -0.041 29.665 29.700 0.009 0.000 0.750 356 E HN 0.470 nan 8.360 nan 0.000 0.477 357 D N -1.141 119.258 120.400 -0.002 0.000 2.317 357 D HA -0.025 4.612 4.640 -0.005 0.000 0.211 357 D C 1.324 177.707 176.300 0.138 0.000 0.966 357 D CA 0.970 55.005 54.000 0.058 0.000 0.876 357 D CB 0.187 41.018 40.800 0.052 0.000 0.927 357 D HN 0.206 nan 8.370 nan 0.000 0.519 358 G N -0.517 108.302 108.800 0.032 0.000 2.192 358 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.193 358 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.193 358 G C -0.074 174.817 174.900 -0.015 0.000 0.999 358 G CA -0.178 44.984 45.100 0.104 0.000 0.659 358 G HN 0.444 nan 8.290 nan 0.000 0.503 359 N N 0.531 118.993 118.700 -0.397 0.000 2.479 359 N HA 0.294 5.031 4.740 -0.005 0.000 0.257 359 N C 0.814 176.178 175.510 -0.243 0.000 1.232 359 N CA 0.103 52.847 53.050 -0.509 0.000 0.920 359 N CB 0.919 39.020 38.487 -0.645 0.000 1.105 359 N HN 0.042 nan 8.380 nan 0.000 0.444 360 V N 3.387 123.159 119.914 -0.237 0.000 2.557 360 V HA -0.103 4.015 4.120 -0.005 0.000 0.301 360 V C 0.878 176.871 176.094 -0.168 0.000 1.026 360 V CA 0.026 62.168 62.300 -0.264 0.000 1.137 360 V CB 0.338 31.867 31.823 -0.490 0.000 0.917 360 V HN 0.613 nan 8.190 nan 0.000 0.484 361 N N 3.709 122.346 118.700 -0.105 0.000 2.402 361 N HA 0.035 4.773 4.740 -0.005 0.000 0.252 361 N C 1.078 176.567 175.510 -0.035 0.000 1.118 361 N CA 0.363 53.376 53.050 -0.061 0.000 0.945 361 N CB 1.238 39.706 38.487 -0.031 0.000 1.147 361 N HN 0.780 nan 8.380 nan 0.000 0.495 362 S N 2.627 118.307 115.700 -0.033 0.000 2.603 362 S HA -0.008 4.459 4.470 -0.005 0.000 0.220 362 S C 1.488 176.090 174.600 0.003 0.000 0.967 362 S CA 0.137 58.338 58.200 0.001 0.000 0.920 362 S CB 0.265 63.475 63.200 0.017 0.000 0.773 362 S HN 0.636 nan 8.310 nan 0.000 0.529 363 K N 0.357 120.745 120.400 -0.020 0.000 2.186 363 K HA 0.154 4.472 4.320 -0.005 0.000 0.202 363 K C 1.337 177.912 176.600 -0.043 0.000 1.052 363 K CA 0.567 56.834 56.287 -0.032 0.000 0.965 363 K CB -0.006 32.464 32.500 -0.050 0.000 0.746 363 K HN 0.249 nan 8.250 nan 0.000 0.457 364 L N 0.565 121.754 121.223 -0.055 0.000 2.425 364 L HA 0.130 4.467 4.340 -0.005 0.000 0.215 364 L C 0.387 177.328 176.870 0.118 0.000 1.065 364 L CA 1.045 55.812 54.840 -0.121 0.000 0.842 364 L CB 0.101 41.910 42.059 -0.418 0.000 1.033 364 L HN -0.095 nan 8.230 nan 0.000 0.474 365 T N 1.664 116.327 114.554 0.181 0.000 2.848 365 T HA 0.101 4.448 4.350 -0.005 0.000 0.283 365 T C 1.223 175.996 174.700 0.121 0.000 0.919 365 T CA 0.096 62.326 62.100 0.217 0.000 1.071 365 T CB 0.262 69.197 68.868 0.112 0.000 0.912 365 T HN 0.071 nan 8.240 nan 0.000 0.570 366 K N 1.369 121.841 120.400 0.121 0.000 2.440 366 K HA 0.113 4.430 4.320 -0.005 0.000 0.207 366 K C -0.337 176.289 176.600 0.043 0.000 1.112 366 K CA -0.111 56.214 56.287 0.063 0.000 1.036 366 K CB 0.930 33.462 32.500 0.052 0.000 0.935 366 K HN 0.438 nan 8.250 nan 0.000 0.564 367 D N 1.764 122.195 120.400 0.051 0.000 2.225 367 D HA 0.186 4.823 4.640 -0.005 0.000 0.248 367 D C -0.319 175.996 176.300 0.024 0.000 1.096 367 D CA 0.227 54.247 54.000 0.033 0.000 0.863 367 D CB 1.656 42.472 40.800 0.026 0.000 1.156 367 D HN -0.152 nan 8.370 nan 0.000 0.450 368 S N 0.452 116.170 115.700 0.031 0.000 2.537 368 S HA 0.493 4.960 4.470 -0.005 0.000 0.301 368 S C -0.129 174.541 174.600 0.118 0.000 1.092 368 S CA -0.952 57.259 58.200 0.019 0.000 1.048 368 S CB 2.258 65.434 63.200 -0.040 0.000 1.053 368 S HN 0.352 nan 8.310 nan 0.000 0.501 369 V N 1.446 121.437 119.914 0.129 0.000 2.472 369 V HA 0.580 4.697 4.120 -0.005 0.000 0.290 369 V C -1.256 175.059 176.094 0.368 0.000 1.037 369 V CA -0.798 61.671 62.300 0.282 0.000 0.908 369 V CB 0.347 32.333 31.823 0.272 0.000 0.985 369 V HN 0.855 nan 8.190 nan 0.000 0.454 370 W N 5.094 126.439 121.300 0.076 0.000 2.264 370 W HA 0.350 5.006 4.660 -0.006 0.000 0.331 370 W C 1.451 178.095 176.519 0.208 0.000 1.364 370 W CA -0.206 57.154 57.345 0.025 0.000 1.253 370 W CB -0.474 28.934 29.460 -0.086 0.000 1.215 370 W HN 0.674 nan 8.180 nan 0.000 0.561 371 N N 1.436 120.357 118.700 0.369 0.000 2.149 371 N HA -0.180 4.557 4.740 -0.005 0.000 0.188 371 N C -0.111 175.625 175.510 0.377 0.000 1.019 371 N CA 1.477 54.774 53.050 0.411 0.000 0.857 371 N CB -0.282 38.450 38.487 0.409 0.000 0.997 371 N HN 0.575 nan 8.380 nan 0.000 0.426 372 Y N -2.754 117.761 120.300 0.358 0.000 2.597 372 Y HA 0.626 5.173 4.550 -0.005 0.000 0.340 372 Y C -1.117 175.083 175.900 0.500 0.000 1.097 372 Y CA -1.439 56.755 58.100 0.158 0.000 1.037 372 Y CB 0.992 39.366 38.460 -0.144 0.000 1.305 372 Y HN -0.024 nan 8.280 nan 0.000 0.463 373 H N 0.518 119.713 119.070 0.208 0.000 3.026 373 H HA 0.653 5.206 4.556 -0.005 0.000 0.352 373 H C -1.830 173.566 175.328 0.112 0.000 1.090 373 H CA -1.185 55.005 56.048 0.236 0.000 1.268 373 H CB 1.596 31.346 29.762 -0.019 0.000 1.816 373 H HN 1.136 nan 8.280 nan 0.000 0.518 374 C N 4.947 124.187 119.300 -0.101 0.000 2.370 374 C HA 0.689 5.147 4.460 -0.005 0.000 0.354 374 C C -0.471 174.329 174.990 -0.317 0.000 1.218 374 C CA -0.226 58.649 59.018 -0.239 0.000 2.154 374 C CB -1.187 26.608 27.740 0.091 0.000 2.391 374 C HN 0.885 nan 8.230 nan 0.000 0.540 375 W N 1.627 122.782 121.300 -0.242 0.000 3.019 375 W HA 0.640 5.297 4.660 -0.005 0.000 0.412 375 W C -1.472 175.036 176.519 -0.018 0.000 1.087 375 W CA -0.767 56.502 57.345 -0.128 0.000 1.170 375 W CB 0.140 29.526 29.460 -0.125 0.000 1.483 375 W HN 0.433 nan 8.180 nan 0.000 0.606 376 N N 0.010 118.998 118.700 0.481 0.000 2.328 376 N HA 0.495 5.232 4.740 -0.005 0.000 0.299 376 N C -1.602 174.135 175.510 0.378 0.000 1.179 376 N CA -0.960 52.283 53.050 0.321 0.000 0.793 376 N CB 2.254 40.984 38.487 0.406 0.000 1.366 376 N HN 0.387 nan 8.380 nan 0.000 0.493 377 E N 0.324 120.627 120.200 0.172 0.000 2.234 377 E HA 0.720 5.067 4.350 -0.005 0.000 0.266 377 E C -1.355 175.447 176.600 0.337 0.000 0.877 377 E CA -1.036 55.492 56.400 0.213 0.000 0.758 377 E CB 2.147 31.793 29.700 -0.091 0.000 1.170 377 E HN 0.533 nan 8.360 nan 0.000 0.415 378 A N 3.182 126.267 122.820 0.440 0.000 2.356 378 A HA 0.378 4.695 4.320 -0.005 0.000 0.310 378 A C -1.517 176.251 177.584 0.307 0.000 1.075 378 A CA -0.692 51.551 52.037 0.344 0.000 0.746 378 A CB 1.104 20.204 19.000 0.167 0.000 1.221 378 A HN 0.713 nan 8.150 nan 0.000 0.443 379 W N 5.796 127.042 121.300 -0.089 0.000 2.322 379 W HA 0.604 5.262 4.660 -0.005 0.000 0.307 379 W C -0.920 175.453 176.519 -0.243 0.000 1.220 379 W CA -0.089 57.011 57.345 -0.407 0.000 1.210 379 W CB 1.119 30.100 29.460 -0.799 0.000 1.223 379 W HN 0.840 nan 8.180 nan 0.000 0.511 380 M N 4.005 123.234 119.600 -0.618 0.000 2.694 380 M HA 0.236 4.713 4.480 -0.005 0.000 0.276 380 M C -0.608 175.426 176.300 -0.443 0.000 1.167 380 M CA -0.637 54.437 55.300 -0.376 0.000 0.849 380 M CB 1.317 33.820 32.600 -0.161 0.000 1.705 380 M HN 0.262 nan 8.290 nan 0.000 0.504 381 T N -0.063 114.335 114.554 -0.260 0.000 2.748 381 T HA 0.491 4.838 4.350 -0.005 0.000 0.304 381 T C 0.095 174.717 174.700 -0.131 0.000 1.041 381 T CA -0.512 61.469 62.100 -0.197 0.000 1.033 381 T CB 0.541 69.352 68.868 -0.095 0.000 0.995 381 T HN 0.700 nan 8.240 nan 0.000 0.536 382 R N 1.929 122.366 120.500 -0.105 0.000 2.651 382 R HA 0.269 4.606 4.340 -0.005 0.000 0.282 382 R C -2.181 174.084 176.300 -0.058 0.000 1.565 382 R CA -2.193 53.868 56.100 -0.064 0.000 1.661 382 R CB 0.964 31.232 30.300 -0.053 0.000 1.189 382 R HN 0.563 nan 8.270 nan 0.000 0.621 383 P HA -0.092 nan 4.420 nan 0.000 0.225 383 P C 0.534 177.810 177.300 -0.040 0.000 1.156 383 P CA 0.831 63.909 63.100 -0.036 0.000 0.787 383 P CB 0.308 32.000 31.700 -0.014 0.000 0.802 384 D N -0.632 119.746 120.400 -0.037 0.000 2.378 384 D HA -0.069 4.568 4.640 -0.005 0.000 0.222 384 D C 0.733 176.974 176.300 -0.099 0.000 0.980 384 D CA 0.562 54.534 54.000 -0.047 0.000 0.907 384 D CB -0.326 40.455 40.800 -0.032 0.000 0.899 384 D HN 0.231 nan 8.370 nan 0.000 0.527 385 L N -0.373 120.769 121.223 -0.134 0.000 2.303 385 L HA 0.437 4.774 4.340 -0.005 0.000 0.266 385 L C -2.217 174.533 176.870 -0.201 0.000 1.011 385 L CA -2.464 52.214 54.840 -0.269 0.000 0.818 385 L CB 1.510 43.389 42.059 -0.301 0.000 1.326 385 L HN -0.353 nan 8.230 nan 0.000 0.435 386 P HA -0.055 nan 4.420 nan 0.000 0.269 386 P C -0.691 176.516 177.300 -0.155 0.000 1.205 386 P CA -0.245 62.767 63.100 -0.146 0.000 0.780 386 P CB 0.259 31.911 31.700 -0.080 0.000 0.858 387 V N -1.053 118.747 119.914 -0.190 0.000 3.096 387 V HA 0.503 4.620 4.120 -0.005 0.000 0.306 387 V C 1.356 177.184 176.094 -0.443 0.000 1.088 387 V CA 0.409 62.569 62.300 -0.233 0.000 1.129 387 V CB -0.120 31.601 31.823 -0.170 0.000 1.014 387 V HN 0.971 nan 8.190 nan 0.000 0.486 388 G N 2.061 110.607 108.800 -0.423 0.000 2.195 388 G HA2 -0.219 3.738 3.960 -0.005 0.000 0.224 388 G HA3 -0.219 3.738 3.960 -0.005 0.000 0.224 388 G C -0.065 174.462 174.900 -0.621 0.000 0.990 388 G CA 0.326 45.082 45.100 -0.574 0.000 0.639 388 G HN 0.880 nan 8.290 nan 0.000 0.514 389 F N 2.160 121.995 119.950 -0.192 0.000 2.639 389 F HA 0.519 5.043 4.527 -0.005 0.000 0.302 389 F C 1.753 177.427 175.800 -0.210 0.000 1.097 389 F CA -0.406 57.481 58.000 -0.188 0.000 1.294 389 F CB 0.410 39.283 39.000 -0.212 0.000 1.027 389 F HN 0.333 nan 8.300 nan 0.000 0.550 390 G N -0.676 108.041 108.800 -0.138 0.000 2.525 390 G HA2 0.543 4.500 3.960 -0.005 0.000 0.287 390 G HA3 0.543 4.500 3.960 -0.005 0.000 0.287 390 G C 0.503 175.115 174.900 -0.481 0.000 1.350 390 G CA 0.174 45.103 45.100 -0.286 0.000 1.039 390 G HN 0.575 nan 8.290 nan 0.000 0.513 391 G N -1.692 106.534 108.800 -0.955 0.000 2.501 391 G HA2 -0.144 3.813 3.960 -0.005 0.000 0.213 391 G HA3 -0.144 3.813 3.960 -0.005 0.000 0.213 391 G C -0.405 173.834 174.900 -1.100 0.000 1.158 391 G CA -0.284 43.791 45.100 -1.709 0.000 1.079 391 G HN 0.750 nan 8.290 nan 0.000 0.586 392 W N 1.989 123.073 121.300 -0.360 0.000 2.190 392 W HA 0.587 5.243 4.660 -0.006 0.000 0.330 392 W C 0.374 176.840 176.519 -0.089 0.000 1.299 392 W CA -0.260 57.046 57.345 -0.064 0.000 1.215 392 W CB 0.820 30.311 29.460 0.052 0.000 1.147 392 W HN 0.333 nan 8.180 nan 0.000 0.563 393 Q N 2.615 122.589 119.800 0.291 0.000 2.310 393 Q HA 0.463 4.800 4.340 -0.005 0.000 0.270 393 Q C -0.406 175.745 176.000 0.252 0.000 1.025 393 Q CA -0.791 55.124 55.803 0.187 0.000 0.772 393 Q CB 1.656 30.469 28.738 0.125 0.000 1.253 393 Q HN 0.546 nan 8.270 nan 0.000 0.450 394 A N 2.321 125.276 122.820 0.226 0.000 2.450 394 A HA 0.528 4.845 4.320 -0.005 0.000 0.255 394 A C -0.179 177.507 177.584 0.170 0.000 1.096 394 A CA -0.247 51.956 52.037 0.276 0.000 0.778 394 A CB 0.420 19.582 19.000 0.269 0.000 1.031 394 A HN 0.426 nan 8.150 nan 0.000 0.494 395 V N 3.557 123.605 119.914 0.224 0.000 2.482 395 V HA 0.331 4.448 4.120 -0.005 0.000 0.295 395 V C -0.951 175.217 176.094 0.124 0.000 1.026 395 V CA -0.655 61.735 62.300 0.150 0.000 0.856 395 V CB 1.777 33.763 31.823 0.272 0.000 1.001 395 V HN 0.927 nan 8.190 nan 0.000 0.424 396 D N 2.906 123.300 120.400 -0.010 0.000 2.453 396 D HA 0.271 4.908 4.640 -0.005 0.000 0.238 396 D C 1.175 177.487 176.300 0.020 0.000 1.088 396 D CA -0.057 53.985 54.000 0.071 0.000 0.854 396 D CB 2.071 42.878 40.800 0.011 0.000 1.076 396 D HN 0.521 nan 8.370 nan 0.000 0.533 397 S N 1.632 117.316 115.700 -0.026 0.000 2.515 397 S HA -0.047 4.421 4.470 -0.005 0.000 0.231 397 S C 0.814 175.393 174.600 -0.034 0.000 0.987 397 S CA 0.110 58.212 58.200 -0.163 0.000 0.936 397 S CB -0.397 62.600 63.200 -0.339 0.000 0.766 397 S HN 0.401 nan 8.310 nan 0.000 0.528 398 T N 5.022 119.741 114.554 0.275 0.000 2.769 398 T HA 0.360 4.707 4.350 -0.005 0.000 0.293 398 T C -2.572 172.320 174.700 0.319 0.000 0.931 398 T CA -0.979 61.397 62.100 0.461 0.000 1.139 398 T CB 0.824 70.029 68.868 0.562 0.000 0.881 398 T HN 0.236 nan 8.240 nan 0.000 0.532 399 P HA 0.264 nan 4.420 nan 0.000 0.274 399 P C -0.392 176.946 177.300 0.063 0.000 1.237 399 P CA -0.518 62.629 63.100 0.078 0.000 0.793 399 P CB 0.583 32.282 31.700 -0.001 0.000 0.977 400 Q N -0.934 118.782 119.800 -0.140 0.000 2.648 400 Q HA 0.500 4.837 4.340 -0.005 0.000 0.300 400 Q C -1.135 174.675 176.000 -0.316 0.000 0.954 400 Q CA -1.093 54.534 55.803 -0.292 0.000 0.757 400 Q CB 0.680 29.068 28.738 -0.584 0.000 1.482 400 Q HN 0.037 nan 8.270 nan 0.000 0.437 401 E N 1.892 121.903 120.200 -0.315 0.000 2.292 401 E HA 0.097 4.445 4.350 -0.005 0.000 0.265 401 E C -0.906 175.345 176.600 -0.581 0.000 1.093 401 E CA 0.465 56.673 56.400 -0.320 0.000 0.922 401 E CB 0.248 29.830 29.700 -0.197 0.000 1.001 401 E HN 0.617 nan 8.360 nan 0.000 0.444 402 N N 0.842 119.185 118.700 -0.596 0.000 3.312 402 N HA 0.172 4.909 4.740 -0.005 0.000 0.361 402 N C 0.559 175.843 175.510 -0.376 0.000 1.476 402 N CA 0.048 52.432 53.050 -1.110 0.000 0.669 402 N CB -0.321 37.638 38.487 -0.881 0.000 1.629 402 N HN 0.171 nan 8.380 nan 0.000 0.612 403 S N -2.040 113.615 115.700 -0.074 0.000 2.481 403 S HA -0.021 4.446 4.470 -0.005 0.000 0.231 403 S C 0.145 174.776 174.600 0.050 0.000 0.996 403 S CA 0.987 59.244 58.200 0.094 0.000 0.942 403 S CB -0.355 62.936 63.200 0.151 0.000 0.768 403 S HN 0.524 nan 8.310 nan 0.000 0.520 404 D N 0.701 121.131 120.400 0.049 0.000 2.423 404 D HA 0.462 5.099 4.640 -0.005 0.000 0.212 404 D C 1.065 177.490 176.300 0.208 0.000 1.060 404 D CA 1.030 55.100 54.000 0.115 0.000 0.872 404 D CB 0.931 41.772 40.800 0.067 0.000 1.012 404 D HN 0.571 nan 8.370 nan 0.000 0.503 405 G N 0.323 109.192 108.800 0.116 0.000 2.352 405 G HA2 0.119 4.076 3.960 -0.005 0.000 0.283 405 G HA3 0.119 4.076 3.960 -0.005 0.000 0.283 405 G C -1.469 173.249 174.900 -0.304 0.000 1.308 405 G CA -0.720 44.339 45.100 -0.070 0.000 0.892 405 G HN -0.010 nan 8.290 nan 0.000 0.504 406 M N 1.538 120.770 119.600 -0.613 0.000 2.725 406 M HA 0.718 5.195 4.480 -0.005 0.000 0.322 406 M C -1.569 174.304 176.300 -0.711 0.000 1.393 406 M CA -0.896 54.089 55.300 -0.524 0.000 1.452 406 M CB -1.452 30.922 32.600 -0.378 0.000 1.242 406 M HN 0.437 nan 8.290 nan 0.000 0.487 407 Y N 1.116 121.327 120.300 -0.148 0.000 2.677 407 Y HA 0.645 5.191 4.550 -0.005 0.000 0.334 407 Y C -0.181 175.629 175.900 -0.151 0.000 1.154 407 Y CA -1.440 56.575 58.100 -0.143 0.000 1.070 407 Y CB 0.844 39.214 38.460 -0.150 0.000 1.294 407 Y HN 0.584 nan 8.280 nan 0.000 0.475 408 R N -0.073 120.454 120.500 0.044 0.000 2.817 408 R HA 0.334 4.671 4.340 -0.005 0.000 0.264 408 R C -1.221 175.044 176.300 -0.058 0.000 1.009 408 R CA -0.204 55.865 56.100 -0.052 0.000 1.133 408 R CB -0.554 29.650 30.300 -0.160 0.000 1.013 408 R HN 0.509 nan 8.270 nan 0.000 0.453 409 C N 1.555 120.818 119.300 -0.062 0.000 2.455 409 C HA 0.954 5.412 4.460 -0.005 0.000 0.320 409 C C 0.462 175.438 174.990 -0.024 0.000 1.226 409 C CA 0.650 59.645 59.018 -0.038 0.000 1.569 409 C CB 0.679 28.401 27.740 -0.031 0.000 2.200 409 C HN 1.159 nan 8.230 nan 0.000 0.491 410 G N 4.205 113.029 108.800 0.040 0.000 2.408 410 G HA2 0.051 4.008 3.960 -0.005 0.000 0.682 410 G HA3 0.051 4.008 3.960 -0.005 0.000 0.682 410 G C -3.405 171.506 174.900 0.018 0.000 1.303 410 G CA -1.038 44.119 45.100 0.096 0.000 0.966 410 G HN 0.474 nan 8.290 nan 0.000 0.560 411 P HA 0.475 nan 4.420 nan 0.000 0.271 411 P C -0.241 177.229 177.300 0.284 0.000 1.220 411 P CA 0.678 63.911 63.100 0.223 0.000 0.768 411 P CB 1.269 33.098 31.700 0.215 0.000 0.848 412 A N 2.713 125.636 122.820 0.171 0.000 2.330 412 A HA 0.422 4.739 4.320 -0.005 0.000 0.313 412 A C 0.292 177.923 177.584 0.079 0.000 1.124 412 A CA -0.691 51.418 52.037 0.119 0.000 0.774 412 A CB 0.824 19.885 19.000 0.102 0.000 1.198 412 A HN 0.436 nan 8.150 nan 0.000 0.465 413 S N 2.350 118.066 115.700 0.028 0.000 2.555 413 S HA 0.119 4.586 4.470 -0.005 0.000 0.293 413 S C 1.491 176.099 174.600 0.013 0.000 1.248 413 S CA -0.163 58.046 58.200 0.016 0.000 1.096 413 S CB -0.152 63.038 63.200 -0.017 0.000 0.881 413 S HN 0.782 nan 8.310 nan 0.000 0.498 414 V N 5.967 125.870 119.914 -0.019 0.000 2.324 414 V HA -0.200 3.917 4.120 -0.005 0.000 0.250 414 V C 2.740 178.789 176.094 -0.076 0.000 1.060 414 V CA 1.893 64.080 62.300 -0.188 0.000 1.042 414 V CB -0.676 30.932 31.823 -0.359 0.000 0.650 414 V HN 0.800 nan 8.190 nan 0.000 0.450 415 Q N -0.557 119.284 119.800 0.069 0.000 2.084 415 Q HA -0.141 4.196 4.340 -0.005 0.000 0.202 415 Q C 2.454 178.671 176.000 0.361 0.000 0.978 415 Q CA 1.896 57.835 55.803 0.227 0.000 0.844 415 Q CB -0.498 28.417 28.738 0.295 0.000 0.898 415 Q HN 0.681 nan 8.270 nan 0.000 0.426 416 A N 0.673 123.607 122.820 0.190 0.000 1.930 416 A HA -0.133 4.184 4.320 -0.005 0.000 0.217 416 A C 2.135 179.778 177.584 0.098 0.000 1.175 416 A CA 0.923 52.893 52.037 -0.112 0.000 0.627 416 A CB -0.598 18.080 19.000 -0.537 0.000 0.815 416 A HN 0.303 nan 8.150 nan 0.000 0.443 417 I N -0.463 120.181 120.570 0.122 0.000 2.226 417 I HA -0.279 3.889 4.170 -0.005 0.000 0.245 417 I C 2.520 178.821 176.117 0.308 0.000 1.100 417 I CA 1.892 63.347 61.300 0.258 0.000 1.374 417 I CB -0.194 37.935 38.000 0.215 0.000 1.057 417 I HN 0.354 nan 8.210 nan 0.000 0.413 418 K N 0.227 120.711 120.400 0.140 0.000 2.209 418 K HA -0.203 4.114 4.320 -0.005 0.000 0.204 418 K C 1.505 178.131 176.600 0.044 0.000 1.048 418 K CA 1.594 57.873 56.287 -0.014 0.000 0.940 418 K CB -0.045 32.305 32.500 -0.250 0.000 0.729 418 K HN 0.434 nan 8.250 nan 0.000 0.451 419 H N -1.771 117.440 119.070 0.235 0.000 2.551 419 H HA 0.213 4.766 4.556 -0.005 0.000 0.271 419 H C 0.799 176.320 175.328 0.322 0.000 0.984 419 H CA 0.587 56.791 56.048 0.259 0.000 1.164 419 H CB 1.161 30.913 29.762 -0.017 0.000 1.437 419 H HN 0.461 nan 8.280 nan 0.000 0.550 420 G N 0.685 109.739 108.800 0.423 0.000 2.148 420 G HA2 -0.326 3.631 3.960 -0.005 0.000 0.254 420 G HA3 -0.326 3.631 3.960 -0.005 0.000 0.254 420 G C -0.069 174.977 174.900 0.243 0.000 0.981 420 G CA 0.020 45.259 45.100 0.231 0.000 0.670 420 G HN 0.646 nan 8.290 nan 0.000 0.528 421 H N 0.400 119.509 119.070 0.065 0.000 2.745 421 H HA 0.337 4.890 4.556 -0.004 0.000 0.235 421 H C 1.573 176.768 175.328 -0.222 0.000 1.815 421 H CA 0.022 56.030 56.048 -0.067 0.000 1.321 421 H CB 0.502 30.291 29.762 0.044 0.000 1.716 421 H HN 0.405 nan 8.280 nan 0.000 0.546 422 V N -1.246 118.579 119.914 -0.147 0.000 3.647 422 V HA -0.089 4.029 4.120 -0.005 0.000 0.279 422 V C 2.129 178.066 176.094 -0.262 0.000 1.314 422 V CA 0.206 62.399 62.300 -0.178 0.000 1.125 422 V CB -0.898 30.790 31.823 -0.226 0.000 0.907 422 V HN 0.736 nan 8.190 nan 0.000 0.434 423 C N -1.076 117.936 119.300 -0.479 0.000 2.430 423 C HA 0.196 4.653 4.460 -0.005 0.000 0.288 423 C C 0.934 175.524 174.990 -0.666 0.000 1.448 423 C CA -0.515 58.125 59.018 -0.630 0.000 1.784 423 C CB -2.096 25.034 27.740 -1.017 0.000 1.776 423 C HN 0.401 nan 8.230 nan 0.000 0.547 424 F N 2.899 122.673 119.950 -0.294 0.000 2.404 424 F HA 0.392 4.917 4.527 -0.005 0.000 0.345 424 F C 0.907 176.522 175.800 -0.308 0.000 1.110 424 F CA -0.923 56.892 58.000 -0.309 0.000 1.130 424 F CB 0.539 39.319 39.000 -0.366 0.000 1.129 424 F HN 0.335 nan 8.300 nan 0.000 0.500 425 Q N 1.726 121.380 119.800 -0.243 0.000 2.432 425 Q HA 0.343 4.681 4.340 -0.005 0.000 0.264 425 Q C -1.618 174.119 176.000 -0.437 0.000 1.035 425 Q CA 0.062 55.526 55.803 -0.566 0.000 0.908 425 Q CB 0.471 28.466 28.738 -1.238 0.000 1.280 425 Q HN 0.472 nan 8.270 nan 0.000 0.455 426 F N 0.422 120.389 119.950 0.028 0.000 2.495 426 F HA 0.252 4.777 4.527 -0.004 0.000 0.327 426 F C -0.139 175.694 175.800 0.054 0.000 1.103 426 F CA -0.900 57.118 58.000 0.031 0.000 0.949 426 F CB 1.572 40.580 39.000 0.013 0.000 1.142 426 F HN 0.717 nan 8.300 nan 0.000 0.457 427 D N 0.806 121.363 120.400 0.261 0.000 2.911 427 D HA -0.239 4.399 4.640 -0.005 0.000 0.227 427 D C 1.310 177.771 176.300 0.269 0.000 1.164 427 D CA 0.874 55.075 54.000 0.336 0.000 0.782 427 D CB -1.131 39.825 40.800 0.259 0.000 1.094 427 D HN 0.660 nan 8.370 nan 0.000 0.425 428 A N -0.241 122.655 122.820 0.126 0.000 1.972 428 A HA -0.037 4.280 4.320 -0.005 0.000 0.219 428 A C -0.134 177.465 177.584 0.026 0.000 1.169 428 A CA 1.402 53.483 52.037 0.073 0.000 0.635 428 A CB -0.770 18.239 19.000 0.015 0.000 0.810 428 A HN 0.286 nan 8.150 nan 0.000 0.446 429 P HA -0.128 nan 4.420 nan 0.000 0.216 429 P C 0.966 178.075 177.300 -0.319 0.000 1.153 429 P CA 0.999 63.904 63.100 -0.324 0.000 0.848 429 P CB -0.221 31.131 31.700 -0.581 0.000 0.787 430 F N -0.942 119.021 119.950 0.021 0.000 2.134 430 F HA -0.146 4.378 4.527 -0.004 0.000 0.299 430 F C 2.249 178.025 175.800 -0.040 0.000 1.097 430 F CA 1.106 59.092 58.000 -0.023 0.000 1.264 430 F CB -1.730 37.228 39.000 -0.070 0.000 1.001 430 F HN -0.249 nan 8.300 nan 0.000 0.479 431 V N -0.936 119.041 119.914 0.106 0.000 2.649 431 V HA -0.210 3.908 4.120 -0.005 0.000 0.248 431 V C 2.062 178.202 176.094 0.077 0.000 1.054 431 V CA 1.036 63.317 62.300 -0.031 0.000 1.073 431 V CB -0.837 30.938 31.823 -0.080 0.000 0.699 431 V HN 0.278 nan 8.190 nan 0.000 0.463 432 F N 2.118 122.069 119.950 0.003 0.000 2.095 432 F HA -0.180 4.345 4.527 -0.005 0.000 0.298 432 F C 2.307 178.120 175.800 0.022 0.000 1.104 432 F CA 1.665 59.686 58.000 0.035 0.000 1.232 432 F CB -0.409 38.596 39.000 0.010 0.000 0.987 432 F HN 0.087 nan 8.300 nan 0.000 0.475 433 A N -0.475 122.483 122.820 0.229 0.000 2.015 433 A HA -0.189 4.128 4.320 -0.005 0.000 0.219 433 A C 1.989 179.596 177.584 0.038 0.000 1.163 433 A CA 1.551 53.660 52.037 0.120 0.000 0.646 433 A CB -0.875 18.179 19.000 0.090 0.000 0.806 433 A HN 0.511 nan 8.150 nan 0.000 0.448 434 E N -0.160 120.055 120.200 0.026 0.000 2.204 434 E HA -0.128 4.219 4.350 -0.005 0.000 0.195 434 E C 1.474 178.113 176.600 0.065 0.000 0.990 434 E CA 1.700 58.121 56.400 0.035 0.000 0.821 434 E CB -0.049 29.639 29.700 -0.020 0.000 0.750 434 E HN 0.603 nan 8.360 nan 0.000 0.477 435 V N -3.374 116.541 119.914 0.002 0.000 3.502 435 V HA 0.364 4.482 4.120 -0.005 0.000 0.288 435 V C 0.786 176.834 176.094 -0.077 0.000 1.461 435 V CA -0.029 62.270 62.300 -0.002 0.000 1.029 435 V CB 0.347 32.163 31.823 -0.012 0.000 0.843 435 V HN 0.091 nan 8.190 nan 0.000 0.438 436 N N 0.635 119.237 118.700 -0.162 0.000 2.159 436 N HA 0.259 4.996 4.740 -0.005 0.000 0.217 436 N C 0.432 175.911 175.510 -0.052 0.000 1.223 436 N CA 0.154 53.084 53.050 -0.199 0.000 0.896 436 N CB 1.087 39.230 38.487 -0.573 0.000 1.064 436 N HN 0.405 nan 8.380 nan 0.000 0.518 437 S N 1.162 116.862 115.700 0.001 0.000 2.584 437 S HA 0.125 4.593 4.470 -0.005 0.000 0.270 437 S C -0.057 174.568 174.600 0.042 0.000 1.346 437 S CA 0.016 58.237 58.200 0.036 0.000 1.018 437 S CB 0.852 64.076 63.200 0.041 0.000 0.899 437 S HN 0.097 nan 8.310 nan 0.000 0.542 438 D N 1.025 121.443 120.400 0.030 0.000 2.181 438 D HA 0.394 5.032 4.640 -0.005 0.000 0.248 438 D C -0.243 176.039 176.300 -0.030 0.000 1.020 438 D CA -0.421 53.591 54.000 0.020 0.000 0.891 438 D CB 0.857 41.666 40.800 0.015 0.000 1.187 438 D HN 0.283 nan 8.370 nan 0.000 0.443 439 L N 1.904 123.092 121.223 -0.059 0.000 2.331 439 L HA 0.321 4.658 4.340 -0.005 0.000 0.278 439 L C -0.127 176.586 176.870 -0.262 0.000 1.106 439 L CA -0.431 54.280 54.840 -0.214 0.000 0.824 439 L CB 0.557 42.444 42.059 -0.287 0.000 1.142 439 L HN 0.134 nan 8.230 nan 0.000 0.443 440 I N 3.680 124.031 120.570 -0.364 0.000 2.382 440 I HA 0.247 4.414 4.170 -0.005 0.000 0.286 440 I C -0.636 175.220 176.117 -0.436 0.000 1.002 440 I CA -0.515 60.615 61.300 -0.283 0.000 1.135 440 I CB 1.197 39.077 38.000 -0.200 0.000 1.288 440 I HN 0.396 nan 8.210 nan 0.000 0.448 441 Y N 6.587 126.815 120.300 -0.120 0.000 2.385 441 Y HA 0.524 5.072 4.550 -0.005 0.000 0.341 441 Y C 0.359 176.182 175.900 -0.127 0.000 0.965 441 Y CA -0.320 57.699 58.100 -0.135 0.000 1.180 441 Y CB 1.170 39.585 38.460 -0.074 0.000 1.139 441 Y HN 0.356 nan 8.280 nan 0.000 0.502 442 I N 2.827 123.350 120.570 -0.079 0.000 2.465 442 I HA 0.308 4.475 4.170 -0.005 0.000 0.291 442 I C -0.282 175.852 176.117 0.028 0.000 1.014 442 I CA -0.767 60.503 61.300 -0.049 0.000 1.093 442 I CB 2.044 39.956 38.000 -0.147 0.000 1.267 442 I HN 0.436 nan 8.210 nan 0.000 0.431 443 T N 5.147 119.732 114.554 0.050 0.000 2.749 443 T HA 0.423 4.770 4.350 -0.005 0.000 0.295 443 T C 0.202 174.929 174.700 0.046 0.000 0.936 443 T CA -0.408 61.722 62.100 0.050 0.000 1.060 443 T CB 0.912 69.806 68.868 0.045 0.000 0.904 443 T HN 0.656 nan 8.240 nan 0.000 0.500 444 A N 4.979 127.805 122.820 0.010 0.000 2.316 444 A HA 0.391 4.708 4.320 -0.005 0.000 0.311 444 A C 0.530 178.146 177.584 0.053 0.000 1.339 444 A CA -0.683 51.344 52.037 -0.017 0.000 0.960 444 A CB 0.122 19.030 19.000 -0.153 0.000 1.152 444 A HN 0.741 nan 8.150 nan 0.000 0.547 445 K N 1.572 122.034 120.400 0.104 0.000 2.168 445 K HA 0.149 4.466 4.320 -0.005 0.000 0.258 445 K C 0.480 177.104 176.600 0.040 0.000 1.010 445 K CA -0.340 55.983 56.287 0.060 0.000 0.929 445 K CB 1.132 33.668 32.500 0.061 0.000 0.998 445 K HN 0.648 nan 8.250 nan 0.000 0.479 446 K N 1.059 121.470 120.400 0.019 0.000 2.362 446 K HA -0.128 4.189 4.320 -0.005 0.000 0.200 446 K C 1.021 177.624 176.600 0.006 0.000 1.046 446 K CA 1.379 57.670 56.287 0.007 0.000 0.952 446 K CB -0.027 32.473 32.500 0.001 0.000 0.753 446 K HN 0.584 nan 8.250 nan 0.000 0.466 447 D N -0.147 120.259 120.400 0.010 0.000 2.363 447 D HA -0.037 4.600 4.640 -0.005 0.000 0.220 447 D C 1.195 177.494 176.300 -0.003 0.000 0.994 447 D CA 0.937 54.939 54.000 0.003 0.000 0.890 447 D CB 0.062 40.865 40.800 0.004 0.000 0.906 447 D HN 0.273 nan 8.370 nan 0.000 0.530 448 G N -0.222 108.583 108.800 0.008 0.000 2.176 448 G HA2 -0.255 3.703 3.960 -0.005 0.000 0.232 448 G HA3 -0.255 3.703 3.960 -0.005 0.000 0.232 448 G C 0.515 175.395 174.900 -0.034 0.000 0.986 448 G CA 0.428 45.522 45.100 -0.010 0.000 0.643 448 G HN 0.765 nan 8.290 nan 0.000 0.522 449 T N -1.794 112.767 114.554 0.011 0.000 2.816 449 T HA 0.637 4.984 4.350 -0.005 0.000 0.282 449 T C -0.129 174.683 174.700 0.186 0.000 0.993 449 T CA -0.109 61.998 62.100 0.012 0.000 0.994 449 T CB 1.604 70.487 68.868 0.025 0.000 1.025 449 T HN 0.427 nan 8.240 nan 0.000 0.529 450 H N -1.281 117.810 119.070 0.035 0.000 2.667 450 H HA 0.651 5.204 4.556 -0.005 0.000 0.353 450 H C -1.263 174.104 175.328 0.064 0.000 1.072 450 H CA -1.099 54.992 56.048 0.071 0.000 1.214 450 H CB 2.190 32.019 29.762 0.111 0.000 1.600 450 H HN 0.523 nan 8.280 nan 0.000 0.527 451 V N 4.607 124.626 119.914 0.175 0.000 2.577 451 V HA 0.251 4.369 4.120 -0.005 0.000 0.303 451 V C -0.711 175.431 176.094 0.080 0.000 1.042 451 V CA -0.639 61.725 62.300 0.107 0.000 0.872 451 V CB 1.698 33.567 31.823 0.077 0.000 0.998 451 V HN 0.526 nan 8.190 nan 0.000 0.423 452 V N 7.570 127.525 119.914 0.067 0.000 2.529 452 V HA 0.263 4.380 4.120 -0.005 0.000 0.292 452 V C 0.969 177.092 176.094 0.047 0.000 1.028 452 V CA 0.182 62.510 62.300 0.047 0.000 1.074 452 V CB 0.880 32.727 31.823 0.039 0.000 0.958 452 V HN 1.001 nan 8.190 nan 0.000 0.481 453 E N 3.346 123.580 120.200 0.056 0.000 2.134 453 E HA 0.141 4.488 4.350 -0.005 0.000 0.194 453 E C 0.408 177.042 176.600 0.056 0.000 0.937 453 E CA 0.589 57.021 56.400 0.052 0.000 0.874 453 E CB 0.336 30.068 29.700 0.054 0.000 0.853 453 E HN 0.921 nan 8.360 nan 0.000 0.471 454 N N -0.540 118.220 118.700 0.100 0.000 3.020 454 N HA 0.224 4.961 4.740 -0.005 0.000 0.248 454 N C -1.207 174.396 175.510 0.154 0.000 1.480 454 N CA -0.586 52.523 53.050 0.099 0.000 0.874 454 N CB 2.519 41.049 38.487 0.072 0.000 1.433 454 N HN -0.045 nan 8.380 nan 0.000 0.530 455 V N -1.122 118.863 119.914 0.118 0.000 2.656 455 V HA 0.558 4.675 4.120 -0.005 0.000 0.307 455 V C -1.533 174.630 176.094 0.115 0.000 1.051 455 V CA -0.539 61.822 62.300 0.102 0.000 0.893 455 V CB 1.605 33.457 31.823 0.048 0.000 0.999 455 V HN 0.819 nan 8.190 nan 0.000 0.426 456 D N 4.690 125.162 120.400 0.120 0.000 2.392 456 D HA 0.678 5.315 4.640 -0.005 0.000 0.228 456 D C 0.454 176.808 176.300 0.090 0.000 1.074 456 D CA 0.165 54.241 54.000 0.126 0.000 0.838 456 D CB 1.881 42.789 40.800 0.180 0.000 1.067 456 D HN 0.860 nan 8.370 nan 0.000 0.511 457 A N 2.727 125.599 122.820 0.087 0.000 2.348 457 A HA 0.133 4.450 4.320 -0.005 0.000 0.224 457 A C 1.179 178.818 177.584 0.093 0.000 1.227 457 A CA 0.367 52.451 52.037 0.079 0.000 0.885 457 A CB -0.017 19.023 19.000 0.067 0.000 0.933 457 A HN 0.522 nan 8.150 nan 0.000 0.506 458 T N -4.731 109.893 114.554 0.116 0.000 3.252 458 T HA 0.267 4.615 4.350 -0.005 0.000 0.286 458 T C 0.738 175.545 174.700 0.177 0.000 1.013 458 T CA 0.328 62.501 62.100 0.121 0.000 0.914 458 T CB -0.363 68.565 68.868 0.100 0.000 1.131 458 T HN 0.471 nan 8.240 nan 0.000 0.529 459 H N 0.796 119.913 119.070 0.077 0.000 2.393 459 H HA 0.510 5.063 4.556 -0.004 0.000 0.301 459 H C 0.345 175.792 175.328 0.199 0.000 1.019 459 H CA -0.194 55.906 56.048 0.087 0.000 1.311 459 H CB 0.139 29.869 29.762 -0.053 0.000 1.475 459 H HN 0.315 nan 8.280 nan 0.000 0.572 460 I N 1.618 122.308 120.570 0.200 0.000 2.618 460 I HA 0.108 4.275 4.170 -0.005 0.000 0.284 460 I C 1.134 177.333 176.117 0.136 0.000 1.146 460 I CA 1.098 62.504 61.300 0.176 0.000 1.425 460 I CB 0.882 38.975 38.000 0.155 0.000 1.383 460 I HN 0.749 nan 8.210 nan 0.000 0.562 461 G N 4.800 113.688 108.800 0.147 0.000 2.221 461 G HA2 -0.329 3.628 3.960 -0.005 0.000 0.265 461 G HA3 -0.329 3.628 3.960 -0.005 0.000 0.265 461 G C 0.988 175.927 174.900 0.066 0.000 1.041 461 G CA 0.538 45.685 45.100 0.079 0.000 0.807 461 G HN 0.772 nan 8.290 nan 0.000 0.502 462 K N -1.428 119.033 120.400 0.101 0.000 2.057 462 K HA 0.185 4.502 4.320 -0.005 0.000 0.207 462 K C 0.893 177.511 176.600 0.030 0.000 1.049 462 K CA 1.459 57.792 56.287 0.078 0.000 0.931 462 K CB -0.015 32.553 32.500 0.114 0.000 0.714 462 K HN 0.554 nan 8.250 nan 0.000 0.440 463 L N 0.303 121.545 121.223 0.032 0.000 2.482 463 L HA 0.450 4.788 4.340 -0.005 0.000 0.263 463 L C -1.835 175.063 176.870 0.046 0.000 0.957 463 L CA -0.479 54.368 54.840 0.012 0.000 0.836 463 L CB 2.082 44.116 42.059 -0.041 0.000 1.324 463 L HN -0.046 nan 8.230 nan 0.000 0.406 464 I N 5.688 126.231 120.570 -0.045 0.000 2.468 464 I HA 0.628 4.795 4.170 -0.005 0.000 0.285 464 I C -0.660 175.353 176.117 -0.173 0.000 1.039 464 I CA -0.882 60.322 61.300 -0.159 0.000 1.074 464 I CB 1.934 39.796 38.000 -0.231 0.000 1.228 464 I HN 0.468 nan 8.210 nan 0.000 0.436 465 V N 1.768 121.541 119.914 -0.235 0.000 3.074 465 V HA 0.853 4.971 4.120 -0.005 0.000 0.314 465 V C -0.577 175.345 176.094 -0.287 0.000 1.117 465 V CA -0.374 61.747 62.300 -0.297 0.000 1.014 465 V CB 2.074 33.615 31.823 -0.469 0.000 1.057 465 V HN 0.737 nan 8.190 nan 0.000 0.438 466 T N 0.777 115.181 114.554 -0.249 0.000 2.868 466 T HA 0.401 4.748 4.350 -0.005 0.000 0.306 466 T C -0.748 174.002 174.700 0.084 0.000 1.224 466 T CA -0.652 61.413 62.100 -0.059 0.000 1.012 466 T CB 1.829 70.630 68.868 -0.112 0.000 1.221 466 T HN 1.280 nan 8.240 nan 0.000 0.499 467 K N 2.287 122.882 120.400 0.325 0.000 2.469 467 K HA 0.133 4.450 4.320 -0.005 0.000 0.274 467 K C 0.449 177.153 176.600 0.173 0.000 0.983 467 K CA -0.101 56.387 56.287 0.334 0.000 0.974 467 K CB 0.377 33.033 32.500 0.260 0.000 0.913 467 K HN 0.697 nan 8.250 nan 0.000 0.493 468 Q N 2.846 122.722 119.800 0.127 0.000 2.312 468 Q HA 0.121 4.459 4.340 -0.005 0.000 0.236 468 Q C 0.828 176.840 176.000 0.021 0.000 0.965 468 Q CA -0.493 55.345 55.803 0.059 0.000 0.894 468 Q CB 0.926 29.686 28.738 0.036 0.000 1.225 468 Q HN 0.687 nan 8.270 nan 0.000 0.478 469 I N 1.585 122.137 120.570 -0.030 0.000 2.179 469 I HA -0.225 3.942 4.170 -0.005 0.000 0.242 469 I C 2.151 178.222 176.117 -0.077 0.000 1.088 469 I CA 1.614 62.842 61.300 -0.120 0.000 1.357 469 I CB -0.771 37.136 38.000 -0.155 0.000 1.051 469 I HN 1.036 nan 8.210 nan 0.000 0.409 470 G N -0.035 108.741 108.800 -0.040 0.000 2.628 470 G HA2 -0.042 3.915 3.960 -0.005 0.000 0.217 470 G HA3 -0.042 3.915 3.960 -0.005 0.000 0.217 470 G C 0.917 175.811 174.900 -0.010 0.000 1.240 470 G CA 1.165 46.252 45.100 -0.022 0.000 0.792 470 G HN 0.546 nan 8.290 nan 0.000 0.593 471 G N -1.590 107.215 108.800 0.009 0.000 3.187 471 G HA2 0.409 4.367 3.960 -0.005 0.000 0.175 471 G HA3 0.409 4.367 3.960 -0.005 0.000 0.175 471 G C -0.549 174.373 174.900 0.036 0.000 1.112 471 G CA 0.407 45.520 45.100 0.023 0.000 0.821 471 G HN -0.015 nan 8.290 nan 0.000 0.636 472 D N 0.503 120.931 120.400 0.047 0.000 2.328 472 D HA 0.260 4.898 4.640 -0.005 0.000 0.221 472 D C 1.318 177.684 176.300 0.111 0.000 1.072 472 D CA 0.258 54.289 54.000 0.052 0.000 0.850 472 D CB 0.217 41.030 40.800 0.022 0.000 0.922 472 D HN 0.421 nan 8.370 nan 0.000 0.516 473 G N 0.158 109.021 108.800 0.106 0.000 2.599 473 G HA2 0.294 4.251 3.960 -0.005 0.000 0.264 473 G HA3 0.294 4.251 3.960 -0.005 0.000 0.264 473 G C -0.180 174.829 174.900 0.182 0.000 1.200 473 G CA -0.568 44.601 45.100 0.114 0.000 0.896 473 G HN 0.117 nan 8.290 nan 0.000 0.536 474 M N 1.157 120.793 119.600 0.060 0.000 2.144 474 M HA 0.494 4.972 4.480 -0.005 0.000 0.356 474 M C -0.218 175.966 176.300 -0.192 0.000 1.217 474 M CA -0.425 54.734 55.300 -0.234 0.000 1.087 474 M CB 1.048 33.376 32.600 -0.453 0.000 1.609 474 M HN 0.545 nan 8.290 nan 0.000 0.467 475 M N 4.558 124.040 119.600 -0.196 0.000 2.300 475 M HA 0.287 4.765 4.480 -0.005 0.000 0.348 475 M C -1.088 175.109 176.300 -0.172 0.000 1.151 475 M CA -0.517 54.706 55.300 -0.128 0.000 1.046 475 M CB 1.165 33.737 32.600 -0.047 0.000 1.647 475 M HN 0.570 nan 8.290 nan 0.000 0.451 476 D N 5.504 125.830 120.400 -0.123 0.000 2.313 476 D HA 0.262 4.899 4.640 -0.005 0.000 0.239 476 D C 0.078 176.340 176.300 -0.064 0.000 1.142 476 D CA -0.281 53.652 54.000 -0.111 0.000 0.847 476 D CB 0.498 41.243 40.800 -0.090 0.000 1.082 476 D HN 0.690 nan 8.370 nan 0.000 0.480 477 I N 0.642 121.174 120.570 -0.063 0.000 3.856 477 I HA 0.180 4.347 4.170 -0.005 0.000 0.330 477 I C 1.012 177.155 176.117 0.044 0.000 1.546 477 I CA -0.568 60.726 61.300 -0.009 0.000 1.132 477 I CB 0.380 38.371 38.000 -0.015 0.000 1.157 477 I HN 0.024 nan 8.210 nan 0.000 0.440 478 T N 1.816 116.374 114.554 0.006 0.000 2.699 478 T HA -0.228 4.119 4.350 -0.005 0.000 0.268 478 T C 1.418 176.148 174.700 0.050 0.000 1.036 478 T CA 2.627 64.741 62.100 0.024 0.000 1.147 478 T CB -0.463 68.403 68.868 -0.002 0.000 0.862 478 T HN 0.784 nan 8.240 nan 0.000 0.446 479 D N 1.515 121.924 120.400 0.016 0.000 2.350 479 D HA -0.094 4.543 4.640 -0.005 0.000 0.216 479 D C 2.035 178.288 176.300 -0.079 0.000 0.968 479 D CA 1.347 55.331 54.000 -0.027 0.000 0.894 479 D CB -0.632 40.160 40.800 -0.014 0.000 0.909 479 D HN 0.525 nan 8.370 nan 0.000 0.520 480 T N -2.952 111.599 114.554 -0.004 0.000 2.942 480 T HA -0.127 4.220 4.350 -0.005 0.000 0.265 480 T C 1.668 176.301 174.700 -0.112 0.000 1.062 480 T CA 0.573 62.644 62.100 -0.049 0.000 1.139 480 T CB -0.710 68.159 68.868 0.001 0.000 0.883 480 T HN 0.210 nan 8.240 nan 0.000 0.468 481 Y N 2.640 122.902 120.300 -0.063 0.000 2.420 481 Y HA 0.305 4.852 4.550 -0.005 0.000 0.292 481 Y C 0.930 176.753 175.900 -0.127 0.000 1.119 481 Y CA 0.168 58.242 58.100 -0.043 0.000 1.229 481 Y CB 0.248 38.722 38.460 0.024 0.000 1.026 481 Y HN 0.353 nan 8.280 nan 0.000 0.554 482 K N -1.208 119.170 120.400 -0.036 0.000 2.523 482 K HA 0.346 4.663 4.320 -0.005 0.000 0.257 482 K C -1.424 175.074 176.600 -0.169 0.000 0.932 482 K CA -0.842 55.385 56.287 -0.101 0.000 0.812 482 K CB 1.366 33.858 32.500 -0.012 0.000 1.326 482 K HN -0.274 nan 8.250 nan 0.000 0.433 483 F N 1.474 121.423 119.950 -0.002 0.000 2.480 483 F HA 0.088 4.613 4.527 -0.004 0.000 0.319 483 F C 1.312 177.121 175.800 0.015 0.000 1.230 483 F CA -0.025 57.975 58.000 -0.001 0.000 1.285 483 F CB 0.518 39.511 39.000 -0.013 0.000 1.208 483 F HN 0.530 nan 8.300 nan 0.000 0.579 484 Q N 1.163 121.122 119.800 0.265 0.000 2.311 484 Q HA 0.047 4.384 4.340 -0.005 0.000 0.272 484 Q C -0.634 175.439 176.000 0.121 0.000 1.012 484 Q CA -0.209 55.681 55.803 0.145 0.000 0.891 484 Q CB 0.341 29.148 28.738 0.116 0.000 1.201 484 Q HN 0.462 nan 8.270 nan 0.000 0.391 485 E N 2.550 122.805 120.200 0.091 0.000 2.417 485 E HA 0.153 4.501 4.350 -0.005 0.000 0.261 485 E C 0.657 177.295 176.600 0.064 0.000 1.000 485 E CA 0.444 56.891 56.400 0.077 0.000 0.919 485 E CB 0.406 30.145 29.700 0.066 0.000 0.955 485 E HN 0.958 nan 8.360 nan 0.000 0.455 486 G N 2.284 111.119 108.800 0.058 0.000 2.391 486 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.204 486 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.204 486 G C 0.319 175.240 174.900 0.034 0.000 1.012 486 G CA -0.343 44.784 45.100 0.044 0.000 0.651 486 G HN 0.474 nan 8.290 nan 0.000 0.494 487 Q N -0.004 119.815 119.800 0.032 0.000 2.194 487 Q HA 0.517 4.854 4.340 -0.005 0.000 0.245 487 Q C 1.315 177.304 176.000 -0.019 0.000 0.993 487 Q CA -0.025 55.781 55.803 0.006 0.000 0.930 487 Q CB 1.786 30.525 28.738 0.002 0.000 1.238 487 Q HN 0.187 nan 8.270 nan 0.000 0.486 488 E N 1.135 121.306 120.200 -0.048 0.000 2.051 488 E HA -0.227 4.120 4.350 -0.005 0.000 0.192 488 E C 1.208 177.740 176.600 -0.114 0.000 0.991 488 E CA 2.154 58.518 56.400 -0.060 0.000 0.799 488 E CB 0.158 29.824 29.700 -0.057 0.000 0.748 488 E HN 0.545 nan 8.360 nan 0.000 0.449 489 E N 0.690 120.728 120.200 -0.270 0.000 2.077 489 E HA -0.187 4.160 4.350 -0.005 0.000 0.193 489 E C 2.000 178.431 176.600 -0.282 0.000 0.989 489 E CA 1.463 57.532 56.400 -0.553 0.000 0.800 489 E CB -0.322 28.465 29.700 -1.521 0.000 0.746 489 E HN 0.467 nan 8.360 nan 0.000 0.452 490 E N 0.768 120.922 120.200 -0.077 0.000 2.110 490 E HA -0.231 4.116 4.350 -0.005 0.000 0.193 490 E C 2.178 178.850 176.600 0.121 0.000 0.988 490 E CA 0.812 57.301 56.400 0.149 0.000 0.804 490 E CB 0.042 29.843 29.700 0.169 0.000 0.745 490 E HN 0.091 nan 8.360 nan 0.000 0.458 491 R N 0.355 120.891 120.500 0.061 0.000 2.115 491 R HA -0.115 4.223 4.340 -0.005 0.000 0.226 491 R C 2.528 178.877 176.300 0.081 0.000 1.100 491 R CA 0.784 56.925 56.100 0.069 0.000 0.980 491 R CB -0.177 30.147 30.300 0.039 0.000 0.875 491 R HN 0.234 nan 8.270 nan 0.000 0.445 492 L N 0.737 121.998 121.223 0.064 0.000 2.093 492 L HA 0.009 4.347 4.340 -0.005 0.000 0.208 492 L C 2.198 179.167 176.870 0.166 0.000 1.085 492 L CA 1.978 56.874 54.840 0.093 0.000 0.755 492 L CB -0.560 41.544 42.059 0.075 0.000 0.904 492 L HN 0.167 nan 8.230 nan 0.000 0.435 493 A N -0.559 122.393 122.820 0.219 0.000 1.873 493 A HA -0.187 4.130 4.320 -0.005 0.000 0.215 493 A C 2.239 180.003 177.584 0.300 0.000 1.186 493 A CA 1.849 54.080 52.037 0.324 0.000 0.616 493 A CB -1.014 18.232 19.000 0.410 0.000 0.823 493 A HN 0.480 nan 8.150 nan 0.000 0.442 494 L N 0.183 121.581 121.223 0.292 0.000 2.046 494 L HA -0.154 4.183 4.340 -0.005 0.000 0.208 494 L C 2.298 179.231 176.870 0.104 0.000 1.077 494 L CA 2.713 57.708 54.840 0.257 0.000 0.747 494 L CB -0.572 41.624 42.059 0.228 0.000 0.896 494 L HN 0.615 nan 8.230 nan 0.000 0.432 495 E N -1.186 119.064 120.200 0.084 0.000 2.085 495 E HA -0.231 4.116 4.350 -0.005 0.000 0.194 495 E C 1.811 178.404 176.600 -0.012 0.000 0.994 495 E CA 1.901 58.317 56.400 0.027 0.000 0.801 495 E CB -0.105 29.616 29.700 0.035 0.000 0.743 495 E HN 0.614 nan 8.360 nan 0.000 0.453 496 T N 0.734 115.314 114.554 0.043 0.000 2.708 496 T HA -0.106 4.241 4.350 -0.005 0.000 0.266 496 T C 1.948 176.627 174.700 -0.036 0.000 1.037 496 T CA 1.362 63.489 62.100 0.045 0.000 1.146 496 T CB -0.374 68.611 68.868 0.196 0.000 0.865 496 T HN 0.345 nan 8.240 nan 0.000 0.435 497 A N 1.305 124.055 122.820 -0.116 0.000 1.940 497 A HA 0.002 4.319 4.320 -0.005 0.000 0.219 497 A C 2.277 179.689 177.584 -0.286 0.000 1.176 497 A CA 1.212 53.030 52.037 -0.365 0.000 0.631 497 A CB -0.925 17.458 19.000 -1.028 0.000 0.814 497 A HN 0.491 nan 8.150 nan 0.000 0.446 498 L N -1.246 119.859 121.223 -0.197 0.000 2.275 498 L HA -0.133 4.205 4.340 -0.005 0.000 0.215 498 L C 2.549 179.283 176.870 -0.226 0.000 1.119 498 L CA 0.966 55.706 54.840 -0.165 0.000 0.790 498 L CB -0.355 41.647 42.059 -0.095 0.000 0.919 498 L HN 0.454 nan 8.230 nan 0.000 0.443 499 M N -2.067 117.333 119.600 -0.333 0.000 2.388 499 M HA -0.084 4.393 4.480 -0.005 0.000 0.265 499 M C 0.439 176.330 176.300 -0.680 0.000 1.088 499 M CA 1.289 56.248 55.300 -0.569 0.000 1.134 499 M CB 0.199 32.262 32.600 -0.894 0.000 1.384 499 M HN 0.071 nan 8.290 nan 0.000 0.447 500 Y N -0.371 119.804 120.300 -0.209 0.000 2.713 500 Y HA 0.499 5.046 4.550 -0.004 0.000 0.269 500 Y C 1.095 176.847 175.900 -0.248 0.000 1.106 500 Y CA -0.123 57.835 58.100 -0.237 0.000 1.174 500 Y CB 0.413 38.698 38.460 -0.291 0.000 1.186 500 Y HN 0.288 nan 8.280 nan 0.000 0.555 501 G N -0.360 108.353 108.800 -0.145 0.000 3.033 501 G HA2 -0.071 3.886 3.960 -0.005 0.000 0.196 501 G HA3 -0.071 3.886 3.960 -0.005 0.000 0.196 501 G C 0.445 175.202 174.900 -0.238 0.000 1.078 501 G CA -0.428 44.557 45.100 -0.191 0.000 0.805 501 G HN 0.492 nan 8.290 nan 0.000 0.472 502 A N 0.819 123.485 122.820 -0.256 0.000 2.531 502 A HA 0.596 4.914 4.320 -0.005 0.000 0.236 502 A C 0.256 177.764 177.584 -0.127 0.000 1.062 502 A CA 1.031 52.949 52.037 -0.199 0.000 0.760 502 A CB 0.173 19.039 19.000 -0.224 0.000 0.995 502 A HN 0.494 nan 8.150 nan 0.000 0.501 503 K N 1.016 121.369 120.400 -0.078 0.000 2.318 503 K HA 0.545 4.862 4.320 -0.005 0.000 0.249 503 K C -0.876 175.716 176.600 -0.014 0.000 0.942 503 K CA -0.441 55.817 56.287 -0.048 0.000 0.808 503 K CB 2.256 34.730 32.500 -0.042 0.000 1.189 503 K HN 0.594 nan 8.250 nan 0.000 0.428 504 K N 2.631 123.025 120.400 -0.010 0.000 2.621 504 K HA 0.219 4.536 4.320 -0.005 0.000 0.233 504 K C -2.062 174.539 176.600 0.001 0.000 0.972 504 K CA -1.578 54.711 56.287 0.003 0.000 0.988 504 K CB 1.498 34.004 32.500 0.010 0.000 1.187 504 K HN 0.340 nan 8.250 nan 0.000 0.471 505 P HA 0.023 nan 4.420 nan 0.000 0.226 505 P C -0.037 177.272 177.300 0.016 0.000 1.161 505 P CA 0.329 63.435 63.100 0.010 0.000 0.804 505 P CB 0.627 32.337 31.700 0.016 0.000 0.829 506 L N 0.467 121.700 121.223 0.018 0.000 2.322 506 L HA 0.379 4.716 4.340 -0.005 0.000 0.279 506 L C 0.461 177.342 176.870 0.017 0.000 1.036 506 L CA -0.942 53.912 54.840 0.024 0.000 0.807 506 L CB 0.759 42.834 42.059 0.026 0.000 1.226 506 L HN -0.181 nan 8.230 nan 0.000 0.433 507 N N 1.210 119.922 118.700 0.019 0.000 2.434 507 N HA 0.291 5.028 4.740 -0.005 0.000 0.272 507 N C -0.458 175.064 175.510 0.020 0.000 1.040 507 N CA -0.224 52.836 53.050 0.016 0.000 0.956 507 N CB 1.181 39.676 38.487 0.013 0.000 1.108 507 N HN 0.721 nan 8.380 nan 0.000 0.481 517 N N 0.175 118.902 118.700 0.044 0.000 3.003 517 N HA -0.137 4.601 4.740 -0.005 0.000 0.237 517 N C -0.659 174.901 175.510 0.084 0.000 0.969 517 N CA 0.979 54.073 53.050 0.073 0.000 0.941 517 N CB -1.066 37.483 38.487 0.104 0.000 1.098 517 N HN 0.378 nan 8.380 nan 0.000 0.563 518 V N 1.499 121.446 119.914 0.055 0.000 2.383 518 V HA 0.320 4.438 4.120 -0.005 0.000 0.275 518 V C 0.075 176.196 176.094 0.044 0.000 1.036 518 V CA -0.557 61.782 62.300 0.066 0.000 0.889 518 V CB 1.690 33.532 31.823 0.032 0.000 0.985 518 V HN 0.016 nan 8.190 nan 0.000 0.459 519 D N 4.988 125.419 120.400 0.051 0.000 2.198 519 D HA 0.427 5.064 4.640 -0.005 0.000 0.245 519 D C -0.274 176.003 176.300 -0.038 0.000 1.079 519 D CA -0.096 53.911 54.000 0.012 0.000 0.854 519 D CB 1.866 42.680 40.800 0.022 0.000 1.148 519 D HN 0.402 nan 8.370 nan 0.000 0.456 520 M N 2.266 121.802 119.600 -0.106 0.000 2.311 520 M HA 0.304 4.781 4.480 -0.005 0.000 0.325 520 M C -1.369 174.793 176.300 -0.230 0.000 1.061 520 M CA -0.469 54.645 55.300 -0.310 0.000 0.957 520 M CB 2.040 34.431 32.600 -0.348 0.000 1.646 520 M HN 0.229 nan 8.290 nan 0.000 0.434 521 D N 3.162 123.401 120.400 -0.269 0.000 2.727 521 D HA 0.738 5.375 4.640 -0.005 0.000 0.264 521 D C -1.753 174.514 176.300 -0.055 0.000 1.101 521 D CA 0.111 54.033 54.000 -0.131 0.000 1.122 521 D CB 1.944 42.685 40.800 -0.098 0.000 1.390 521 D HN 0.511 nan 8.370 nan 0.000 0.606 522 F N -1.018 118.818 119.950 -0.190 0.000 2.688 522 F HA 0.571 5.095 4.527 -0.005 0.000 0.308 522 F C -1.800 173.922 175.800 -0.130 0.000 1.117 522 F CA -0.778 57.108 58.000 -0.190 0.000 0.976 522 F CB 1.277 40.147 39.000 -0.217 0.000 1.291 522 F HN -0.019 nan 8.300 nan 0.000 0.439 523 E N 2.760 122.947 120.200 -0.023 0.000 2.266 523 E HA 0.630 4.977 4.350 -0.005 0.000 0.268 523 E C -1.440 175.144 176.600 -0.027 0.000 0.879 523 E CA -0.972 55.356 56.400 -0.119 0.000 0.762 523 E CB 2.964 32.625 29.700 -0.065 0.000 1.199 523 E HN 0.570 nan 8.360 nan 0.000 0.422 524 V N 1.323 121.174 119.914 -0.106 0.000 2.540 524 V HA 0.257 4.374 4.120 -0.005 0.000 0.302 524 V C 0.270 176.332 176.094 -0.054 0.000 1.035 524 V CA -0.915 61.328 62.300 -0.096 0.000 0.873 524 V CB 1.935 33.574 31.823 -0.307 0.000 0.992 524 V HN 0.583 nan 8.190 nan 0.000 0.428 525 E N 2.812 123.041 120.200 0.050 0.000 2.373 525 E HA 0.186 4.534 4.350 -0.005 0.000 0.267 525 E C -0.206 176.345 176.600 -0.082 0.000 1.032 525 E CA -0.165 56.261 56.400 0.042 0.000 0.889 525 E CB 0.627 30.428 29.700 0.169 0.000 0.984 525 E HN 0.707 nan 8.360 nan 0.000 0.425 526 N N 0.995 119.652 118.700 -0.071 0.000 2.520 526 N HA 0.341 5.079 4.740 -0.005 0.000 0.273 526 N C -0.984 174.490 175.510 -0.060 0.000 1.155 526 N CA -0.234 52.753 53.050 -0.106 0.000 0.967 526 N CB 1.241 39.683 38.487 -0.075 0.000 1.092 526 N HN 0.403 nan 8.380 nan 0.000 0.457 527 A N 1.510 124.283 122.820 -0.079 0.000 2.566 527 A HA 0.518 4.835 4.320 -0.005 0.000 0.292 527 A C -0.685 176.917 177.584 0.029 0.000 1.112 527 A CA -0.652 51.402 52.037 0.028 0.000 0.707 527 A CB 0.927 20.020 19.000 0.156 0.000 1.302 527 A HN 0.386 nan 8.150 nan 0.000 0.409 528 V N 1.647 121.603 119.914 0.070 0.000 2.637 528 V HA 0.116 4.233 4.120 -0.005 0.000 0.296 528 V C 0.627 176.793 176.094 0.119 0.000 1.046 528 V CA -0.220 62.125 62.300 0.075 0.000 1.066 528 V CB 0.759 32.625 31.823 0.071 0.000 0.968 528 V HN 0.811 nan 8.190 nan 0.000 0.483 529 L N 5.358 126.646 121.223 0.109 0.000 2.678 529 L HA 0.336 4.673 4.340 -0.005 0.000 0.285 529 L C 1.229 178.210 176.870 0.185 0.000 1.233 529 L CA 2.007 56.943 54.840 0.159 0.000 0.920 529 L CB -0.303 41.830 42.059 0.124 0.000 1.176 529 L HN 1.032 nan 8.230 nan 0.000 0.495 530 G N 2.566 111.529 108.800 0.272 0.000 2.194 530 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.236 530 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.236 530 G C 0.454 175.443 174.900 0.148 0.000 0.987 530 G CA 0.277 45.470 45.100 0.156 0.000 0.635 530 G HN 0.628 nan 8.290 nan 0.000 0.520 531 K N 0.920 121.459 120.400 0.233 0.000 2.095 531 K HA 0.555 4.872 4.320 -0.005 0.000 0.252 531 K C -0.296 176.493 176.600 0.316 0.000 0.977 531 K CA -0.781 55.633 56.287 0.213 0.000 0.900 531 K CB 0.811 33.420 32.500 0.181 0.000 1.060 531 K HN 0.103 nan 8.250 nan 0.000 0.449 532 D N 0.982 121.511 120.400 0.215 0.000 2.358 532 D HA 0.316 4.953 4.640 -0.005 0.000 0.244 532 D C -0.412 176.066 176.300 0.295 0.000 1.163 532 D CA 0.110 54.221 54.000 0.185 0.000 0.945 532 D CB 0.501 41.337 40.800 0.060 0.000 1.152 532 D HN 0.310 nan 8.370 nan 0.000 0.451 533 F N -2.159 117.894 119.950 0.171 0.000 2.686 533 F HA 0.503 5.027 4.527 -0.004 0.000 0.311 533 F C -0.578 175.283 175.800 0.102 0.000 1.128 533 F CA -1.268 56.805 58.000 0.121 0.000 0.946 533 F CB 1.356 40.428 39.000 0.121 0.000 1.336 533 F HN -0.132 nan 8.300 nan 0.000 0.457 534 K N 1.660 122.205 120.400 0.242 0.000 2.123 534 K HA 0.725 5.042 4.320 -0.005 0.000 0.248 534 K C -1.819 174.895 176.600 0.190 0.000 0.969 534 K CA -0.824 55.539 56.287 0.127 0.000 0.882 534 K CB 2.071 34.629 32.500 0.097 0.000 1.080 534 K HN 0.932 nan 8.250 nan 0.000 0.441 535 L N 1.245 122.524 121.223 0.093 0.000 2.436 535 L HA 0.373 4.710 4.340 -0.005 0.000 0.268 535 L C -1.160 175.730 176.870 0.033 0.000 0.974 535 L CA -0.246 54.630 54.840 0.059 0.000 0.826 535 L CB 1.998 44.059 42.059 0.003 0.000 1.291 535 L HN 0.764 nan 8.230 nan 0.000 0.406 536 S N 4.595 120.313 115.700 0.030 0.000 2.521 536 S HA 0.721 5.189 4.470 -0.005 0.000 0.295 536 S C -0.766 173.803 174.600 -0.051 0.000 1.098 536 S CA -0.763 57.428 58.200 -0.014 0.000 0.999 536 S CB 1.638 64.841 63.200 0.004 0.000 1.034 536 S HN 0.516 nan 8.310 nan 0.000 0.483 537 I N 2.359 122.823 120.570 -0.177 0.000 2.460 537 I HA 0.495 4.662 4.170 -0.005 0.000 0.298 537 I C -0.280 175.615 176.117 -0.369 0.000 0.989 537 I CA -0.442 60.666 61.300 -0.320 0.000 1.173 537 I CB 2.232 39.911 38.000 -0.534 0.000 1.338 537 I HN 0.671 nan 8.210 nan 0.000 0.456 538 T N 5.133 119.364 114.554 -0.538 0.000 2.886 538 T HA 0.614 4.961 4.350 -0.005 0.000 0.292 538 T C -0.864 173.371 174.700 -0.774 0.000 1.012 538 T CA -0.507 61.269 62.100 -0.541 0.000 0.982 538 T CB 1.231 69.882 68.868 -0.360 0.000 1.018 538 T HN 0.125 nan 8.240 nan 0.000 0.451 539 F N 1.512 121.183 119.950 -0.466 0.000 2.529 539 F HA 0.630 5.154 4.527 -0.004 0.000 0.320 539 F C 0.356 175.931 175.800 -0.375 0.000 1.118 539 F CA -1.015 56.799 58.000 -0.311 0.000 0.915 539 F CB 1.998 40.870 39.000 -0.214 0.000 1.161 539 F HN 0.260 nan 8.300 nan 0.000 0.445 540 R N 2.535 123.023 120.500 -0.019 0.000 2.409 540 R HA 0.382 4.719 4.340 -0.005 0.000 0.313 540 R C -1.263 175.101 176.300 0.106 0.000 0.953 540 R CA -0.624 55.520 56.100 0.073 0.000 0.849 540 R CB 0.785 31.180 30.300 0.158 0.000 1.171 540 R HN 0.617 nan 8.270 nan 0.000 0.458 541 N N 3.298 122.062 118.700 0.107 0.000 2.485 541 N HA 0.129 4.866 4.740 -0.005 0.000 0.243 541 N C -0.294 175.247 175.510 0.052 0.000 0.987 541 N CA -0.380 52.733 53.050 0.106 0.000 0.940 541 N CB 0.908 39.463 38.487 0.112 0.000 1.122 541 N HN 0.612 nan 8.380 nan 0.000 0.509 542 N N 0.802 119.525 118.700 0.039 0.000 2.446 542 N HA -0.090 4.647 4.740 -0.005 0.000 0.179 542 N C 0.616 176.054 175.510 -0.120 0.000 1.054 542 N CA 0.146 53.181 53.050 -0.025 0.000 0.905 542 N CB 0.046 38.535 38.487 0.005 0.000 0.973 542 N HN 0.621 nan 8.380 nan 0.000 0.448 543 S N 0.449 116.116 115.700 -0.056 0.000 2.617 543 S HA 0.043 4.510 4.470 -0.005 0.000 0.259 543 S C 0.518 174.972 174.600 -0.244 0.000 1.301 543 S CA -0.061 58.088 58.200 -0.085 0.000 0.984 543 S CB 0.520 63.745 63.200 0.041 0.000 0.954 543 S HN 0.252 nan 8.310 nan 0.000 0.572 544 H N 0.396 119.445 119.070 -0.035 0.000 2.505 544 H HA 0.368 4.921 4.556 -0.004 0.000 0.289 544 H C 0.103 175.365 175.328 -0.110 0.000 1.052 544 H CA -0.377 55.639 56.048 -0.053 0.000 1.156 544 H CB -0.105 29.639 29.762 -0.030 0.000 1.507 544 H HN 0.621 nan 8.280 nan 0.000 0.548 545 N N 0.075 118.690 118.700 -0.141 0.000 2.328 545 N HA 0.245 4.983 4.740 -0.005 0.000 0.299 545 N C -0.736 174.470 175.510 -0.505 0.000 1.179 545 N CA -0.985 51.892 53.050 -0.288 0.000 0.793 545 N CB 2.379 40.686 38.487 -0.300 0.000 1.366 545 N HN 0.076 nan 8.380 nan 0.000 0.493 546 R N 1.047 121.300 120.500 -0.412 0.000 2.308 546 R HA 0.242 4.579 4.340 -0.005 0.000 0.305 546 R C -1.383 174.671 176.300 -0.410 0.000 1.053 546 R CA -0.194 55.709 56.100 -0.328 0.000 0.957 546 R CB 0.423 30.634 30.300 -0.149 0.000 1.022 546 R HN 0.572 nan 8.270 nan 0.000 0.461 547 Y N 0.943 121.219 120.300 -0.039 0.000 2.446 547 Y HA 0.246 4.793 4.550 -0.004 0.000 0.345 547 Y C 0.059 175.912 175.900 -0.077 0.000 0.984 547 Y CA -0.986 57.083 58.100 -0.052 0.000 1.058 547 Y CB 2.422 40.849 38.460 -0.055 0.000 1.220 547 Y HN 0.570 nan 8.280 nan 0.000 0.455 548 T N 1.718 116.342 114.554 0.118 0.000 2.788 548 T HA 0.789 5.136 4.350 -0.005 0.000 0.296 548 T C -0.569 174.110 174.700 -0.035 0.000 1.009 548 T CA -0.483 61.622 62.100 0.009 0.000 0.949 548 T CB -0.164 68.705 68.868 0.002 0.000 0.946 548 T HN 0.439 nan 8.240 nan 0.000 0.453 549 I N 2.707 123.211 120.570 -0.109 0.000 2.493 549 I HA 0.391 4.558 4.170 -0.005 0.000 0.298 549 I C 0.060 176.078 176.117 -0.165 0.000 0.998 549 I CA -0.983 60.228 61.300 -0.148 0.000 1.137 549 I CB 2.372 40.236 38.000 -0.228 0.000 1.310 549 I HN 0.573 nan 8.210 nan 0.000 0.445 550 T N 5.012 119.474 114.554 -0.155 0.000 2.853 550 T HA 0.579 4.926 4.350 -0.005 0.000 0.317 550 T C -0.095 174.353 174.700 -0.419 0.000 1.059 550 T CA -0.486 61.458 62.100 -0.260 0.000 0.954 550 T CB 0.909 69.662 68.868 -0.191 0.000 0.994 550 T HN 0.650 nan 8.240 nan 0.000 0.479 551 A N 3.658 126.266 122.820 -0.353 0.000 2.312 551 A HA 0.813 5.130 4.320 -0.005 0.000 0.326 551 A C -1.233 176.145 177.584 -0.343 0.000 1.172 551 A CA -0.671 51.238 52.037 -0.214 0.000 0.821 551 A CB 0.612 19.661 19.000 0.081 0.000 1.166 551 A HN 0.778 nan 8.150 nan 0.000 0.493 552 Y N 0.631 121.020 120.300 0.148 0.000 2.409 552 Y HA 0.576 5.123 4.550 -0.005 0.000 0.343 552 Y C -0.354 175.625 175.900 0.133 0.000 0.973 552 Y CA -0.867 57.316 58.100 0.138 0.000 1.064 552 Y CB 1.993 40.489 38.460 0.060 0.000 1.207 552 Y HN 0.597 nan 8.280 nan 0.000 0.452 553 L N 2.605 124.012 121.223 0.308 0.000 2.333 553 L HA 0.749 5.087 4.340 -0.005 0.000 0.280 553 L C -0.598 176.371 176.870 0.164 0.000 1.004 553 L CA -0.104 54.858 54.840 0.203 0.000 0.820 553 L CB 1.620 43.833 42.059 0.257 0.000 1.247 553 L HN 0.559 nan 8.230 nan 0.000 0.416 554 S N 4.142 119.944 115.700 0.171 0.000 2.594 554 S HA 0.928 5.395 4.470 -0.005 0.000 0.296 554 S C -1.055 173.610 174.600 0.109 0.000 1.124 554 S CA -0.058 58.228 58.200 0.143 0.000 1.011 554 S CB 1.221 64.549 63.200 0.213 0.000 1.016 554 S HN 1.060 nan 8.310 nan 0.000 0.485 555 A N 4.905 127.677 122.820 -0.081 0.000 2.353 555 A HA 0.719 5.036 4.320 -0.005 0.000 0.299 555 A C -0.741 176.616 177.584 -0.379 0.000 1.089 555 A CA -0.787 51.081 52.037 -0.281 0.000 0.736 555 A CB 0.969 19.813 19.000 -0.259 0.000 1.195 555 A HN 0.814 nan 8.150 nan 0.000 0.447 556 N N 2.003 120.661 118.700 -0.070 0.000 2.272 556 N HA 0.413 5.150 4.740 -0.005 0.000 0.305 556 N C -0.840 174.877 175.510 0.345 0.000 1.103 556 N CA -0.630 52.530 53.050 0.183 0.000 0.791 556 N CB 1.682 40.264 38.487 0.160 0.000 1.356 556 N HN 0.484 nan 8.380 nan 0.000 0.486 557 I N 1.726 122.531 120.570 0.392 0.000 2.529 557 I HA 0.123 4.291 4.170 -0.005 0.000 0.284 557 I C 1.093 177.292 176.117 0.138 0.000 1.082 557 I CA 0.309 61.728 61.300 0.198 0.000 1.406 557 I CB 0.473 38.565 38.000 0.154 0.000 1.405 557 I HN 0.571 nan 8.210 nan 0.000 0.548 558 T N 2.710 117.323 114.554 0.098 0.000 2.883 558 T HA 0.511 4.858 4.350 -0.005 0.000 0.301 558 T C -0.395 174.380 174.700 0.125 0.000 1.158 558 T CA -0.673 61.488 62.100 0.101 0.000 1.007 558 T CB 1.579 70.484 68.868 0.063 0.000 1.186 558 T HN 0.131 nan 8.240 nan 0.000 0.499 559 F N 1.907 121.837 119.950 -0.033 0.000 2.480 559 F HA 0.267 4.791 4.527 -0.005 0.000 0.319 559 F C 1.857 177.638 175.800 -0.033 0.000 1.230 559 F CA -0.465 57.523 58.000 -0.020 0.000 1.285 559 F CB 0.492 39.435 39.000 -0.094 0.000 1.208 559 F HN 0.839 nan 8.300 nan 0.000 0.579 560 Y N -0.529 119.698 120.300 -0.121 0.000 2.384 560 Y HA -0.126 4.422 4.550 -0.003 0.000 0.289 560 Y C 1.935 177.731 175.900 -0.173 0.000 1.152 560 Y CA 1.149 59.199 58.100 -0.083 0.000 1.258 560 Y CB -2.078 36.324 38.460 -0.097 0.000 0.979 560 Y HN 0.482 nan 8.280 nan 0.000 0.549 561 T N -2.881 111.096 114.554 -0.962 0.000 3.155 561 T HA 0.260 4.607 4.350 -0.005 0.000 0.264 561 T C 1.834 176.138 174.700 -0.659 0.000 1.160 561 T CA 0.687 61.934 62.100 -1.423 0.000 1.075 561 T CB -0.929 66.861 68.868 -1.797 0.000 0.921 561 T HN 0.932 nan 8.240 nan 0.000 0.533 562 G N 0.546 109.201 108.800 -0.242 0.000 2.304 562 G HA2 -0.295 3.663 3.960 -0.005 0.000 0.252 562 G HA3 -0.295 3.663 3.960 -0.005 0.000 0.252 562 G C 0.203 175.019 174.900 -0.140 0.000 1.014 562 G CA -0.014 45.007 45.100 -0.131 0.000 0.619 562 G HN 0.724 nan 8.290 nan 0.000 0.525 563 V N 4.167 123.978 119.914 -0.172 0.000 2.540 563 V HA 0.367 4.484 4.120 -0.005 0.000 0.297 563 V C -1.137 174.940 176.094 -0.028 0.000 1.024 563 V CA -0.257 61.970 62.300 -0.121 0.000 1.105 563 V CB 1.026 32.732 31.823 -0.194 0.000 0.938 563 V HN 0.363 nan 8.190 nan 0.000 0.482 564 P HA 0.348 nan 4.420 nan 0.000 0.294 564 P C -0.289 177.043 177.300 0.054 0.000 1.294 564 P CA -0.660 62.464 63.100 0.039 0.000 0.827 564 P CB 2.456 34.187 31.700 0.050 0.000 0.992 565 K N 3.001 123.453 120.400 0.087 0.000 2.286 565 K HA 0.448 4.765 4.320 -0.005 0.000 0.203 565 K C -0.059 176.597 176.600 0.093 0.000 1.078 565 K CA 0.600 56.937 56.287 0.083 0.000 0.957 565 K CB 0.276 32.839 32.500 0.105 0.000 1.018 565 K HN 0.519 nan 8.250 nan 0.000 0.484 566 A N 0.445 123.344 122.820 0.131 0.000 2.566 566 A HA 0.374 4.691 4.320 -0.005 0.000 0.297 566 A C -1.642 176.055 177.584 0.189 0.000 1.059 566 A CA -0.659 51.464 52.037 0.143 0.000 0.691 566 A CB 1.089 20.177 19.000 0.148 0.000 1.282 566 A HN 0.212 nan 8.150 nan 0.000 0.401 567 E N 1.491 121.775 120.200 0.139 0.000 2.159 567 E HA 0.293 4.641 4.350 -0.005 0.000 0.272 567 E C 0.158 176.837 176.600 0.131 0.000 1.138 567 E CA -0.114 56.346 56.400 0.102 0.000 0.915 567 E CB 0.028 29.761 29.700 0.056 0.000 1.028 567 E HN 0.590 nan 8.360 nan 0.000 0.423 568 F N 3.609 123.622 119.950 0.104 0.000 2.746 568 F HA 0.354 4.878 4.527 -0.004 0.000 0.297 568 F C 0.234 176.106 175.800 0.119 0.000 1.113 568 F CA -0.571 57.498 58.000 0.116 0.000 1.367 568 F CB 0.389 39.480 39.000 0.153 0.000 1.111 568 F HN 0.103 nan 8.300 nan 0.000 0.590 569 K N 1.268 121.397 120.400 -0.451 0.000 2.553 569 K HA 0.440 4.757 4.320 -0.005 0.000 0.250 569 K C -1.665 174.833 176.600 -0.170 0.000 0.953 569 K CA -0.670 55.444 56.287 -0.289 0.000 0.800 569 K CB 1.469 33.761 32.500 -0.347 0.000 1.243 569 K HN -0.043 nan 8.250 nan 0.000 0.435 570 K N 1.906 122.268 120.400 -0.062 0.000 2.350 570 K HA 0.623 4.941 4.320 -0.005 0.000 0.241 570 K C -1.340 175.250 176.600 -0.017 0.000 0.994 570 K CA -0.897 55.382 56.287 -0.014 0.000 0.839 570 K CB 1.962 34.464 32.500 0.003 0.000 1.244 570 K HN 0.578 nan 8.250 nan 0.000 0.443 571 E N -0.646 119.557 120.200 0.005 0.000 2.389 571 E HA 0.389 4.736 4.350 -0.005 0.000 0.281 571 E C -1.921 174.640 176.600 -0.065 0.000 1.072 571 E CA -0.546 55.791 56.400 -0.105 0.000 0.845 571 E CB 1.634 31.225 29.700 -0.181 0.000 1.239 571 E HN 0.601 nan 8.360 nan 0.000 0.434 572 T N 1.889 116.303 114.554 -0.232 0.000 2.886 572 T HA 0.726 5.073 4.350 -0.005 0.000 0.292 572 T C -1.501 172.943 174.700 -0.428 0.000 1.012 572 T CA -0.478 61.505 62.100 -0.195 0.000 0.982 572 T CB 0.309 69.155 68.868 -0.038 0.000 1.018 572 T HN 0.251 nan 8.240 nan 0.000 0.451 573 F N 2.465 122.310 119.950 -0.174 0.000 2.458 573 F HA 0.503 5.027 4.527 -0.005 0.000 0.336 573 F C 0.517 176.196 175.800 -0.201 0.000 1.114 573 F CA -1.011 56.904 58.000 -0.141 0.000 0.987 573 F CB 1.643 40.591 39.000 -0.086 0.000 1.130 573 F HN 0.459 nan 8.300 nan 0.000 0.458 574 D N 2.644 123.039 120.400 -0.008 0.000 2.303 574 D HA 0.503 5.140 4.640 -0.005 0.000 0.236 574 D C -0.951 175.299 176.300 -0.082 0.000 1.068 574 D CA 0.054 54.012 54.000 -0.070 0.000 0.830 574 D CB 2.297 43.056 40.800 -0.068 0.000 1.109 574 D HN 0.181 nan 8.370 nan 0.000 0.496 575 V N 2.220 122.037 119.914 -0.161 0.000 2.656 575 V HA 0.416 4.533 4.120 -0.005 0.000 0.307 575 V C 0.046 176.029 176.094 -0.185 0.000 1.051 575 V CA -0.603 61.556 62.300 -0.235 0.000 0.893 575 V CB 2.399 33.905 31.823 -0.528 0.000 0.999 575 V HN 0.477 nan 8.190 nan 0.000 0.426 576 T N 5.643 120.113 114.554 -0.141 0.000 2.786 576 T HA 0.576 4.924 4.350 -0.005 0.000 0.283 576 T C -0.474 174.169 174.700 -0.094 0.000 0.992 576 T CA -0.258 61.788 62.100 -0.091 0.000 0.954 576 T CB 0.947 69.781 68.868 -0.057 0.000 0.934 576 T HN 0.352 nan 8.240 nan 0.000 0.440 577 L N 3.991 125.175 121.223 -0.065 0.000 2.257 577 L HA 0.352 4.689 4.340 -0.005 0.000 0.290 577 L C 0.558 177.404 176.870 -0.041 0.000 1.044 577 L CA -0.808 54.007 54.840 -0.043 0.000 0.810 577 L CB 0.775 42.846 42.059 0.021 0.000 1.193 577 L HN 0.533 nan 8.230 nan 0.000 0.425 578 E N 4.630 124.809 120.200 -0.035 0.000 2.392 578 E HA 0.251 4.598 4.350 -0.005 0.000 0.259 578 E C -2.227 174.343 176.600 -0.049 0.000 1.108 578 E CA -1.890 54.486 56.400 -0.040 0.000 0.916 578 E CB 0.046 29.735 29.700 -0.017 0.000 0.989 578 E HN 0.279 nan 8.360 nan 0.000 0.432 579 P HA -0.054 nan 4.420 nan 0.000 0.271 579 P C -0.143 177.126 177.300 -0.053 0.000 1.233 579 P CA -0.061 62.995 63.100 -0.074 0.000 0.795 579 P CB 0.182 31.864 31.700 -0.029 0.000 0.936 580 L N -1.582 119.577 121.223 -0.108 0.000 3.944 580 L HA -0.222 4.115 4.340 -0.005 0.000 0.497 580 L C 0.186 177.062 176.870 0.010 0.000 1.023 580 L CA 0.450 55.248 54.840 -0.070 0.000 0.717 580 L CB -2.260 39.754 42.059 -0.076 0.000 1.066 580 L HN 0.387 nan 8.230 nan 0.000 0.715 581 S N 0.702 116.428 115.700 0.045 0.000 2.632 581 S HA 0.859 5.327 4.470 -0.005 0.000 0.289 581 S C -0.922 173.788 174.600 0.184 0.000 1.115 581 S CA -0.947 57.308 58.200 0.092 0.000 0.889 581 S CB 2.791 66.023 63.200 0.053 0.000 1.116 581 S HN 0.263 nan 8.310 nan 0.000 0.486 582 F N 0.618 120.586 119.950 0.030 0.000 2.547 582 F HA 0.737 5.261 4.527 -0.005 0.000 0.316 582 F C -0.699 175.136 175.800 0.057 0.000 1.121 582 F CA -0.436 57.592 58.000 0.047 0.000 0.911 582 F CB 1.726 40.742 39.000 0.027 0.000 1.179 582 F HN 0.773 nan 8.300 nan 0.000 0.443 583 K N 5.755 125.977 120.400 -0.296 0.000 2.535 583 K HA 0.374 4.691 4.320 -0.005 0.000 0.250 583 K C -1.741 174.736 176.600 -0.205 0.000 0.948 583 K CA -0.832 55.392 56.287 -0.105 0.000 0.796 583 K CB 1.739 34.227 32.500 -0.021 0.000 1.216 583 K HN 0.710 nan 8.250 nan 0.000 0.432 584 K N 3.063 123.419 120.400 -0.074 0.000 2.318 584 K HA 0.363 4.680 4.320 -0.005 0.000 0.249 584 K C -1.186 175.415 176.600 0.002 0.000 0.942 584 K CA -0.577 55.672 56.287 -0.063 0.000 0.808 584 K CB 1.587 34.090 32.500 0.005 0.000 1.189 584 K HN 0.537 nan 8.250 nan 0.000 0.428 585 E N 1.462 121.646 120.200 -0.026 0.000 2.293 585 E HA 0.501 4.848 4.350 -0.005 0.000 0.270 585 E C -1.504 175.093 176.600 -0.006 0.000 0.879 585 E CA -1.071 55.331 56.400 0.002 0.000 0.756 585 E CB 2.187 31.878 29.700 -0.016 0.000 1.208 585 E HN 0.667 nan 8.360 nan 0.000 0.428 586 A N 1.755 124.613 122.820 0.063 0.000 2.365 586 A HA 0.741 5.059 4.320 -0.005 0.000 0.318 586 A C -0.485 177.164 177.584 0.109 0.000 1.091 586 A CA -0.686 51.388 52.037 0.061 0.000 0.763 586 A CB 1.238 20.269 19.000 0.051 0.000 1.248 586 A HN 0.369 nan 8.150 nan 0.000 0.442 587 V N -0.153 119.820 119.914 0.099 0.000 3.078 587 V HA 0.866 4.983 4.120 -0.005 0.000 0.311 587 V C -1.064 175.050 176.094 0.033 0.000 1.138 587 V CA -0.920 61.438 62.300 0.097 0.000 1.007 587 V CB 1.595 33.514 31.823 0.160 0.000 1.045 587 V HN 1.041 nan 8.190 nan 0.000 0.432 588 L N 2.892 124.117 121.223 0.003 0.000 2.313 588 L HA 0.757 5.095 4.340 -0.005 0.000 0.283 588 L C -0.838 175.971 176.870 -0.102 0.000 1.013 588 L CA -0.248 54.562 54.840 -0.049 0.000 0.816 588 L CB 1.289 43.334 42.059 -0.024 0.000 1.236 588 L HN 0.704 nan 8.230 nan 0.000 0.419 589 I N 4.509 124.918 120.570 -0.270 0.000 2.353 589 I HA 0.339 4.507 4.170 -0.005 0.000 0.293 589 I C 0.103 176.093 176.117 -0.211 0.000 0.992 589 I CA -0.048 61.090 61.300 -0.270 0.000 1.268 589 I CB 1.501 39.205 38.000 -0.494 0.000 1.387 589 I HN 0.609 nan 8.210 nan 0.000 0.478 590 Q N 4.876 124.644 119.800 -0.054 0.000 2.199 590 Q HA 0.583 4.921 4.340 -0.005 0.000 0.232 590 Q C 0.857 176.817 176.000 -0.067 0.000 0.969 590 Q CA -0.663 55.113 55.803 -0.044 0.000 0.925 590 Q CB 0.943 29.660 28.738 -0.034 0.000 1.198 590 Q HN 0.706 nan 8.270 nan 0.000 0.494 591 A N 1.192 123.931 122.820 -0.134 0.000 1.933 591 A HA -0.109 4.208 4.320 -0.005 0.000 0.218 591 A C 1.969 179.199 177.584 -0.590 0.000 1.175 591 A CA 1.786 53.549 52.037 -0.456 0.000 0.628 591 A CB -1.260 17.607 19.000 -0.223 0.000 0.814 591 A HN 0.926 nan 8.150 nan 0.000 0.444 592 G N -0.568 108.077 108.800 -0.258 0.000 2.471 592 G HA2 -0.147 3.810 3.960 -0.005 0.000 0.219 592 G HA3 -0.147 3.810 3.960 -0.005 0.000 0.219 592 G C 1.281 176.115 174.900 -0.111 0.000 1.125 592 G CA 0.858 45.855 45.100 -0.171 0.000 0.775 592 G HN 0.688 nan 8.290 nan 0.000 0.548 593 E N -0.791 119.382 120.200 -0.045 0.000 2.347 593 E HA -0.051 4.297 4.350 -0.005 0.000 0.196 593 E C 1.675 178.405 176.600 0.216 0.000 1.008 593 E CA 0.903 57.399 56.400 0.160 0.000 0.852 593 E CB -0.067 29.819 29.700 0.309 0.000 0.783 593 E HN 0.873 nan 8.360 nan 0.000 0.505 594 Y N -3.518 116.753 120.300 -0.047 0.000 2.426 594 Y HA 0.322 4.869 4.550 -0.005 0.000 0.249 594 Y C 1.752 177.570 175.900 -0.136 0.000 1.103 594 Y CA -0.328 57.591 58.100 -0.301 0.000 1.256 594 Y CB 0.058 38.125 38.460 -0.656 0.000 1.208 594 Y HN -0.146 nan 8.280 nan 0.000 0.519 595 M N 1.349 120.743 119.600 -0.344 0.000 2.374 595 M HA 0.105 4.582 4.480 -0.005 0.000 0.264 595 M C 1.916 178.197 176.300 -0.031 0.000 1.067 595 M CA 1.240 56.425 55.300 -0.192 0.000 1.103 595 M CB -1.239 31.193 32.600 -0.279 0.000 1.402 595 M HN 0.609 nan 8.290 nan 0.000 0.444 596 G N -0.709 108.079 108.800 -0.020 0.000 2.744 596 G HA2 -0.120 3.838 3.960 -0.005 0.000 0.211 596 G HA3 -0.120 3.838 3.960 -0.005 0.000 0.211 596 G C 1.412 176.336 174.900 0.039 0.000 1.143 596 G CA 0.159 45.268 45.100 0.015 0.000 0.788 596 G HN 0.533 nan 8.290 nan 0.000 0.534 597 Q N -0.813 119.017 119.800 0.050 0.000 2.245 597 Q HA 0.315 4.653 4.340 -0.005 0.000 0.236 597 Q C 0.455 176.485 176.000 0.050 0.000 0.842 597 Q CA -0.389 55.447 55.803 0.055 0.000 0.945 597 Q CB 0.789 29.564 28.738 0.063 0.000 1.122 597 Q HN 0.303 nan 8.270 nan 0.000 0.506 598 L N 2.013 123.268 121.223 0.053 0.000 2.514 598 L HA 0.033 4.370 4.340 -0.005 0.000 0.280 598 L C 0.142 177.030 176.870 0.030 0.000 1.223 598 L CA 0.242 55.098 54.840 0.026 0.000 0.864 598 L CB 0.259 42.346 42.059 0.047 0.000 1.118 598 L HN 0.104 nan 8.230 nan 0.000 0.494 599 L N 2.337 123.565 121.223 0.009 0.000 2.431 599 L HA 0.250 4.587 4.340 -0.005 0.000 0.260 599 L C 0.659 177.477 176.870 -0.086 0.000 1.098 599 L CA -0.701 54.139 54.840 0.000 0.000 0.800 599 L CB 0.900 42.985 42.059 0.043 0.000 1.210 599 L HN 0.640 nan 8.230 nan 0.000 0.465 600 E N 1.404 121.538 120.200 -0.109 0.000 2.502 600 E HA -0.116 4.232 4.350 -0.005 0.000 0.261 600 E C -0.363 176.037 176.600 -0.333 0.000 0.974 600 E CA 0.178 56.484 56.400 -0.156 0.000 0.936 600 E CB 0.454 30.127 29.700 -0.044 0.000 0.926 600 E HN 0.671 nan 8.360 nan 0.000 0.459 601 Q N 1.175 120.776 119.800 -0.332 0.000 2.347 601 Q HA -0.324 4.013 4.340 -0.005 0.000 0.159 601 Q C 0.559 176.478 176.000 -0.135 0.000 0.568 601 Q CA 0.839 56.420 55.803 -0.370 0.000 1.340 601 Q CB -2.203 26.238 28.738 -0.495 0.000 1.236 601 Q HN 1.433 nan 8.270 nan 0.000 0.988 602 A N 0.234 122.984 122.820 -0.117 0.000 2.687 602 A HA -0.217 4.100 4.320 -0.005 0.000 0.299 602 A C 0.389 177.921 177.584 -0.087 0.000 1.497 602 A CA 1.169 53.155 52.037 -0.086 0.000 0.751 602 A CB -1.831 17.134 19.000 -0.058 0.000 1.048 602 A HN 0.787 nan 8.150 nan 0.000 0.464 603 S N -0.681 114.984 115.700 -0.058 0.000 2.616 603 S HA 0.856 5.323 4.470 -0.005 0.000 0.277 603 S C 0.012 174.595 174.600 -0.028 0.000 1.234 603 S CA -0.711 57.486 58.200 -0.006 0.000 1.028 603 S CB 1.939 65.183 63.200 0.073 0.000 0.988 603 S HN 0.729 nan 8.310 nan 0.000 0.522 604 L N 1.636 122.844 121.223 -0.025 0.000 2.371 604 L HA 0.553 4.890 4.340 -0.005 0.000 0.262 604 L C -0.546 176.202 176.870 -0.204 0.000 1.006 604 L CA -0.711 54.071 54.840 -0.097 0.000 0.818 604 L CB 2.051 44.044 42.059 -0.111 0.000 1.354 604 L HN 0.725 nan 8.230 nan 0.000 0.415 605 H N 1.820 120.602 119.070 -0.479 0.000 2.667 605 H HA 0.518 5.071 4.556 -0.005 0.000 0.353 605 H C -1.945 173.002 175.328 -0.636 0.000 1.072 605 H CA -0.482 55.316 56.048 -0.416 0.000 1.214 605 H CB 1.874 31.519 29.762 -0.196 0.000 1.600 605 H HN 0.368 nan 8.280 nan 0.000 0.527 606 F N 4.566 124.105 119.950 -0.685 0.000 2.493 606 F HA 0.351 4.875 4.527 -0.005 0.000 0.329 606 F C -0.688 174.857 175.800 -0.425 0.000 1.126 606 F CA -0.716 57.121 58.000 -0.271 0.000 0.937 606 F CB 1.106 40.192 39.000 0.144 0.000 1.146 606 F HN 0.317 nan 8.300 nan 0.000 0.442 607 F N 2.317 122.312 119.950 0.074 0.000 2.436 607 F HA 0.643 5.168 4.527 -0.004 0.000 0.340 607 F C -0.271 175.494 175.800 -0.058 0.000 1.113 607 F CA -1.161 56.897 58.000 0.096 0.000 1.022 607 F CB 1.747 40.837 39.000 0.150 0.000 1.128 607 F HN 0.027 nan 8.300 nan 0.000 0.466 608 V N 2.733 122.701 119.914 0.091 0.000 2.376 608 V HA 0.514 4.631 4.120 -0.005 0.000 0.287 608 V C -0.484 175.642 176.094 0.052 0.000 1.015 608 V CA -0.631 61.616 62.300 -0.088 0.000 0.834 608 V CB 1.581 33.107 31.823 -0.496 0.000 1.001 608 V HN 0.847 nan 8.190 nan 0.000 0.428 609 T N 1.745 116.360 114.554 0.102 0.000 2.861 609 T HA 0.907 5.255 4.350 -0.005 0.000 0.287 609 T C -0.550 174.236 174.700 0.143 0.000 1.003 609 T CA -0.704 61.446 62.100 0.084 0.000 0.977 609 T CB 2.216 71.128 68.868 0.073 0.000 0.996 609 T HN 1.021 nan 8.240 nan 0.000 0.448 610 A N 2.485 125.355 122.820 0.083 0.000 2.437 610 A HA 0.757 5.074 4.320 -0.005 0.000 0.293 610 A C -0.442 177.166 177.584 0.040 0.000 1.038 610 A CA -0.966 51.112 52.037 0.069 0.000 0.708 610 A CB 1.431 20.487 19.000 0.093 0.000 1.251 610 A HN 0.899 nan 8.150 nan 0.000 0.409 611 R N 2.575 123.106 120.500 0.052 0.000 2.221 611 R HA 0.520 4.857 4.340 -0.005 0.000 0.327 611 R C -0.645 175.631 176.300 -0.040 0.000 1.033 611 R CA -0.449 55.659 56.100 0.013 0.000 0.887 611 R CB 0.368 30.698 30.300 0.050 0.000 1.057 611 R HN 0.702 nan 8.270 nan 0.000 0.455 612 I N 4.911 125.428 120.570 -0.089 0.000 2.505 612 I HA -0.090 4.078 4.170 -0.005 0.000 0.287 612 I C 1.130 177.194 176.117 -0.087 0.000 1.104 612 I CA -0.163 61.050 61.300 -0.145 0.000 1.387 612 I CB 0.752 38.560 38.000 -0.320 0.000 1.404 612 I HN 0.695 nan 8.210 nan 0.000 0.528 613 N N 4.477 123.154 118.700 -0.039 0.000 2.120 613 N HA -0.173 4.565 4.740 -0.005 0.000 0.188 613 N C 1.415 176.936 175.510 0.019 0.000 1.024 613 N CA 1.491 54.541 53.050 0.000 0.000 0.852 613 N CB 0.151 38.646 38.487 0.014 0.000 1.003 613 N HN 0.571 nan 8.380 nan 0.000 0.424 614 E N -0.877 119.354 120.200 0.052 0.000 2.208 614 E HA -0.043 4.305 4.350 -0.005 0.000 0.193 614 E C 1.786 178.419 176.600 0.056 0.000 0.988 614 E CA 1.177 57.638 56.400 0.101 0.000 0.828 614 E CB -0.141 29.715 29.700 0.260 0.000 0.763 614 E HN 0.551 nan 8.360 nan 0.000 0.478 615 T N -3.733 110.810 114.554 -0.018 0.000 2.975 615 T HA 0.219 4.566 4.350 -0.005 0.000 0.261 615 T C 0.793 175.472 174.700 -0.034 0.000 0.984 615 T CA -0.377 61.705 62.100 -0.030 0.000 0.911 615 T CB 0.326 69.133 68.868 -0.102 0.000 1.127 615 T HN -0.059 nan 8.240 nan 0.000 0.514 616 R N 0.931 121.408 120.500 -0.039 0.000 4.023 616 R HA -0.126 4.212 4.340 -0.005 0.000 0.368 616 R C -1.113 175.165 176.300 -0.037 0.000 1.187 616 R CA 1.071 57.155 56.100 -0.027 0.000 1.089 616 R CB -2.566 27.731 30.300 -0.004 0.000 1.574 616 R HN 0.492 nan 8.270 nan 0.000 0.564 617 D N 0.375 120.734 120.400 -0.069 0.000 2.478 617 D HA 0.128 4.765 4.640 -0.005 0.000 0.234 617 D C 0.172 176.435 176.300 -0.062 0.000 1.154 617 D CA 0.312 54.269 54.000 -0.071 0.000 0.874 617 D CB 0.774 41.507 40.800 -0.112 0.000 1.198 617 D HN -0.160 nan 8.370 nan 0.000 0.455 618 V N 3.152 123.037 119.914 -0.048 0.000 2.435 618 V HA 0.386 4.503 4.120 -0.005 0.000 0.290 618 V C -0.093 175.953 176.094 -0.079 0.000 1.030 618 V CA -0.602 61.667 62.300 -0.052 0.000 0.881 618 V CB 1.181 32.978 31.823 -0.044 0.000 0.983 618 V HN 0.307 nan 8.190 nan 0.000 0.445 619 L N 4.981 126.158 121.223 -0.078 0.000 2.346 619 L HA 0.948 5.286 4.340 -0.005 0.000 0.276 619 L C -0.166 176.609 176.870 -0.157 0.000 1.006 619 L CA -0.434 54.348 54.840 -0.096 0.000 0.817 619 L CB 1.904 43.943 42.059 -0.034 0.000 1.272 619 L HN 0.705 nan 8.230 nan 0.000 0.421 620 A N 3.088 125.744 122.820 -0.274 0.000 2.574 620 A HA 0.911 5.228 4.320 -0.005 0.000 0.297 620 A C -1.362 176.061 177.584 -0.268 0.000 1.062 620 A CA -0.698 51.109 52.037 -0.382 0.000 0.686 620 A CB 2.171 20.643 19.000 -0.881 0.000 1.285 620 A HN 0.502 nan 8.150 nan 0.000 0.403 621 K N 1.132 121.530 120.400 -0.003 0.000 2.542 621 K HA 0.461 4.778 4.320 -0.005 0.000 0.259 621 K C -1.375 175.435 176.600 0.350 0.000 0.932 621 K CA -0.337 56.045 56.287 0.159 0.000 0.820 621 K CB 2.362 34.985 32.500 0.206 0.000 1.345 621 K HN 1.010 nan 8.250 nan 0.000 0.432 622 Q N 1.199 121.120 119.800 0.201 0.000 2.451 622 Q HA 0.663 5.000 4.340 -0.005 0.000 0.281 622 Q C -0.925 175.066 176.000 -0.014 0.000 1.099 622 Q CA -1.212 54.653 55.803 0.103 0.000 0.806 622 Q CB 2.719 31.397 28.738 -0.100 0.000 1.419 622 Q HN 0.154 nan 8.270 nan 0.000 0.427 623 K N 0.766 121.162 120.400 -0.007 0.000 2.557 623 K HA 0.495 4.812 4.320 -0.005 0.000 0.261 623 K C -1.423 175.325 176.600 0.247 0.000 0.932 623 K CA -0.569 55.751 56.287 0.055 0.000 0.829 623 K CB 2.490 34.820 32.500 -0.283 0.000 1.358 623 K HN 0.759 nan 8.250 nan 0.000 0.430 624 S N 0.069 116.009 115.700 0.401 0.000 2.638 624 S HA 0.729 5.196 4.470 -0.005 0.000 0.298 624 S C -0.543 174.241 174.600 0.306 0.000 1.111 624 S CA -0.475 57.965 58.200 0.400 0.000 1.027 624 S CB 1.835 65.341 63.200 0.510 0.000 1.064 624 S HN 0.504 nan 8.310 nan 0.000 0.525 625 T N 1.216 115.923 114.554 0.256 0.000 2.923 625 T HA 0.606 4.953 4.350 -0.005 0.000 0.311 625 T C -1.238 173.488 174.700 0.043 0.000 1.183 625 T CA -0.554 61.622 62.100 0.128 0.000 1.020 625 T CB 1.227 70.219 68.868 0.207 0.000 1.165 625 T HN 0.532 nan 8.240 nan 0.000 0.482 626 V N 1.654 121.556 119.914 -0.021 0.000 2.864 626 V HA 0.746 4.863 4.120 -0.005 0.000 0.314 626 V C -0.433 175.599 176.094 -0.103 0.000 1.073 626 V CA -1.232 61.041 62.300 -0.045 0.000 0.956 626 V CB 1.376 33.200 31.823 0.002 0.000 1.023 626 V HN 0.786 nan 8.190 nan 0.000 0.435 627 L N 1.966 123.117 121.223 -0.120 0.000 2.380 627 L HA 0.367 4.704 4.340 -0.005 0.000 0.273 627 L C 0.859 177.714 176.870 -0.026 0.000 1.138 627 L CA 0.196 54.976 54.840 -0.101 0.000 0.832 627 L CB 0.897 42.892 42.059 -0.106 0.000 1.124 627 L HN 0.769 nan 8.230 nan 0.000 0.454 628 T N 4.329 118.876 114.554 -0.012 0.000 2.799 628 T HA 0.300 4.647 4.350 -0.005 0.000 0.296 628 T C -0.022 174.709 174.700 0.051 0.000 0.947 628 T CA -0.063 62.046 62.100 0.015 0.000 1.141 628 T CB 0.192 69.063 68.868 0.005 0.000 0.891 628 T HN 0.389 nan 8.240 nan 0.000 0.533 629 I N 4.573 125.189 120.570 0.077 0.000 2.664 629 I HA 0.595 4.762 4.170 -0.005 0.000 0.308 629 I C -2.290 173.885 176.117 0.097 0.000 0.984 629 I CA -2.458 58.897 61.300 0.092 0.000 1.213 629 I CB 0.799 38.857 38.000 0.098 0.000 1.379 629 I HN 0.315 nan 8.210 nan 0.000 0.501 630 P HA 0.099 nan 4.420 nan 0.000 0.268 630 P C -1.280 176.109 177.300 0.148 0.000 1.205 630 P CA -0.031 63.163 63.100 0.157 0.000 0.771 630 P CB 0.262 32.135 31.700 0.289 0.000 0.858 631 E N 2.738 123.019 120.200 0.135 0.000 2.283 631 E HA 0.398 4.745 4.350 -0.005 0.000 0.271 631 E C -0.521 176.176 176.600 0.163 0.000 1.031 631 E CA -0.834 55.633 56.400 0.112 0.000 0.868 631 E CB 0.870 30.619 29.700 0.082 0.000 1.094 631 E HN 0.297 nan 8.360 nan 0.000 0.401 632 I N 2.049 122.684 120.570 0.109 0.000 2.472 632 I HA 0.166 4.334 4.170 -0.005 0.000 0.290 632 I C 0.052 176.226 176.117 0.095 0.000 1.016 632 I CA -0.908 60.471 61.300 0.133 0.000 1.348 632 I CB 0.832 38.866 38.000 0.056 0.000 1.417 632 I HN 0.445 nan 8.210 nan 0.000 0.521 633 I N 6.822 127.448 120.570 0.094 0.000 2.331 633 I HA 0.399 4.566 4.170 -0.005 0.000 0.292 633 I C 0.075 176.211 176.117 0.032 0.000 0.998 633 I CA -0.314 61.015 61.300 0.049 0.000 1.267 633 I CB 1.142 39.162 38.000 0.034 0.000 1.386 633 I HN 0.395 nan 8.210 nan 0.000 0.476 634 I N 7.073 127.650 120.570 0.011 0.000 2.474 634 I HA 0.409 4.576 4.170 -0.005 0.000 0.294 634 I C -0.112 175.991 176.117 -0.023 0.000 1.005 634 I CA -0.623 60.670 61.300 -0.013 0.000 1.113 634 I CB 1.899 39.885 38.000 -0.024 0.000 1.289 634 I HN 0.571 nan 8.210 nan 0.000 0.436 635 K N 5.560 125.939 120.400 -0.035 0.000 2.509 635 K HA 0.869 5.186 4.320 -0.005 0.000 0.266 635 K C -1.623 174.948 176.600 -0.048 0.000 0.987 635 K CA -0.756 55.510 56.287 -0.035 0.000 0.868 635 K CB 2.701 35.187 32.500 -0.024 0.000 1.421 635 K HN 0.398 nan 8.250 nan 0.000 0.444 636 V N -1.736 118.152 119.914 -0.043 0.000 3.007 636 V HA 0.780 4.897 4.120 -0.005 0.000 0.311 636 V C -1.067 175.006 176.094 -0.036 0.000 1.120 636 V CA -0.956 61.315 62.300 -0.047 0.000 0.980 636 V CB 1.670 33.462 31.823 -0.052 0.000 1.033 636 V HN 1.116 nan 8.190 nan 0.000 0.429 637 R N 1.524 122.004 120.500 -0.033 0.000 2.781 637 R HA 0.929 5.266 4.340 -0.005 0.000 0.269 637 R C 0.081 176.367 176.300 -0.024 0.000 1.025 637 R CA -0.140 55.945 56.100 -0.025 0.000 0.914 637 R CB 1.560 31.849 30.300 -0.020 0.000 1.236 637 R HN 2.565 nan 8.270 nan 0.000 0.465 638 G N 0.197 108.986 108.800 -0.018 0.000 2.710 638 G HA2 -0.147 3.810 3.960 -0.005 0.000 0.668 638 G HA3 -0.147 3.810 3.960 -0.005 0.000 0.668 638 G C -0.889 174.001 174.900 -0.016 0.000 1.320 638 G CA -0.225 44.867 45.100 -0.015 0.000 0.860 638 G HN 0.739 nan 8.290 nan 0.000 0.538 639 T N -0.164 114.383 114.554 -0.011 0.000 2.889 639 T HA 0.558 4.905 4.350 -0.005 0.000 0.291 639 T C 0.482 175.174 174.700 -0.014 0.000 0.995 639 T CA 0.222 62.315 62.100 -0.012 0.000 1.092 639 T CB 0.704 69.568 68.868 -0.006 0.000 0.954 639 T HN 0.509 nan 8.240 nan 0.000 0.506 640 Q N 3.166 122.955 119.800 -0.018 0.000 2.730 640 Q HA 0.497 4.834 4.340 -0.005 0.000 0.244 640 Q C -1.292 174.696 176.000 -0.018 0.000 1.176 640 Q CA -0.464 55.325 55.803 -0.024 0.000 1.024 640 Q CB 0.954 29.672 28.738 -0.033 0.000 1.215 640 Q HN 0.371 nan 8.270 nan 0.000 0.542 641 V N 1.394 121.302 119.914 -0.009 0.000 2.686 641 V HA 0.286 4.404 4.120 -0.005 0.000 0.306 641 V C 0.049 176.151 176.094 0.014 0.000 1.065 641 V CA -1.001 61.300 62.300 0.002 0.000 0.894 641 V CB 2.151 33.977 31.823 0.006 0.000 1.004 641 V HN 0.275 nan 8.190 nan 0.000 0.424 642 V N 3.873 123.800 119.914 0.021 0.000 2.599 642 V HA 0.399 4.516 4.120 -0.005 0.000 0.300 642 V C 1.537 177.668 176.094 0.062 0.000 1.034 642 V CA 1.444 63.773 62.300 0.049 0.000 1.115 642 V CB 0.250 32.108 31.823 0.059 0.000 0.934 642 V HN 1.438 nan 8.190 nan 0.000 0.485 643 G N 3.658 112.511 108.800 0.088 0.000 2.162 643 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.260 643 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.260 643 G C 0.268 175.203 174.900 0.058 0.000 0.976 643 G CA 0.285 45.433 45.100 0.080 0.000 0.655 643 G HN 0.813 nan 8.290 nan 0.000 0.533 644 S N 0.348 116.077 115.700 0.048 0.000 2.513 644 S HA 0.529 4.997 4.470 -0.005 0.000 0.299 644 S C -0.612 174.005 174.600 0.029 0.000 1.087 644 S CA -0.671 57.548 58.200 0.032 0.000 1.012 644 S CB 1.474 64.686 63.200 0.019 0.000 1.044 644 S HN 0.255 nan 8.310 nan 0.000 0.485 645 D N 3.465 123.880 120.400 0.025 0.000 2.450 645 D HA 0.236 4.874 4.640 -0.005 0.000 0.247 645 D C 0.243 176.545 176.300 0.004 0.000 1.162 645 D CA 0.555 54.566 54.000 0.019 0.000 0.879 645 D CB 0.317 41.129 40.800 0.019 0.000 1.163 645 D HN 0.474 nan 8.370 nan 0.000 0.472 646 M N -0.438 119.158 119.600 -0.006 0.000 2.662 646 M HA 0.594 5.071 4.480 -0.005 0.000 0.310 646 M C -0.718 175.564 176.300 -0.029 0.000 1.204 646 M CA -0.765 54.523 55.300 -0.020 0.000 0.891 646 M CB 2.146 34.727 32.600 -0.032 0.000 1.732 646 M HN -0.088 nan 8.290 nan 0.000 0.467 647 T N 1.838 116.371 114.554 -0.036 0.000 2.797 647 T HA 0.632 4.979 4.350 -0.005 0.000 0.279 647 T C -0.602 174.057 174.700 -0.069 0.000 0.991 647 T CA -0.549 61.523 62.100 -0.047 0.000 0.979 647 T CB 1.634 70.484 68.868 -0.031 0.000 0.943 647 T HN 0.520 nan 8.240 nan 0.000 0.444 648 V N 3.434 123.285 119.914 -0.107 0.000 2.495 648 V HA 0.521 4.638 4.120 -0.005 0.000 0.298 648 V C 0.156 176.152 176.094 -0.162 0.000 1.031 648 V CA -0.849 61.371 62.300 -0.132 0.000 0.871 648 V CB 1.970 33.693 31.823 -0.165 0.000 0.988 648 V HN 0.964 nan 8.190 nan 0.000 0.432 649 T N 3.783 118.270 114.554 -0.112 0.000 2.771 649 T HA 0.505 4.853 4.350 -0.005 0.000 0.281 649 T C -0.259 174.395 174.700 -0.076 0.000 0.982 649 T CA -0.402 61.647 62.100 -0.086 0.000 0.978 649 T CB 1.559 70.410 68.868 -0.030 0.000 0.930 649 T HN 0.349 nan 8.240 nan 0.000 0.447 650 V N 4.256 124.133 119.914 -0.062 0.000 2.348 650 V HA 0.358 4.475 4.120 -0.005 0.000 0.270 650 V C 0.143 176.300 176.094 0.105 0.000 1.037 650 V CA -0.523 61.795 62.300 0.030 0.000 0.872 650 V CB 1.036 32.936 31.823 0.129 0.000 1.002 650 V HN 0.837 nan 8.190 nan 0.000 0.464 651 Q N 4.468 124.318 119.800 0.082 0.000 2.333 651 Q HA 0.543 4.881 4.340 -0.005 0.000 0.268 651 Q C -1.761 174.329 176.000 0.150 0.000 1.007 651 Q CA -0.593 55.256 55.803 0.077 0.000 0.810 651 Q CB 1.561 30.322 28.738 0.039 0.000 1.264 651 Q HN 0.634 nan 8.270 nan 0.000 0.452 652 F N 2.654 122.554 119.950 -0.083 0.000 2.507 652 F HA 0.460 4.985 4.527 -0.004 0.000 0.328 652 F C -1.098 174.645 175.800 -0.095 0.000 1.136 652 F CA -0.569 57.380 58.000 -0.086 0.000 0.930 652 F CB 2.069 41.005 39.000 -0.107 0.000 1.166 652 F HN 0.383 nan 8.300 nan 0.000 0.436 653 T N 5.505 119.658 114.554 -0.668 0.000 2.929 653 T HA 0.125 4.472 4.350 -0.005 0.000 0.331 653 T C -0.247 173.827 174.700 -1.043 0.000 1.120 653 T CA -0.556 61.136 62.100 -0.681 0.000 0.973 653 T CB -0.168 68.512 68.868 -0.314 0.000 1.036 653 T HN 0.569 nan 8.240 nan 0.000 0.502 654 N N 5.016 123.025 118.700 -1.151 0.000 2.301 654 N HA -0.008 4.729 4.740 -0.005 0.000 0.267 654 N C -1.786 173.547 175.510 -0.294 0.000 1.304 654 N CA -1.398 51.283 53.050 -0.614 0.000 0.851 654 N CB 0.811 39.122 38.487 -0.292 0.000 1.070 654 N HN 0.229 nan 8.380 nan 0.000 0.483 655 P HA 0.211 nan 4.420 nan 0.000 0.282 655 P C -0.560 176.720 177.300 -0.033 0.000 1.373 655 P CA -0.064 62.985 63.100 -0.084 0.000 1.001 655 P CB 0.603 32.271 31.700 -0.053 0.000 1.489 656 L N 0.581 121.792 121.223 -0.020 0.000 2.334 656 L HA 0.386 4.724 4.340 -0.005 0.000 0.270 656 L C 1.547 178.416 176.870 -0.002 0.000 1.018 656 L CA -0.225 54.620 54.840 0.008 0.000 0.811 656 L CB 1.471 43.554 42.059 0.039 0.000 1.271 656 L HN -0.344 nan 8.230 nan 0.000 0.443 657 K N -0.000 120.401 120.400 0.002 0.000 2.379 657 K HA 0.191 4.508 4.320 -0.005 0.000 0.194 657 K C 0.143 176.744 176.600 0.002 0.000 1.031 657 K CA 0.084 56.369 56.287 -0.003 0.000 1.037 657 K CB 0.096 32.592 32.500 -0.005 0.000 0.824 657 K HN 0.441 nan 8.250 nan 0.000 0.516 658 E N 2.042 122.249 120.200 0.011 0.000 2.392 658 E HA 0.021 4.368 4.350 -0.005 0.000 0.259 658 E C -0.084 176.525 176.600 0.015 0.000 1.108 658 E CA 0.189 56.599 56.400 0.015 0.000 0.916 658 E CB 0.861 30.576 29.700 0.025 0.000 0.989 658 E HN 0.146 nan 8.360 nan 0.000 0.432 659 T N -0.017 114.545 114.554 0.015 0.000 2.739 659 T HA 0.369 4.716 4.350 -0.005 0.000 0.298 659 T C 0.628 175.345 174.700 0.030 0.000 0.929 659 T CA -0.685 61.425 62.100 0.016 0.000 1.014 659 T CB -0.295 68.579 68.868 0.010 0.000 0.914 659 T HN 0.217 nan 8.240 nan 0.000 0.509 660 L N 3.537 124.787 121.223 0.045 0.000 2.490 660 L HA 0.352 4.689 4.340 -0.005 0.000 0.274 660 L C 1.175 178.076 176.870 0.051 0.000 1.201 660 L CA -0.309 54.571 54.840 0.066 0.000 0.869 660 L CB 0.195 42.322 42.059 0.113 0.000 1.123 660 L HN 0.526 nan 8.230 nan 0.000 0.484 661 R N 2.597 123.125 120.500 0.046 0.000 2.778 661 R HA 0.235 4.572 4.340 -0.005 0.000 0.277 661 R C -0.357 175.955 176.300 0.020 0.000 0.977 661 R CA -0.851 55.264 56.100 0.026 0.000 0.950 661 R CB 1.275 31.590 30.300 0.025 0.000 1.165 661 R HN 0.732 nan 8.270 nan 0.000 0.474 662 N N 0.612 119.294 118.700 -0.031 0.000 2.691 662 N HA -0.196 4.541 4.740 -0.005 0.000 0.277 662 N C -0.607 174.836 175.510 -0.112 0.000 1.029 662 N CA 0.102 53.080 53.050 -0.120 0.000 0.798 662 N CB -0.490 37.982 38.487 -0.025 0.000 0.922 662 N HN 0.192 nan 8.380 nan 0.000 0.562 663 V N 1.558 121.417 119.914 -0.091 0.000 2.223 663 V HA 0.060 4.178 4.120 -0.005 0.000 0.249 663 V C 0.403 176.505 176.094 0.012 0.000 1.233 663 V CA -0.390 61.920 62.300 0.017 0.000 1.131 663 V CB -0.744 31.127 31.823 0.081 0.000 1.298 663 V HN 0.359 nan 8.190 nan 0.000 0.498 664 W N 2.996 124.313 121.300 0.028 0.000 2.381 664 W HA 0.385 5.038 4.660 -0.011 0.000 0.321 664 W C 0.079 176.619 176.519 0.035 0.000 1.407 664 W CA -0.039 57.300 57.345 -0.010 0.000 1.274 664 W CB 0.432 29.890 29.460 -0.003 0.000 1.310 664 W HN 0.228 nan 8.180 nan 0.000 0.551 665 V N 4.470 124.513 119.914 0.215 0.000 2.581 665 V HA 0.377 4.494 4.120 -0.005 0.000 0.303 665 V C -0.062 176.172 176.094 0.233 0.000 1.041 665 V CA -1.044 61.399 62.300 0.239 0.000 0.907 665 V CB 1.481 33.474 31.823 0.284 0.000 0.994 665 V HN 0.423 nan 8.190 nan 0.000 0.442 666 H N 3.724 122.950 119.070 0.260 0.000 2.589 666 H HA 0.592 5.145 4.556 -0.005 0.000 0.351 666 H C -1.224 174.289 175.328 0.309 0.000 1.074 666 H CA -0.616 55.590 56.048 0.264 0.000 1.203 666 H CB 2.724 32.549 29.762 0.105 0.000 1.558 666 H HN 0.465 nan 8.280 nan 0.000 0.522 667 L N 2.614 124.097 121.223 0.433 0.000 2.354 667 L HA 0.512 4.850 4.340 -0.005 0.000 0.269 667 L C -0.918 176.030 176.870 0.130 0.000 1.005 667 L CA -0.190 54.765 54.840 0.193 0.000 0.819 667 L CB 1.835 43.875 42.059 -0.031 0.000 1.311 667 L HN 0.643 nan 8.230 nan 0.000 0.423 668 D N 1.600 122.025 120.400 0.041 0.000 2.677 668 D HA 0.785 5.422 4.640 -0.005 0.000 0.298 668 D C -1.378 174.892 176.300 -0.049 0.000 1.250 668 D CA 0.413 54.417 54.000 0.007 0.000 0.888 668 D CB 2.520 43.301 40.800 -0.032 0.000 1.397 668 D HN 0.915 nan 8.370 nan 0.000 0.461 669 G N 1.369 110.124 108.800 -0.075 0.000 2.177 669 G HA2 0.223 4.180 3.960 -0.005 0.000 0.202 669 G HA3 0.223 4.180 3.960 -0.005 0.000 0.202 669 G C -3.229 171.582 174.900 -0.148 0.000 1.581 669 G CA -0.889 44.144 45.100 -0.112 0.000 0.983 669 G HN 0.247 nan 8.290 nan 0.000 0.689 670 P HA 0.468 nan 4.420 nan 0.000 0.286 670 P C 1.088 178.233 177.300 -0.258 0.000 1.269 670 P CA 1.157 64.195 63.100 -0.102 0.000 0.787 670 P CB 1.487 33.178 31.700 -0.015 0.000 0.920 671 G N 2.130 110.615 108.800 -0.525 0.000 2.199 671 G HA2 -0.271 3.686 3.960 -0.005 0.000 0.254 671 G HA3 -0.271 3.686 3.960 -0.005 0.000 0.254 671 G C 0.580 174.626 174.900 -1.423 0.000 0.982 671 G CA 0.338 44.760 45.100 -1.130 0.000 0.632 671 G HN 0.388 nan 8.290 nan 0.000 0.529 672 V N -0.844 118.480 119.914 -0.983 0.000 2.806 672 V HA 0.491 4.608 4.120 -0.005 0.000 0.239 672 V C 1.111 176.874 176.094 -0.552 0.000 1.113 672 V CA 1.920 63.840 62.300 -0.635 0.000 1.137 672 V CB 0.988 32.623 31.823 -0.312 0.000 0.865 672 V HN 0.750 nan 8.190 nan 0.000 0.482 673 T N 0.583 114.898 114.554 -0.398 0.000 2.894 673 T HA 0.426 4.774 4.350 -0.005 0.000 0.309 673 T C -0.460 174.391 174.700 0.251 0.000 1.208 673 T CA -0.782 61.329 62.100 0.019 0.000 1.016 673 T CB 1.847 70.725 68.868 0.016 0.000 1.192 673 T HN 0.462 nan 8.240 nan 0.000 0.491 674 R N 2.143 122.910 120.500 0.446 0.000 2.840 674 R HA 0.376 4.713 4.340 -0.005 0.000 0.282 674 R C -2.590 173.821 176.300 0.184 0.000 1.133 674 R CA -1.124 55.153 56.100 0.296 0.000 1.208 674 R CB -1.047 29.395 30.300 0.237 0.000 1.160 674 R HN 0.321 nan 8.270 nan 0.000 0.576 675 P HA 0.191 nan 4.420 nan 0.000 0.276 675 P C -0.821 176.589 177.300 0.184 0.000 1.235 675 P CA 0.360 63.553 63.100 0.156 0.000 0.772 675 P CB 0.900 32.691 31.700 0.152 0.000 0.871 676 M N 3.107 122.843 119.600 0.227 0.000 2.572 676 M HA 0.478 4.955 4.480 -0.005 0.000 0.299 676 M C -0.306 176.161 176.300 0.277 0.000 1.205 676 M CA -0.686 54.776 55.300 0.270 0.000 0.876 676 M CB 2.965 35.786 32.600 0.369 0.000 1.728 676 M HN 0.216 nan 8.290 nan 0.000 0.458 677 K N 1.093 121.546 120.400 0.089 0.000 2.477 677 K HA 0.706 5.023 4.320 -0.005 0.000 0.255 677 K C -1.704 174.703 176.600 -0.323 0.000 0.952 677 K CA -1.125 55.049 56.287 -0.188 0.000 0.826 677 K CB 3.052 35.237 32.500 -0.525 0.000 1.331 677 K HN 0.523 nan 8.250 nan 0.000 0.437 678 K N 2.165 122.224 120.400 -0.568 0.000 2.464 678 K HA 0.358 4.676 4.320 -0.005 0.000 0.253 678 K C -1.584 174.725 176.600 -0.484 0.000 0.933 678 K CA -0.817 55.014 56.287 -0.759 0.000 0.801 678 K CB 2.415 33.937 32.500 -1.630 0.000 1.271 678 K HN 0.789 nan 8.250 nan 0.000 0.430 679 M N 3.568 122.710 119.600 -0.762 0.000 2.311 679 M HA 0.438 4.915 4.480 -0.005 0.000 0.325 679 M C -1.641 174.227 176.300 -0.720 0.000 1.061 679 M CA -0.647 54.123 55.300 -0.884 0.000 0.957 679 M CB 0.776 32.345 32.600 -1.718 0.000 1.646 679 M HN 0.398 nan 8.290 nan 0.000 0.434 680 F N 4.231 123.948 119.950 -0.389 0.000 2.385 680 F HA 0.428 4.952 4.527 -0.006 0.000 0.360 680 F C 1.309 176.977 175.800 -0.220 0.000 1.122 680 F CA -0.652 57.202 58.000 -0.244 0.000 1.090 680 F CB 0.786 39.709 39.000 -0.128 0.000 1.150 680 F HN 0.656 nan 8.300 nan 0.000 0.472 681 R N 2.779 123.224 120.500 -0.091 0.000 2.133 681 R HA -0.179 4.158 4.340 -0.005 0.000 0.247 681 R C -0.415 175.869 176.300 -0.027 0.000 1.151 681 R CA 2.093 58.138 56.100 -0.092 0.000 0.971 681 R CB -0.157 30.093 30.300 -0.083 0.000 0.866 681 R HN 0.896 nan 8.270 nan 0.000 0.447 682 E N -1.230 118.984 120.200 0.024 0.000 2.380 682 E HA 0.365 4.712 4.350 -0.005 0.000 0.281 682 E C -1.305 175.323 176.600 0.046 0.000 0.999 682 E CA -0.702 55.716 56.400 0.030 0.000 0.800 682 E CB 0.951 30.659 29.700 0.014 0.000 1.228 682 E HN 0.077 nan 8.360 nan 0.000 0.436 683 I N 2.309 122.901 120.570 0.037 0.000 2.390 683 I HA 0.395 4.563 4.170 -0.005 0.000 0.283 683 I C -0.498 175.615 176.117 -0.008 0.000 1.016 683 I CA -0.960 60.344 61.300 0.006 0.000 1.151 683 I CB 1.200 39.198 38.000 -0.004 0.000 1.293 683 I HN 0.384 nan 8.210 nan 0.000 0.458 684 R N 6.471 126.961 120.500 -0.017 0.000 2.641 684 R HA 0.297 4.635 4.340 -0.005 0.000 0.269 684 R C -2.461 173.817 176.300 -0.038 0.000 1.074 684 R CA -1.544 54.545 56.100 -0.019 0.000 1.133 684 R CB -0.444 29.848 30.300 -0.015 0.000 1.029 684 R HN 0.236 nan 8.270 nan 0.000 0.488 685 P HA -0.287 nan 4.420 nan 0.000 0.255 685 P C -0.053 177.212 177.300 -0.058 0.000 1.151 685 P CA 1.158 64.234 63.100 -0.040 0.000 0.767 685 P CB 0.014 31.699 31.700 -0.025 0.000 0.736 686 N N 0.174 118.822 118.700 -0.088 0.000 2.965 686 N HA -0.186 4.552 4.740 -0.005 0.000 0.232 686 N C -0.171 175.270 175.510 -0.115 0.000 0.913 686 N CA 0.644 53.633 53.050 -0.102 0.000 0.981 686 N CB -0.866 37.581 38.487 -0.067 0.000 1.077 686 N HN 0.549 nan 8.380 nan 0.000 0.589 687 S N -0.322 115.312 115.700 -0.111 0.000 2.593 687 S HA 0.446 4.913 4.470 -0.005 0.000 0.269 687 S C 0.230 174.728 174.600 -0.169 0.000 1.334 687 S CA 0.013 58.148 58.200 -0.109 0.000 1.015 687 S CB 1.873 65.029 63.200 -0.074 0.000 0.912 687 S HN 0.189 nan 8.310 nan 0.000 0.541 688 T N 1.505 115.975 114.554 -0.141 0.000 2.859 688 T HA 0.607 4.955 4.350 -0.005 0.000 0.281 688 T C 0.107 174.720 174.700 -0.144 0.000 1.005 688 T CA -0.658 61.342 62.100 -0.165 0.000 1.025 688 T CB 1.237 70.033 68.868 -0.119 0.000 0.977 688 T HN 0.893 nan 8.240 nan 0.000 0.458 689 V N 1.153 120.943 119.914 -0.207 0.000 2.850 689 V HA 0.750 4.867 4.120 -0.005 0.000 0.315 689 V C -0.776 175.218 176.094 -0.167 0.000 1.064 689 V CA -0.886 61.242 62.300 -0.287 0.000 0.979 689 V CB 1.680 32.977 31.823 -0.876 0.000 1.039 689 V HN 0.852 nan 8.190 nan 0.000 0.452 690 Q N 1.298 121.090 119.800 -0.013 0.000 2.379 690 Q HA 0.480 4.818 4.340 -0.005 0.000 0.278 690 Q C -2.145 174.100 176.000 0.408 0.000 1.068 690 Q CA -0.376 55.509 55.803 0.137 0.000 0.816 690 Q CB 3.201 31.999 28.738 0.100 0.000 1.387 690 Q HN 0.926 nan 8.270 nan 0.000 0.413 691 W N 3.373 124.775 121.300 0.170 0.000 2.756 691 W HA 0.352 5.001 4.660 -0.019 0.000 0.333 691 W C -1.366 175.222 176.519 0.116 0.000 1.025 691 W CA -0.467 57.011 57.345 0.222 0.000 1.246 691 W CB 1.110 30.774 29.460 0.341 0.000 1.358 691 W HN 0.463 nan 8.180 nan 0.000 0.444 692 E N 3.784 124.046 120.200 0.103 0.000 2.191 692 E HA 0.342 4.689 4.350 -0.005 0.000 0.278 692 E C -1.109 175.372 176.600 -0.198 0.000 0.972 692 E CA -0.928 55.415 56.400 -0.095 0.000 0.804 692 E CB 2.640 32.346 29.700 0.010 0.000 1.110 692 E HN 0.353 nan 8.360 nan 0.000 0.394 693 E N 1.599 121.615 120.200 -0.307 0.000 2.248 693 E HA 0.249 4.596 4.350 -0.005 0.000 0.267 693 E C -1.501 175.032 176.600 -0.111 0.000 0.877 693 E CA -0.772 55.502 56.400 -0.209 0.000 0.759 693 E CB 1.824 31.306 29.700 -0.363 0.000 1.182 693 E HN 0.197 nan 8.360 nan 0.000 0.418 694 V N 4.314 124.208 119.914 -0.034 0.000 2.408 694 V HA 0.245 4.362 4.120 -0.005 0.000 0.267 694 V C -0.072 176.020 176.094 -0.002 0.000 1.047 694 V CA -0.559 61.731 62.300 -0.016 0.000 0.937 694 V CB 0.319 32.149 31.823 0.011 0.000 0.999 694 V HN 0.788 nan 8.190 nan 0.000 0.472 695 C N 4.779 124.071 119.300 -0.014 0.000 2.401 695 C HA 0.692 5.149 4.460 -0.005 0.000 0.356 695 C C 0.591 175.604 174.990 0.039 0.000 1.192 695 C CA -0.868 58.159 59.018 0.016 0.000 2.028 695 C CB 1.333 29.054 27.740 -0.031 0.000 2.344 695 C HN 0.931 nan 8.230 nan 0.000 0.525 696 R N 1.704 122.261 120.500 0.095 0.000 2.629 696 R HA 0.282 4.619 4.340 -0.005 0.000 0.275 696 R C -2.717 173.687 176.300 0.173 0.000 1.719 696 R CA -0.973 55.197 56.100 0.118 0.000 1.472 696 R CB 0.790 31.169 30.300 0.133 0.000 1.237 696 R HN 0.550 nan 8.270 nan 0.000 0.589 697 P HA -0.088 nan 4.420 nan 0.000 0.266 697 P C -0.373 177.007 177.300 0.133 0.000 1.193 697 P CA 0.166 63.227 63.100 -0.065 0.000 0.770 697 P CB 0.266 31.900 31.700 -0.110 0.000 0.836 698 W N 1.021 122.334 121.300 0.021 0.000 2.870 698 W HA 0.519 5.202 4.660 0.038 0.000 0.358 698 W C -0.996 175.538 176.519 0.025 0.000 1.043 698 W CA -0.403 56.957 57.345 0.025 0.000 1.692 698 W CB -0.236 29.242 29.460 0.030 0.000 1.100 698 W HN -0.121 nan 8.180 nan 0.000 0.557 699 V N 2.534 122.404 119.914 -0.074 0.000 2.656 699 V HA 0.546 4.663 4.120 -0.005 0.000 0.307 699 V C 0.188 176.247 176.094 -0.058 0.000 1.051 699 V CA -0.726 61.544 62.300 -0.051 0.000 0.893 699 V CB 1.735 33.483 31.823 -0.126 0.000 0.999 699 V HN 0.124 nan 8.190 nan 0.000 0.426 700 S N 3.165 118.857 115.700 -0.013 0.000 2.690 700 S HA 0.994 5.461 4.470 -0.005 0.000 0.291 700 S C 0.146 174.745 174.600 -0.002 0.000 1.138 700 S CA 0.388 58.585 58.200 -0.006 0.000 1.013 700 S CB 1.799 65.007 63.200 0.013 0.000 1.053 700 S HN 2.378 nan 8.310 nan 0.000 0.539 701 G N 0.877 109.682 108.800 0.008 0.000 2.428 701 G HA2 -0.043 3.914 3.960 -0.005 0.000 0.202 701 G HA3 -0.043 3.914 3.960 -0.005 0.000 0.202 701 G C -0.703 174.239 174.900 0.069 0.000 1.247 701 G CA -0.217 44.904 45.100 0.034 0.000 1.020 701 G HN 1.396 nan 8.290 nan 0.000 0.529 702 H N 2.559 121.610 119.070 -0.031 0.000 3.160 702 H HA 0.519 5.071 4.556 -0.006 0.000 0.257 702 H C 1.011 176.312 175.328 -0.044 0.000 1.140 702 H CA 0.430 56.458 56.048 -0.034 0.000 1.492 702 H CB -0.063 29.685 29.762 -0.024 0.000 1.529 702 H HN 0.554 nan 8.280 nan 0.000 0.490 703 R N 3.433 124.100 120.500 0.278 0.000 3.107 703 R HA 0.543 4.881 4.340 -0.005 0.000 0.220 703 R C -0.510 175.863 176.300 0.122 0.000 1.602 703 R CA -1.005 55.164 56.100 0.114 0.000 1.005 703 R CB 0.643 30.928 30.300 -0.024 0.000 2.057 703 R HN 0.517 nan 8.270 nan 0.000 0.531 704 K N 0.396 120.795 120.400 -0.002 0.000 2.582 704 K HA 0.346 4.663 4.320 -0.005 0.000 0.259 704 K C -1.486 175.081 176.600 -0.055 0.000 0.973 704 K CA -0.176 56.106 56.287 -0.008 0.000 0.880 704 K CB 1.364 33.859 32.500 -0.008 0.000 1.310 704 K HN 0.269 nan 8.250 nan 0.000 0.443 705 L N 4.655 125.846 121.223 -0.054 0.000 2.325 705 L HA 0.610 4.947 4.340 -0.005 0.000 0.279 705 L C -0.331 176.509 176.870 -0.049 0.000 1.054 705 L CA -0.757 54.042 54.840 -0.068 0.000 0.804 705 L CB 1.088 43.100 42.059 -0.078 0.000 1.200 705 L HN 0.519 nan 8.230 nan 0.000 0.436 706 I N 1.996 122.540 120.570 -0.045 0.000 2.569 706 I HA 0.697 4.864 4.170 -0.005 0.000 0.290 706 I C -0.728 175.399 176.117 0.017 0.000 1.088 706 I CA -0.258 61.026 61.300 -0.026 0.000 1.047 706 I CB 2.135 40.095 38.000 -0.067 0.000 1.237 706 I HN 0.699 nan 8.210 nan 0.000 0.421 707 A N 4.086 126.939 122.820 0.055 0.000 2.587 707 A HA 0.935 5.252 4.320 -0.005 0.000 0.293 707 A C -0.963 176.690 177.584 0.115 0.000 1.087 707 A CA -0.424 51.675 52.037 0.104 0.000 0.692 707 A CB 2.084 21.139 19.000 0.091 0.000 1.291 707 A HN 0.670 nan 8.150 nan 0.000 0.407 708 S N 0.859 116.617 115.700 0.096 0.000 2.638 708 S HA 0.861 5.329 4.470 -0.005 0.000 0.274 708 S C -0.851 173.691 174.600 -0.097 0.000 1.157 708 S CA -0.594 57.562 58.200 -0.073 0.000 0.826 708 S CB 1.949 65.112 63.200 -0.062 0.000 1.139 708 S HN 1.585 nan 8.310 nan 0.000 0.474 709 M N 1.863 121.289 119.600 -0.289 0.000 2.378 709 M HA 0.592 5.069 4.480 -0.005 0.000 0.289 709 M C -1.948 174.219 176.300 -0.223 0.000 1.136 709 M CA -0.118 55.055 55.300 -0.211 0.000 0.917 709 M CB 1.928 34.249 32.600 -0.465 0.000 1.669 709 M HN 0.883 nan 8.290 nan 0.000 0.461 710 S N 2.120 117.791 115.700 -0.048 0.000 2.571 710 S HA 0.738 5.205 4.470 -0.005 0.000 0.284 710 S C -0.515 174.146 174.600 0.102 0.000 1.128 710 S CA -0.665 57.527 58.200 -0.013 0.000 0.970 710 S CB 1.992 65.180 63.200 -0.020 0.000 1.039 710 S HN 0.794 nan 8.310 nan 0.000 0.485 711 S N 1.243 116.988 115.700 0.075 0.000 2.776 711 S HA 0.516 4.983 4.470 -0.005 0.000 0.306 711 S C 0.263 174.937 174.600 0.123 0.000 1.114 711 S CA -0.523 57.742 58.200 0.108 0.000 0.973 711 S CB 0.430 63.677 63.200 0.078 0.000 1.250 711 S HN 0.429 nan 8.310 nan 0.000 0.549 712 D N 0.754 121.219 120.400 0.108 0.000 2.218 712 D HA -0.006 4.631 4.640 -0.005 0.000 0.204 712 D C 1.863 178.212 176.300 0.082 0.000 0.976 712 D CA 1.816 55.874 54.000 0.098 0.000 0.853 712 D CB -0.065 40.779 40.800 0.074 0.000 0.939 712 D HN 0.567 nan 8.370 nan 0.000 0.481 713 S N -0.837 114.908 115.700 0.075 0.000 3.214 713 S HA 0.087 4.554 4.470 -0.005 0.000 0.182 713 S C 0.555 175.196 174.600 0.068 0.000 0.728 713 S CA -0.517 57.724 58.200 0.068 0.000 0.814 713 S CB -0.351 62.884 63.200 0.058 0.000 0.859 713 S HN 0.072 nan 8.310 nan 0.000 0.647 714 L N 4.464 125.725 121.223 0.064 0.000 2.540 714 L HA 0.388 4.726 4.340 -0.005 0.000 0.276 714 L C 0.079 176.958 176.870 0.015 0.000 1.212 714 L CA 0.387 55.258 54.840 0.052 0.000 0.893 714 L CB -0.065 42.040 42.059 0.077 0.000 1.138 714 L HN 0.765 nan 8.230 nan 0.000 0.491 715 R N 2.064 122.562 120.500 -0.003 0.000 3.014 715 R HA 0.383 4.720 4.340 -0.005 0.000 0.262 715 R C -0.462 175.808 176.300 -0.050 0.000 1.066 715 R CA -0.806 55.258 56.100 -0.061 0.000 0.939 715 R CB 0.241 30.531 30.300 -0.016 0.000 1.372 715 R HN 0.523 nan 8.270 nan 0.000 0.431 716 H N -1.434 117.461 119.070 -0.293 0.000 2.826 716 H HA -0.084 4.470 4.556 -0.003 0.000 0.306 716 H C -1.545 173.452 175.328 -0.552 0.000 1.235 716 H CA 0.697 56.513 56.048 -0.387 0.000 1.150 716 H CB -0.750 28.919 29.762 -0.155 0.000 1.409 716 H HN 0.353 nan 8.280 nan 0.000 0.420 717 V N 1.978 121.428 119.914 -0.774 0.000 2.370 717 V HA 0.403 4.521 4.120 -0.005 0.000 0.283 717 V C 0.043 175.561 176.094 -0.960 0.000 1.023 717 V CA -0.435 61.473 62.300 -0.655 0.000 0.857 717 V CB 0.790 32.299 31.823 -0.524 0.000 0.985 717 V HN 0.254 nan 8.190 nan 0.000 0.443 718 Y N 2.180 122.396 120.300 -0.140 0.000 2.598 718 Y HA 0.904 5.449 4.550 -0.007 0.000 0.340 718 Y C 0.659 176.523 175.900 -0.059 0.000 1.038 718 Y CA -0.800 57.227 58.100 -0.121 0.000 1.100 718 Y CB 2.464 40.831 38.460 -0.155 0.000 1.281 718 Y HN 0.742 nan 8.280 nan 0.000 0.488 719 G N 0.187 109.057 108.800 0.116 0.000 2.698 719 G HA2 0.638 4.595 3.960 -0.005 0.000 0.293 719 G HA3 0.638 4.595 3.960 -0.005 0.000 0.293 719 G C -1.856 173.073 174.900 0.048 0.000 1.437 719 G CA -1.009 44.133 45.100 0.070 0.000 0.852 719 G HN 0.650 nan 8.290 nan 0.000 0.499 720 E N -1.026 119.188 120.200 0.023 0.000 2.458 720 E HA 0.735 5.082 4.350 -0.005 0.000 0.278 720 E C -2.013 174.583 176.600 -0.007 0.000 1.004 720 E CA -1.122 55.279 56.400 0.001 0.000 0.823 720 E CB 2.580 32.273 29.700 -0.011 0.000 1.396 720 E HN 0.615 nan 8.360 nan 0.000 0.463 721 L N 1.361 122.574 121.223 -0.018 0.000 2.439 721 L HA 0.419 4.756 4.340 -0.005 0.000 0.270 721 L C -1.671 175.185 176.870 -0.024 0.000 0.972 721 L CA -0.476 54.349 54.840 -0.024 0.000 0.836 721 L CB 1.781 43.819 42.059 -0.034 0.000 1.255 721 L HN 0.522 nan 8.230 nan 0.000 0.404 722 D N 4.312 124.698 120.400 -0.024 0.000 2.383 722 D HA 0.388 5.025 4.640 -0.005 0.000 0.252 722 D C -0.195 176.056 176.300 -0.083 0.000 1.166 722 D CA 0.433 54.411 54.000 -0.038 0.000 0.879 722 D CB 1.569 42.314 40.800 -0.091 0.000 1.164 722 D HN 0.433 nan 8.370 nan 0.000 0.462 723 V N 0.320 120.189 119.914 -0.074 0.000 2.735 723 V HA 0.505 4.622 4.120 -0.005 0.000 0.310 723 V C -0.486 175.555 176.094 -0.090 0.000 1.061 723 V CA -1.060 61.191 62.300 -0.082 0.000 0.913 723 V CB 2.081 33.865 31.823 -0.064 0.000 1.005 723 V HN 0.168 nan 8.190 nan 0.000 0.428 724 Q N 3.143 122.886 119.800 -0.094 0.000 2.303 724 Q HA 0.615 4.952 4.340 -0.005 0.000 0.257 724 Q C -0.936 175.037 176.000 -0.045 0.000 0.941 724 Q CA -0.398 55.360 55.803 -0.075 0.000 0.931 724 Q CB 1.348 30.036 28.738 -0.084 0.000 1.215 724 Q HN 0.776 nan 8.270 nan 0.000 0.437 725 I N 3.594 124.147 120.570 -0.029 0.000 2.354 725 I HA 0.305 4.472 4.170 -0.005 0.000 0.292 725 I C 0.163 176.272 176.117 -0.015 0.000 0.989 725 I CA -0.750 60.534 61.300 -0.028 0.000 1.188 725 I CB 1.468 39.445 38.000 -0.039 0.000 1.342 725 I HN 0.639 nan 8.210 nan 0.000 0.457 726 Q N 4.820 124.613 119.800 -0.012 0.000 2.222 726 Q HA 0.643 4.980 4.340 -0.005 0.000 0.211 726 Q C -0.192 175.810 176.000 0.004 0.000 1.013 726 Q CA -0.127 55.674 55.803 -0.005 0.000 0.993 726 Q CB 0.932 29.667 28.738 -0.006 0.000 1.151 726 Q HN 0.377 nan 8.270 nan 0.000 0.544 727 R N 0.000 120.504 120.500 0.007 0.000 2.786 727 R HA 0.000 4.337 4.340 -0.005 0.000 0.208 727 R CA 0.000 56.108 56.100 0.014 0.000 0.921 727 R CB 0.000 30.314 30.300 0.024 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535