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 1qhp_1_A DATA FIRST_RESID 1 DATA SEQUENCE SSSASVKGDV IYQIIIDRFY DGDTTNNNPA KSYGLYDPTK SKWKMYWGGD DATA SEQUENCE LEGVRQKLPY LKQLGVTTIW LSPVLDNLDT LAGTDNTGYH GYWTRDFKQI DATA SEQUENCE EEHFGNWTTF DTLVNDAHQN GIKVIVDFVP NHSTPFKAND STFAEGGALY DATA SEQUENCE NNGTYMGNYF DDATKGYFHH NGDISNWDDR YEAQWKNFTD PAGFSLADLS DATA SEQUENCE QENGTIAQYL TDAAVQLVAH GADGLRIDAV KHFNSGFSKS LADKLYQKKD DATA SEQUENCE IFLVGEWYGD DPGTANHLEK VRYANNSGVN VLDFDLNTVI RNVFGTFTQT DATA SEQUENCE MYDLNNMVNQ TGNEYKYKEN LITFIDNHDM SRFLSVNSNK ANLHQALAFI DATA SEQUENCE LTSRGTPSIY YGTEQYMAGG NDPYNRGMMP AFDTTTTAFK EVSTLAGLRR DATA SEQUENCE NNAAIQYGTT TQRWINNDVY IYERKFFNDV VLVAINRNTQ SSYSISGLQT DATA SEQUENCE ALPNGSYADY LSGLLGGNGI SVSNGSVASF TLAPGAVSVW QYSTSASAPQ DATA SEQUENCE IGSVAPNMGI PGNVVTIDGK GFGTTQGTVT FGGVTATVKS WTSNRIEVYV DATA SEQUENCE PNMAAGLTDV KVTAGGVSSN LYSYNILSGT QTSVVFTVKS APPTNLGDKI DATA SEQUENCE YLTGNIPELG NWSTDTSGAV NNAQGPLLAP NYPDWFYVFS VPAGKTIQFK DATA SEQUENCE FFIKRADGTI QWENGSNHVA TTPTGATGNI TVTWQN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.569 174.600 -0.051 0.000 1.055 1 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 1 S CB 0.000 63.172 63.200 -0.047 0.000 0.593 2 S N 0.344 116.010 115.700 -0.056 0.000 2.561 2 S HA 0.073 4.543 4.470 0.000 0.000 0.225 2 S C 1.411 175.988 174.600 -0.038 0.000 0.977 2 S CA 1.002 59.170 58.200 -0.053 0.000 0.926 2 S CB -0.742 62.420 63.200 -0.063 0.000 0.769 2 S HN 0.691 nan 8.310 nan 0.000 0.533 3 S N 1.928 117.617 115.700 -0.018 0.000 2.453 3 S HA 0.216 4.686 4.470 0.000 0.000 0.231 3 S C 2.202 176.848 174.600 0.076 0.000 1.005 3 S CA 0.717 58.937 58.200 0.034 0.000 0.949 3 S CB -0.505 62.732 63.200 0.062 0.000 0.774 3 S HN 0.775 nan 8.310 nan 0.000 0.510 4 A N 0.878 123.726 122.820 0.047 0.000 1.933 4 A HA 0.080 4.400 4.320 0.000 0.000 0.218 4 A C 1.380 179.023 177.584 0.098 0.000 1.175 4 A CA 1.085 53.166 52.037 0.073 0.000 0.628 4 A CB -0.206 18.792 19.000 -0.004 0.000 0.814 4 A HN 0.399 nan 8.150 nan 0.000 0.444 5 S N -1.325 114.376 115.700 0.001 0.000 2.500 5 S HA 0.451 4.921 4.470 0.000 0.000 0.301 5 S C 0.037 174.529 174.600 -0.181 0.000 1.092 5 S CA -0.033 58.133 58.200 -0.058 0.000 1.030 5 S CB 1.886 65.071 63.200 -0.024 0.000 1.031 5 S HN 0.934 nan 8.310 nan 0.000 0.483 6 V N 2.999 122.696 119.914 -0.363 0.000 3.176 6 V HA 0.450 4.570 4.120 0.000 0.000 0.332 6 V C 1.209 177.151 176.094 -0.252 0.000 1.414 6 V CA -0.131 61.952 62.300 -0.360 0.000 1.133 6 V CB -0.539 30.936 31.823 -0.581 0.000 1.088 6 V HN 0.799 nan 8.190 nan 0.000 0.473 7 K N 1.915 122.205 120.400 -0.183 0.000 2.211 7 K HA 0.015 4.335 4.320 0.000 0.000 0.204 7 K C 1.839 178.305 176.600 -0.222 0.000 1.047 7 K CA 1.582 57.769 56.287 -0.168 0.000 0.935 7 K CB -0.179 32.251 32.500 -0.118 0.000 0.728 7 K HN 0.645 nan 8.250 nan 0.000 0.452 8 G N 0.590 109.265 108.800 -0.209 0.000 3.284 8 G HA2 -0.014 3.946 3.960 0.000 0.000 0.236 8 G HA3 -0.014 3.946 3.960 0.000 0.000 0.236 8 G C -0.472 174.337 174.900 -0.151 0.000 1.158 8 G CA -0.224 44.753 45.100 -0.205 0.000 0.774 8 G HN 0.094 nan 8.290 nan 0.000 0.545 9 D N -0.547 119.769 120.400 -0.139 0.000 2.384 9 D HA 0.550 5.190 4.640 0.000 0.000 0.250 9 D C -0.468 175.784 176.300 -0.080 0.000 1.029 9 D CA -0.416 53.522 54.000 -0.104 0.000 0.990 9 D CB 2.340 43.078 40.800 -0.103 0.000 1.175 9 D HN -0.172 nan 8.370 nan 0.000 0.532 10 V N 1.633 121.517 119.914 -0.050 0.000 2.384 10 V HA 0.368 4.488 4.120 0.000 0.000 0.287 10 V C 0.121 176.242 176.094 0.045 0.000 1.020 10 V CA -0.671 61.623 62.300 -0.011 0.000 0.850 10 V CB 1.181 32.989 31.823 -0.025 0.000 0.987 10 V HN 0.365 nan 8.190 nan 0.000 0.436 11 I N 4.834 125.462 120.570 0.096 0.000 2.396 11 I HA 0.348 4.518 4.170 0.000 0.000 0.292 11 I C -0.898 175.368 176.117 0.248 0.000 0.999 11 I CA -0.435 60.973 61.300 0.180 0.000 1.310 11 I CB 0.977 39.114 38.000 0.228 0.000 1.404 11 I HN 0.590 nan 8.210 nan 0.000 0.496 12 Y N 5.844 126.203 120.300 0.098 0.000 2.326 12 Y HA 0.269 4.819 4.550 0.000 0.000 0.329 12 Y C -0.331 175.578 175.900 0.016 0.000 0.973 12 Y CA -0.608 57.523 58.100 0.052 0.000 1.162 12 Y CB 1.262 39.729 38.460 0.011 0.000 1.147 12 Y HN 0.485 nan 8.280 nan 0.000 0.456 13 Q N 7.274 126.901 119.800 -0.288 0.000 2.322 13 Q HA 0.485 4.825 4.340 0.000 0.000 0.256 13 Q C -1.412 174.324 176.000 -0.441 0.000 0.960 13 Q CA -0.356 55.144 55.803 -0.505 0.000 0.934 13 Q CB 0.629 28.858 28.738 -0.849 0.000 1.200 13 Q HN 0.774 nan 8.270 nan 0.000 0.435 14 I N 4.798 125.110 120.570 -0.429 0.000 2.378 14 I HA 0.282 4.452 4.170 0.000 0.000 0.291 14 I C -0.214 175.637 176.117 -0.443 0.000 0.992 14 I CA -0.969 60.046 61.300 -0.475 0.000 1.154 14 I CB 1.616 39.298 38.000 -0.531 0.000 1.315 14 I HN 0.548 nan 8.210 nan 0.000 0.448 15 I N 7.168 127.414 120.570 -0.540 0.000 2.294 15 I HA 0.142 4.312 4.170 0.000 0.000 0.295 15 I C 1.334 177.218 176.117 -0.389 0.000 1.098 15 I CA 0.161 61.255 61.300 -0.343 0.000 1.277 15 I CB 0.723 38.650 38.000 -0.121 0.000 1.434 15 I HN 0.681 nan 8.210 nan 0.000 0.498 16 I N 3.880 124.221 120.570 -0.382 0.000 2.145 16 I HA -0.337 3.833 4.170 0.000 0.000 0.244 16 I C 1.961 177.868 176.117 -0.351 0.000 1.075 16 I CA 1.754 62.774 61.300 -0.467 0.000 1.332 16 I CB -0.185 37.277 38.000 -0.896 0.000 1.033 16 I HN 0.548 nan 8.210 nan 0.000 0.410 17 D N 0.425 120.673 120.400 -0.254 0.000 2.309 17 D HA -0.149 4.491 4.640 0.000 0.000 0.212 17 D C 1.748 178.096 176.300 0.080 0.000 0.968 17 D CA 0.917 54.953 54.000 0.059 0.000 0.882 17 D CB 0.210 41.173 40.800 0.272 0.000 0.918 17 D HN 0.077 nan 8.370 nan 0.000 0.503 18 R N -0.752 119.744 120.500 -0.006 0.000 2.509 18 R HA 0.138 4.478 4.340 0.000 0.000 0.300 18 R C 0.506 176.833 176.300 0.046 0.000 0.985 18 R CA -0.193 55.934 56.100 0.045 0.000 1.092 18 R CB -0.321 29.994 30.300 0.026 0.000 1.237 18 R HN 0.263 nan 8.270 nan 0.000 0.546 19 F N -0.190 119.683 119.950 -0.130 0.000 2.394 19 F HA 0.229 4.756 4.527 0.000 0.000 0.269 19 F C -0.255 175.713 175.800 0.280 0.000 1.012 19 F CA 0.235 58.228 58.000 -0.010 0.000 1.138 19 F CB 0.408 39.335 39.000 -0.122 0.000 1.140 19 F HN -0.107 nan 8.300 nan 0.000 0.623 20 Y N 0.719 121.042 120.300 0.039 0.000 2.442 20 Y HA 0.267 4.817 4.550 0.000 0.000 0.330 20 Y C -1.370 174.549 175.900 0.033 0.000 1.100 20 Y CA -1.880 56.204 58.100 -0.026 0.000 1.034 20 Y CB 0.787 39.155 38.460 -0.154 0.000 1.285 20 Y HN 0.038 nan 8.280 nan 0.000 0.440 21 D N 3.511 123.602 120.400 -0.514 0.000 2.453 21 D HA 0.250 4.890 4.640 0.000 0.000 0.223 21 D C 0.910 176.939 176.300 -0.453 0.000 1.183 21 D CA 0.539 54.340 54.000 -0.332 0.000 0.933 21 D CB 0.810 41.472 40.800 -0.231 0.000 1.038 21 D HN 0.859 nan 8.370 nan 0.000 0.513 22 G N 2.613 111.312 108.800 -0.167 0.000 2.880 22 G HA2 -0.047 3.913 3.960 0.000 0.000 0.209 22 G HA3 -0.047 3.913 3.960 0.000 0.000 0.209 22 G C 0.302 175.181 174.900 -0.036 0.000 1.157 22 G CA -0.129 44.950 45.100 -0.036 0.000 0.779 22 G HN 0.459 nan 8.290 nan 0.000 0.539 23 D N -0.204 120.163 120.400 -0.055 0.000 2.323 23 D HA 0.148 4.788 4.640 0.000 0.000 0.242 23 D C 1.468 177.725 176.300 -0.072 0.000 1.347 23 D CA -0.167 53.805 54.000 -0.045 0.000 0.988 23 D CB 0.772 41.560 40.800 -0.021 0.000 1.314 23 D HN 0.014 nan 8.370 nan 0.000 0.564 24 T N -0.666 113.838 114.554 -0.084 0.000 3.113 24 T HA -0.127 4.223 4.350 0.000 0.000 0.263 24 T C 1.632 176.256 174.700 -0.128 0.000 1.143 24 T CA 1.457 63.493 62.100 -0.107 0.000 1.090 24 T CB -0.342 68.476 68.868 -0.083 0.000 0.922 24 T HN 0.354 nan 8.240 nan 0.000 0.521 25 T N 0.676 115.170 114.554 -0.099 0.000 3.085 25 T HA -0.042 4.308 4.350 0.000 0.000 0.263 25 T C 1.404 176.023 174.700 -0.135 0.000 1.127 25 T CA 0.768 62.808 62.100 -0.101 0.000 1.103 25 T CB -0.583 68.244 68.868 -0.069 0.000 0.921 25 T HN 0.603 nan 8.240 nan 0.000 0.510 26 N N 0.508 119.121 118.700 -0.145 0.000 2.238 26 N HA 0.168 4.908 4.740 0.000 0.000 0.222 26 N C 0.772 176.118 175.510 -0.273 0.000 1.133 26 N CA -0.356 52.579 53.050 -0.192 0.000 0.854 26 N CB -0.517 37.892 38.487 -0.131 0.000 1.041 26 N HN 0.158 nan 8.380 nan 0.000 0.510 27 N N 0.969 119.473 118.700 -0.326 0.000 2.244 27 N HA -0.093 4.647 4.740 0.000 0.000 0.183 27 N C -0.309 174.882 175.510 -0.532 0.000 1.016 27 N CA 0.958 53.694 53.050 -0.524 0.000 0.866 27 N CB -0.101 37.755 38.487 -1.052 0.000 0.980 27 N HN 0.361 nan 8.380 nan 0.000 0.430 28 N N -0.302 118.143 118.700 -0.425 0.000 2.697 28 N HA 0.235 4.975 4.740 0.000 0.000 0.253 28 N C -2.963 172.445 175.510 -0.170 0.000 1.604 28 N CA -1.389 51.501 53.050 -0.266 0.000 0.772 28 N CB 0.736 39.103 38.487 -0.200 0.000 1.267 28 N HN -0.117 nan 8.380 nan 0.000 0.510 29 P HA 0.171 nan 4.420 nan 0.000 0.269 29 P C 0.583 177.866 177.300 -0.028 0.000 1.209 29 P CA -0.203 62.774 63.100 -0.205 0.000 0.776 29 P CB 0.859 32.348 31.700 -0.351 0.000 0.876 30 A N 3.156 125.972 122.820 -0.007 0.000 1.978 30 A HA -0.233 4.087 4.320 0.000 0.000 0.220 30 A C 2.072 179.650 177.584 -0.011 0.000 1.170 30 A CA 1.832 53.870 52.037 0.003 0.000 0.636 30 A CB -1.052 17.906 19.000 -0.070 0.000 0.810 30 A HN 0.628 nan 8.150 nan 0.000 0.448 31 K N 0.284 120.646 120.400 -0.064 0.000 2.152 31 K HA -0.131 4.189 4.320 0.000 0.000 0.206 31 K C 0.520 177.092 176.600 -0.046 0.000 1.048 31 K CA 1.664 57.907 56.287 -0.074 0.000 0.933 31 K CB -0.117 32.313 32.500 -0.116 0.000 0.721 31 K HN 0.567 nan 8.250 nan 0.000 0.447 32 S N -0.768 114.910 115.700 -0.038 0.000 2.665 32 S HA 0.128 4.598 4.470 0.000 0.000 0.235 32 S C -0.743 173.905 174.600 0.081 0.000 1.084 32 S CA -1.003 57.212 58.200 0.025 0.000 1.151 32 S CB -0.361 62.859 63.200 0.033 0.000 1.151 32 S HN 0.257 nan 8.310 nan 0.000 0.461 33 Y N 2.366 122.651 120.300 -0.025 0.000 2.597 33 Y HA 0.386 4.936 4.550 0.000 0.000 0.336 33 Y C 1.458 177.391 175.900 0.055 0.000 1.216 33 Y CA 1.969 60.072 58.100 0.004 0.000 1.463 33 Y CB 0.267 38.720 38.460 -0.012 0.000 1.303 33 Y HN 0.814 nan 8.280 nan 0.000 0.576 34 G N 4.161 112.669 108.800 -0.486 0.000 2.157 34 G HA2 -0.246 3.714 3.960 0.000 0.000 0.248 34 G HA3 -0.246 3.714 3.960 0.000 0.000 0.248 34 G C 0.273 175.158 174.900 -0.026 0.000 0.979 34 G CA 0.291 45.253 45.100 -0.230 0.000 0.650 34 G HN 0.664 nan 8.290 nan 0.000 0.529 35 L N -0.451 120.806 121.223 0.057 0.000 2.728 35 L HA 0.411 4.751 4.340 0.000 0.000 0.238 35 L C 0.696 177.725 176.870 0.265 0.000 1.143 35 L CA -0.518 54.426 54.840 0.174 0.000 0.937 35 L CB 0.160 42.360 42.059 0.236 0.000 1.225 35 L HN 0.285 nan 8.230 nan 0.000 0.507 36 Y N 1.127 121.460 120.300 0.055 0.000 2.360 36 Y HA 0.468 5.019 4.550 0.000 0.000 0.337 36 Y C -0.838 175.095 175.900 0.057 0.000 1.039 36 Y CA -1.475 56.679 58.100 0.091 0.000 1.109 36 Y CB 1.367 39.852 38.460 0.041 0.000 1.201 36 Y HN -0.051 nan 8.280 nan 0.000 0.458 37 D N 8.097 128.239 120.400 -0.430 0.000 2.462 37 D HA 0.363 5.003 4.640 0.000 0.000 0.245 37 D C -2.181 173.585 176.300 -0.889 0.000 1.122 37 D CA -2.584 51.104 54.000 -0.520 0.000 0.864 37 D CB 1.863 42.569 40.800 -0.156 0.000 1.098 37 D HN 0.352 nan 8.370 nan 0.000 0.541 38 P HA -0.083 nan 4.420 nan 0.000 0.226 38 P C 1.037 178.080 177.300 -0.429 0.000 1.153 38 P CA 0.856 63.566 63.100 -0.650 0.000 0.777 38 P CB 0.055 31.550 31.700 -0.340 0.000 0.794 39 T N -3.780 110.514 114.554 -0.433 0.000 3.081 39 T HA 0.092 4.442 4.350 0.000 0.000 0.255 39 T C 0.895 175.247 174.700 -0.580 0.000 1.113 39 T CA -0.140 61.730 62.100 -0.382 0.000 1.082 39 T CB -0.839 67.872 68.868 -0.262 0.000 0.939 39 T HN 0.056 nan 8.240 nan 0.000 0.506 40 K N 1.134 120.958 120.400 -0.960 0.000 3.148 40 K HA -0.163 4.157 4.320 0.000 0.000 0.267 40 K C 0.798 176.669 176.600 -1.214 0.000 0.996 40 K CA 0.666 55.832 56.287 -1.868 0.000 0.737 40 K CB -2.122 29.310 32.500 -1.780 0.000 1.308 40 K HN 0.716 nan 8.250 nan 0.000 0.470 41 S N -1.511 113.839 115.700 -0.584 0.000 2.604 41 S HA 0.101 4.571 4.470 0.000 0.000 0.235 41 S C 0.174 174.830 174.600 0.093 0.000 1.043 41 S CA -0.572 57.523 58.200 -0.175 0.000 0.997 41 S CB 0.524 63.678 63.200 -0.076 0.000 0.956 41 S HN 0.259 nan 8.310 nan 0.000 0.535 42 K N 1.225 121.692 120.400 0.112 0.000 2.347 42 K HA 0.261 4.581 4.320 0.000 0.000 0.262 42 K C -0.877 175.908 176.600 0.309 0.000 1.052 42 K CA -0.547 55.884 56.287 0.240 0.000 0.946 42 K CB 0.496 33.082 32.500 0.143 0.000 1.220 42 K HN 0.279 nan 8.250 nan 0.000 0.450 43 W N 2.057 123.457 121.300 0.167 0.000 2.611 43 W HA -0.045 4.615 4.660 0.000 0.000 0.251 43 W C 0.995 177.208 176.519 -0.509 0.000 1.265 43 W CA 0.633 57.918 57.345 -0.100 0.000 1.295 43 W CB 0.251 29.613 29.460 -0.165 0.000 1.129 43 W HN 0.341 nan 8.180 nan 0.000 0.630 44 K N -0.887 119.422 120.400 -0.151 0.000 2.455 44 K HA 0.219 4.539 4.320 0.000 0.000 0.206 44 K C 0.462 176.900 176.600 -0.271 0.000 1.027 44 K CA -0.040 56.101 56.287 -0.245 0.000 1.113 44 K CB 0.192 32.771 32.500 0.132 0.000 0.850 44 K HN 0.062 nan 8.250 nan 0.000 0.503 45 M N 0.097 119.517 119.600 -0.299 0.000 2.494 45 M HA 0.272 4.752 4.480 0.000 0.000 0.300 45 M C -0.351 175.807 176.300 -0.238 0.000 1.189 45 M CA -0.916 54.317 55.300 -0.113 0.000 0.982 45 M CB 0.638 33.290 32.600 0.086 0.000 1.534 45 M HN -0.098 nan 8.290 nan 0.000 0.488 46 Y N 0.035 120.317 120.300 -0.030 0.000 2.442 46 Y HA -0.059 4.491 4.550 0.000 0.000 0.330 46 Y C 0.221 176.316 175.900 0.325 0.000 1.129 46 Y CA 0.431 58.558 58.100 0.045 0.000 1.365 46 Y CB 0.363 38.779 38.460 -0.074 0.000 1.233 46 Y HN 0.604 nan 8.280 nan 0.000 0.529 47 W N 0.946 122.345 121.300 0.166 0.000 3.107 47 W HA 0.272 4.932 4.660 0.000 0.000 0.293 47 W C 1.300 177.979 176.519 0.266 0.000 1.239 47 W CA 0.206 57.612 57.345 0.101 0.000 1.653 47 W CB -0.132 29.280 29.460 -0.081 0.000 1.068 47 W HN 0.821 nan 8.180 nan 0.000 0.615 48 G N -0.634 108.468 108.800 0.504 0.000 2.192 48 G HA2 -0.145 3.815 3.960 0.000 0.000 0.193 48 G HA3 -0.145 3.815 3.960 0.000 0.000 0.193 48 G C 0.732 175.755 174.900 0.206 0.000 0.999 48 G CA -0.403 44.891 45.100 0.323 0.000 0.659 48 G HN 0.440 nan 8.290 nan 0.000 0.503 49 G N 0.465 109.384 108.800 0.197 0.000 2.491 49 G HA2 0.560 4.520 3.960 0.000 0.000 0.242 49 G HA3 0.560 4.520 3.960 0.000 0.000 0.242 49 G C -0.035 174.899 174.900 0.058 0.000 1.266 49 G CA 1.006 46.162 45.100 0.094 0.000 0.844 49 G HN 0.995 nan 8.290 nan 0.000 0.571 50 D N -0.362 120.048 120.400 0.017 0.000 2.759 50 D HA 0.187 4.827 4.640 0.000 0.000 0.321 50 D C 1.154 177.440 176.300 -0.023 0.000 1.267 50 D CA -0.900 53.097 54.000 -0.005 0.000 0.933 50 D CB 0.363 41.235 40.800 0.119 0.000 1.431 50 D HN 0.179 nan 8.370 nan 0.000 0.504 51 L N -0.843 120.384 121.223 0.006 0.000 2.093 51 L HA -0.039 4.301 4.340 0.000 0.000 0.208 51 L C 2.167 179.058 176.870 0.035 0.000 1.085 51 L CA 1.413 56.259 54.840 0.010 0.000 0.755 51 L CB -0.385 41.706 42.059 0.053 0.000 0.904 51 L HN 0.521 nan 8.230 nan 0.000 0.435 52 E N 0.791 121.022 120.200 0.052 0.000 2.150 52 E HA -0.143 4.207 4.350 0.000 0.000 0.193 52 E C 2.100 178.761 176.600 0.100 0.000 0.985 52 E CA 1.342 57.776 56.400 0.057 0.000 0.814 52 E CB -0.323 29.404 29.700 0.045 0.000 0.752 52 E HN 0.323 nan 8.360 nan 0.000 0.466 53 G N -0.054 108.832 108.800 0.144 0.000 2.402 53 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 53 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 53 G C 1.704 176.788 174.900 0.307 0.000 1.162 53 G CA 0.942 46.229 45.100 0.311 0.000 0.777 53 G HN 0.256 nan 8.290 nan 0.000 0.539 54 V N 0.576 120.631 119.914 0.235 0.000 2.343 54 V HA -0.146 3.974 4.120 0.000 0.000 0.247 54 V C 2.771 178.927 176.094 0.104 0.000 1.051 54 V CA 2.045 64.465 62.300 0.200 0.000 1.036 54 V CB -0.458 31.381 31.823 0.027 0.000 0.654 54 V HN 0.371 nan 8.190 nan 0.000 0.451 55 R N -0.191 120.342 120.500 0.054 0.000 2.096 55 R HA -0.184 4.156 4.340 0.000 0.000 0.235 55 R C 2.330 178.638 176.300 0.014 0.000 1.127 55 R CA 1.652 57.761 56.100 0.014 0.000 0.968 55 R CB -0.161 30.138 30.300 -0.001 0.000 0.861 55 R HN 0.591 nan 8.270 nan 0.000 0.440 56 Q N -0.325 119.489 119.800 0.024 0.000 2.291 56 Q HA -0.069 4.271 4.340 0.000 0.000 0.205 56 Q C 0.852 176.775 176.000 -0.128 0.000 0.970 56 Q CA 0.859 56.641 55.803 -0.035 0.000 0.876 56 Q CB 0.333 29.073 28.738 0.003 0.000 0.935 56 Q HN 0.027 nan 8.270 nan 0.000 0.455 57 K N 0.362 120.705 120.400 -0.095 0.000 2.437 57 K HA 0.146 4.466 4.320 0.000 0.000 0.205 57 K C 1.345 177.992 176.600 0.078 0.000 1.026 57 K CA 0.011 56.240 56.287 -0.098 0.000 1.153 57 K CB 0.335 32.789 32.500 -0.077 0.000 0.863 57 K HN 0.222 nan 8.250 nan 0.000 0.502 58 L N 1.036 122.281 121.223 0.037 0.000 2.042 58 L HA -0.160 4.180 4.340 0.000 0.000 0.210 58 L C -0.738 176.154 176.870 0.037 0.000 1.076 58 L CA 1.588 56.447 54.840 0.032 0.000 0.749 58 L CB -1.303 40.758 42.059 0.003 0.000 0.893 58 L HN 0.072 nan 8.230 nan 0.000 0.432 59 P HA -0.231 nan 4.420 nan 0.000 0.216 59 P C 1.359 178.711 177.300 0.086 0.000 1.150 59 P CA 1.364 64.486 63.100 0.037 0.000 0.837 59 P CB -0.072 31.640 31.700 0.019 0.000 0.786 60 Y N 0.524 120.833 120.300 0.014 0.000 2.163 60 Y HA -0.162 4.388 4.550 0.000 0.000 0.288 60 Y C 2.035 178.002 175.900 0.111 0.000 1.136 60 Y CA 1.503 59.670 58.100 0.111 0.000 1.147 60 Y CB -1.042 37.497 38.460 0.132 0.000 0.987 60 Y HN -0.234 nan 8.280 nan 0.000 0.509 61 L N 0.447 121.718 121.223 0.081 0.000 2.083 61 L HA -0.207 4.133 4.340 0.000 0.000 0.209 61 L C 2.613 179.363 176.870 -0.200 0.000 1.083 61 L CA 1.844 56.590 54.840 -0.157 0.000 0.752 61 L CB -0.613 41.392 42.059 -0.090 0.000 0.899 61 L HN 0.165 nan 8.230 nan 0.000 0.433 62 K N 0.188 120.529 120.400 -0.097 0.000 2.026 62 K HA -0.263 4.057 4.320 0.000 0.000 0.208 62 K C 2.243 178.774 176.600 -0.114 0.000 1.048 62 K CA 1.597 57.831 56.287 -0.089 0.000 0.929 62 K CB -0.070 32.407 32.500 -0.039 0.000 0.713 62 K HN 0.247 nan 8.250 nan 0.000 0.439 63 Q N 0.363 120.115 119.800 -0.079 0.000 2.124 63 Q HA -0.166 4.175 4.340 0.000 0.000 0.202 63 Q C 2.070 177.944 176.000 -0.209 0.000 0.977 63 Q CA 1.130 56.922 55.803 -0.018 0.000 0.850 63 Q CB -0.033 28.798 28.738 0.154 0.000 0.901 63 Q HN 0.308 nan 8.270 nan 0.000 0.429 64 L N -0.456 120.440 121.223 -0.546 0.000 2.191 64 L HA -0.003 4.337 4.340 0.000 0.000 0.212 64 L C 1.191 177.703 176.870 -0.596 0.000 1.103 64 L CA 2.311 56.497 54.840 -1.091 0.000 0.769 64 L CB -0.235 41.199 42.059 -1.042 0.000 0.908 64 L HN 0.440 nan 8.230 nan 0.000 0.438 65 G N -1.943 106.646 108.800 -0.351 0.000 2.154 65 G HA2 -0.190 3.770 3.960 0.000 0.000 0.186 65 G HA3 -0.190 3.770 3.960 0.000 0.000 0.186 65 G C 0.161 174.956 174.900 -0.175 0.000 1.000 65 G CA -0.005 44.960 45.100 -0.224 0.000 0.664 65 G HN 0.236 nan 8.290 nan 0.000 0.513 66 V N 1.830 121.624 119.914 -0.201 0.000 2.585 66 V HA 0.446 4.566 4.120 0.000 0.000 0.296 66 V C 1.559 177.608 176.094 -0.074 0.000 1.035 66 V CA 1.403 63.629 62.300 -0.124 0.000 1.084 66 V CB 1.186 32.903 31.823 -0.178 0.000 0.953 66 V HN 0.659 nan 8.190 nan 0.000 0.483 67 T N -0.385 114.148 114.554 -0.036 0.000 3.004 67 T HA 0.191 4.541 4.350 0.000 0.000 0.266 67 T C 0.466 175.170 174.700 0.006 0.000 0.986 67 T CA -0.064 62.021 62.100 -0.026 0.000 0.902 67 T CB 0.416 69.257 68.868 -0.045 0.000 1.118 67 T HN 0.568 nan 8.240 nan 0.000 0.522 68 T N 2.132 116.707 114.554 0.035 0.000 3.011 68 T HA 0.571 4.921 4.350 0.000 0.000 0.303 68 T C -0.877 173.901 174.700 0.131 0.000 0.997 68 T CA -0.513 61.633 62.100 0.076 0.000 1.007 68 T CB 1.597 70.502 68.868 0.063 0.000 1.017 68 T HN 0.206 nan 8.240 nan 0.000 0.443 69 I N 3.088 123.737 120.570 0.132 0.000 2.331 69 I HA 0.356 4.526 4.170 0.000 0.000 0.292 69 I C -0.554 175.713 176.117 0.251 0.000 0.998 69 I CA -0.642 60.756 61.300 0.164 0.000 1.267 69 I CB 0.947 38.991 38.000 0.074 0.000 1.386 69 I HN 0.616 nan 8.210 nan 0.000 0.476 70 W N 9.202 130.545 121.300 0.070 0.000 2.311 70 W HA 0.478 5.138 4.660 0.000 0.000 0.317 70 W C -1.551 174.979 176.519 0.018 0.000 1.065 70 W CA -1.361 56.024 57.345 0.067 0.000 1.364 70 W CB 0.196 29.704 29.460 0.081 0.000 1.233 70 W HN 0.280 nan 8.180 nan 0.000 0.409 71 L N 6.986 128.423 121.223 0.356 0.000 2.305 71 L HA 0.209 4.549 4.340 0.000 0.000 0.281 71 L C 1.365 178.353 176.870 0.196 0.000 1.085 71 L CA -0.514 54.409 54.840 0.137 0.000 0.813 71 L CB 0.884 43.018 42.059 0.125 0.000 1.157 71 L HN 0.601 nan 8.230 nan 0.000 0.436 72 S N 3.423 119.103 115.700 -0.033 0.000 2.587 72 S HA 0.236 4.706 4.470 0.000 0.000 0.260 72 S C -2.442 172.136 174.600 -0.036 0.000 1.353 72 S CA -1.188 56.983 58.200 -0.048 0.000 0.995 72 S CB 0.004 63.098 63.200 -0.176 0.000 0.912 72 S HN 0.359 nan 8.310 nan 0.000 0.568 73 P HA 0.073 nan 4.420 nan 0.000 0.262 73 P C 0.758 178.063 177.300 0.008 0.000 1.182 73 P CA -0.169 62.855 63.100 -0.126 0.000 0.761 73 P CB 0.353 31.835 31.700 -0.363 0.000 0.795 74 V N 1.535 121.470 119.914 0.035 0.000 3.660 74 V HA 0.205 4.325 4.120 0.000 0.000 0.276 74 V C 0.538 176.578 176.094 -0.090 0.000 1.317 74 V CA 0.394 62.744 62.300 0.083 0.000 1.097 74 V CB -0.822 31.026 31.823 0.042 0.000 0.863 74 V HN 0.184 nan 8.190 nan 0.000 0.438 75 L N 1.170 122.293 121.223 -0.167 0.000 2.421 75 L HA 0.470 4.810 4.340 0.000 0.000 0.263 75 L C 0.304 177.019 176.870 -0.257 0.000 1.122 75 L CA -0.488 54.203 54.840 -0.248 0.000 0.804 75 L CB 0.445 42.350 42.059 -0.257 0.000 1.150 75 L HN 0.059 nan 8.230 nan 0.000 0.457 76 D N 1.979 122.240 120.400 -0.232 0.000 2.502 76 D HA -0.050 4.590 4.640 0.000 0.000 0.249 76 D C -0.351 175.855 176.300 -0.157 0.000 1.188 76 D CA 0.659 54.545 54.000 -0.190 0.000 0.890 76 D CB 0.173 40.893 40.800 -0.133 0.000 1.140 76 D HN 0.403 nan 8.370 nan 0.000 0.505 77 N N 2.735 121.356 118.700 -0.131 0.000 2.482 77 N HA 0.220 4.960 4.740 0.000 0.000 0.279 77 N C -0.313 175.219 175.510 0.037 0.000 1.182 77 N CA -0.985 52.039 53.050 -0.043 0.000 0.969 77 N CB 1.025 39.467 38.487 -0.075 0.000 1.201 77 N HN 0.353 nan 8.380 nan 0.000 0.523 78 L N 1.841 123.135 121.223 0.118 0.000 2.972 78 L HA -0.197 4.143 4.340 0.000 0.000 0.312 78 L C 0.431 177.357 176.870 0.093 0.000 1.169 78 L CA 0.950 55.862 54.840 0.120 0.000 0.873 78 L CB 0.153 42.325 42.059 0.187 0.000 1.237 78 L HN 0.555 nan 8.230 nan 0.000 0.510 79 D N 1.807 122.237 120.400 0.050 0.000 2.339 79 D HA 0.075 4.715 4.640 0.000 0.000 0.217 79 D C 0.733 177.061 176.300 0.047 0.000 1.050 79 D CA 0.988 55.011 54.000 0.038 0.000 0.856 79 D CB 0.023 40.816 40.800 -0.011 0.000 0.922 79 D HN 0.816 nan 8.370 nan 0.000 0.518 80 T N -2.892 111.680 114.554 0.031 0.000 2.883 80 T HA 0.597 4.947 4.350 0.000 0.000 0.284 80 T C 0.288 174.989 174.700 0.003 0.000 1.041 80 T CA -0.870 61.230 62.100 0.001 0.000 1.007 80 T CB 1.372 70.199 68.868 -0.068 0.000 1.220 80 T HN -0.174 nan 8.240 nan 0.000 0.552 81 L N 0.641 121.848 121.223 -0.026 0.000 2.453 81 L HA 0.579 4.919 4.340 0.000 0.000 0.261 81 L C 0.639 177.398 176.870 -0.186 0.000 1.179 81 L CA -0.823 54.006 54.840 -0.017 0.000 0.813 81 L CB 0.768 42.834 42.059 0.011 0.000 1.110 81 L HN 0.978 nan 8.230 nan 0.000 0.466 82 A N 1.844 124.581 122.820 -0.137 0.000 3.204 82 A HA 0.639 4.959 4.320 0.000 0.000 0.327 82 A C 0.271 177.911 177.584 0.094 0.000 0.998 82 A CA 0.121 51.922 52.037 -0.395 0.000 0.891 82 A CB -0.126 18.460 19.000 -0.689 0.000 1.061 82 A HN 0.955 nan 8.150 nan 0.000 0.478 83 G N -0.040 108.857 108.800 0.162 0.000 2.757 83 G HA2 0.001 3.961 3.960 0.000 0.000 0.638 83 G HA3 0.001 3.961 3.960 0.000 0.000 0.638 83 G C -0.078 174.953 174.900 0.219 0.000 1.344 83 G CA -0.504 44.791 45.100 0.324 0.000 0.855 83 G HN 1.017 nan 8.290 nan 0.000 0.537 84 T N 1.779 116.454 114.554 0.202 0.000 2.704 84 T HA 0.323 4.673 4.350 0.000 0.000 0.271 84 T C 0.623 175.422 174.700 0.165 0.000 1.000 84 T CA 1.494 63.690 62.100 0.159 0.000 1.216 84 T CB -0.047 68.906 68.868 0.141 0.000 0.961 84 T HN 0.950 nan 8.240 nan 0.000 0.515 85 D N 1.544 122.027 120.400 0.138 0.000 2.701 85 D HA -0.169 4.471 4.640 0.000 0.000 0.235 85 D C -0.048 176.351 176.300 0.165 0.000 1.155 85 D CA 0.821 54.901 54.000 0.133 0.000 0.649 85 D CB -0.893 39.982 40.800 0.125 0.000 1.050 85 D HN 0.515 nan 8.370 nan 0.000 0.425 86 N N 0.332 119.156 118.700 0.208 0.000 2.442 86 N HA 0.406 5.146 4.740 0.000 0.000 0.274 86 N C -0.751 174.958 175.510 0.332 0.000 1.002 86 N CA -0.178 53.054 53.050 0.304 0.000 0.910 86 N CB 1.346 40.083 38.487 0.417 0.000 1.244 86 N HN 0.129 nan 8.380 nan 0.000 0.492 87 T N -1.262 113.460 114.554 0.280 0.000 2.887 87 T HA 0.556 4.906 4.350 0.000 0.000 0.292 87 T C 0.793 175.379 174.700 -0.191 0.000 1.087 87 T CA -0.840 61.365 62.100 0.174 0.000 1.009 87 T CB 1.237 70.137 68.868 0.053 0.000 1.203 87 T HN 0.253 nan 8.240 nan 0.000 0.518 88 G N 0.298 108.936 108.800 -0.270 0.000 3.374 88 G HA2 0.157 4.117 3.960 0.000 0.000 0.252 88 G HA3 0.157 4.117 3.960 0.000 0.000 0.252 88 G C 0.795 174.960 174.900 -1.225 0.000 1.326 88 G CA 0.111 44.684 45.100 -0.878 0.000 1.133 88 G HN 0.882 nan 8.290 nan 0.000 0.528 89 Y N 0.683 120.126 120.300 -1.427 0.000 2.241 89 Y HA -0.315 4.235 4.550 0.000 0.000 0.286 89 Y C 2.286 177.792 175.900 -0.657 0.000 1.166 89 Y CA 1.627 58.849 58.100 -1.464 0.000 1.203 89 Y CB -0.824 36.988 38.460 -1.080 0.000 0.977 89 Y HN 0.506 nan 8.280 nan 0.000 0.529 90 H N -1.357 116.798 119.070 -1.526 0.000 2.495 90 H HA 0.294 4.850 4.556 0.000 0.000 0.287 90 H C 2.020 177.057 175.328 -0.486 0.000 1.033 90 H CA 0.393 55.885 56.048 -0.927 0.000 1.307 90 H CB -0.679 28.581 29.762 -0.837 0.000 1.401 90 H HN 0.473 nan 8.280 nan 0.000 0.555 91 G N -0.529 107.972 108.800 -0.498 0.000 2.175 91 G HA2 -0.336 3.624 3.960 0.000 0.000 0.244 91 G HA3 -0.336 3.624 3.960 0.000 0.000 0.244 91 G C 0.407 175.100 174.900 -0.345 0.000 0.982 91 G CA 0.324 45.218 45.100 -0.342 0.000 0.641 91 G HN 0.524 nan 8.290 nan 0.000 0.527 92 Y N -0.939 119.424 120.300 0.105 0.000 2.466 92 Y HA 0.365 4.915 4.550 0.000 0.000 0.272 92 Y C 0.725 176.848 175.900 0.373 0.000 1.169 92 Y CA -0.217 57.971 58.100 0.146 0.000 1.285 92 Y CB 0.359 38.852 38.460 0.055 0.000 1.078 92 Y HN 0.354 nan 8.280 nan 0.000 0.523 93 W N 1.305 122.738 121.300 0.220 0.000 2.286 93 W HA 0.363 5.023 4.660 0.000 0.000 0.296 93 W C -0.465 176.061 176.519 0.012 0.000 0.911 93 W CA -1.783 55.661 57.345 0.166 0.000 1.761 93 W CB -0.153 29.387 29.460 0.135 0.000 1.820 93 W HN -0.282 nan 8.180 nan 0.000 0.403 94 T N 2.605 117.230 114.554 0.119 0.000 2.794 94 T HA 0.177 4.527 4.350 0.000 0.000 0.296 94 T C 1.514 176.211 174.700 -0.005 0.000 0.949 94 T CA -0.370 61.620 62.100 -0.184 0.000 1.101 94 T CB 1.352 69.690 68.868 -0.884 0.000 0.905 94 T HN 0.388 nan 8.240 nan 0.000 0.516 95 R N 1.717 122.239 120.500 0.037 0.000 2.237 95 R HA 0.207 4.547 4.340 0.000 0.000 0.195 95 R C -0.268 176.202 176.300 0.283 0.000 0.956 95 R CA 0.052 56.278 56.100 0.210 0.000 1.029 95 R CB 0.486 30.916 30.300 0.217 0.000 0.972 95 R HN 0.416 nan 8.270 nan 0.000 0.493 96 D N -0.106 120.370 120.400 0.126 0.000 2.478 96 D HA 0.138 4.778 4.640 0.000 0.000 0.240 96 D C -0.680 175.700 176.300 0.133 0.000 1.364 96 D CA -0.704 53.445 54.000 0.248 0.000 0.987 96 D CB 0.807 41.714 40.800 0.179 0.000 1.328 96 D HN -0.030 nan 8.370 nan 0.000 0.584 97 F N 1.708 121.766 119.950 0.179 0.000 2.802 97 F HA 0.098 4.625 4.527 0.000 0.000 0.300 97 F C 2.098 177.914 175.800 0.028 0.000 1.168 97 F CA 0.390 58.407 58.000 0.028 0.000 1.433 97 F CB 0.377 39.293 39.000 -0.141 0.000 1.115 97 F HN 0.116 nan 8.300 nan 0.000 0.582 98 K N -0.283 120.258 120.400 0.234 0.000 2.353 98 K HA 0.210 4.530 4.320 0.000 0.000 0.195 98 K C 0.305 177.126 176.600 0.368 0.000 1.031 98 K CA 0.320 56.755 56.287 0.246 0.000 1.079 98 K CB 0.404 33.023 32.500 0.199 0.000 0.857 98 K HN 0.279 nan 8.250 nan 0.000 0.535 99 Q N 0.721 120.631 119.800 0.184 0.000 2.377 99 Q HA 0.367 4.707 4.340 0.000 0.000 0.271 99 Q C -0.352 175.466 176.000 -0.302 0.000 1.077 99 Q CA -0.864 54.958 55.803 0.032 0.000 0.820 99 Q CB 2.360 31.104 28.738 0.010 0.000 1.347 99 Q HN -0.075 nan 8.270 nan 0.000 0.444 100 I N 1.772 121.953 120.570 -0.650 0.000 2.634 100 I HA -0.009 4.161 4.170 0.000 0.000 0.284 100 I C 0.738 176.649 176.117 -0.342 0.000 1.124 100 I CA -0.042 60.885 61.300 -0.622 0.000 1.417 100 I CB 0.426 37.973 38.000 -0.756 0.000 1.396 100 I HN 0.654 nan 8.210 nan 0.000 0.571 101 E N 5.680 125.704 120.200 -0.292 0.000 2.480 101 E HA -0.110 4.240 4.350 0.000 0.000 0.258 101 E C 1.220 177.643 176.600 -0.294 0.000 0.984 101 E CA 0.103 56.303 56.400 -0.333 0.000 0.930 101 E CB 0.552 29.909 29.700 -0.572 0.000 0.936 101 E HN 0.517 nan 8.360 nan 0.000 0.466 102 E N 4.330 124.370 120.200 -0.267 0.000 2.204 102 E HA -0.262 4.089 4.350 0.000 0.000 0.195 102 E C 0.781 177.204 176.600 -0.295 0.000 0.990 102 E CA 1.496 57.744 56.400 -0.253 0.000 0.821 102 E CB -0.458 29.085 29.700 -0.262 0.000 0.750 102 E HN 0.781 nan 8.360 nan 0.000 0.477 103 H N -0.754 118.075 119.070 -0.402 0.000 2.491 103 H HA 0.008 4.564 4.556 0.000 0.000 0.290 103 H C 0.952 176.298 175.328 0.030 0.000 1.050 103 H CA 1.618 57.464 56.048 -0.336 0.000 1.309 103 H CB -0.020 29.341 29.762 -0.667 0.000 1.392 103 H HN 0.162 nan 8.280 nan 0.000 0.554 104 F N -1.085 118.873 119.950 0.013 0.000 2.656 104 F HA 0.400 4.928 4.527 0.000 0.000 0.291 104 F C 1.536 177.320 175.800 -0.027 0.000 1.122 104 F CA 0.743 58.748 58.000 0.008 0.000 1.427 104 F CB 0.165 39.171 39.000 0.010 0.000 1.125 104 F HN 0.222 nan 8.300 nan 0.000 0.583 105 G N 0.169 109.027 108.800 0.096 0.000 2.332 105 G HA2 0.185 4.145 3.960 0.000 0.000 0.265 105 G HA3 0.185 4.145 3.960 0.000 0.000 0.265 105 G C -1.471 173.403 174.900 -0.043 0.000 1.329 105 G CA -0.399 44.719 45.100 0.030 0.000 0.949 105 G HN 0.292 nan 8.290 nan 0.000 0.476 106 N N -1.988 116.694 118.700 -0.030 0.000 3.167 106 N HA 0.507 5.247 4.740 0.000 0.000 0.323 106 N C 0.550 176.031 175.510 -0.050 0.000 1.478 106 N CA -0.797 52.208 53.050 -0.075 0.000 0.753 106 N CB 0.285 38.775 38.487 0.005 0.000 1.721 106 N HN 0.582 nan 8.380 nan 0.000 0.618 107 W N -0.377 120.941 121.300 0.029 0.000 2.374 107 W HA -0.064 4.596 4.660 0.000 0.000 0.288 107 W C 1.811 178.427 176.519 0.162 0.000 1.218 107 W CA 1.518 58.890 57.345 0.044 0.000 1.245 107 W CB -0.350 29.088 29.460 -0.035 0.000 1.126 107 W HN 0.475 nan 8.180 nan 0.000 0.545 108 T N -0.463 114.290 114.554 0.331 0.000 2.746 108 T HA -0.208 4.142 4.350 0.000 0.000 0.267 108 T C 1.557 176.377 174.700 0.200 0.000 1.039 108 T CA 2.103 64.349 62.100 0.243 0.000 1.142 108 T CB -0.754 68.208 68.868 0.158 0.000 0.866 108 T HN 0.114 nan 8.240 nan 0.000 0.444 109 T N 1.770 116.419 114.554 0.158 0.000 2.746 109 T HA -0.061 4.289 4.350 0.000 0.000 0.267 109 T C 1.573 176.357 174.700 0.140 0.000 1.039 109 T CA 1.018 63.188 62.100 0.116 0.000 1.142 109 T CB -0.566 68.352 68.868 0.083 0.000 0.866 109 T HN 0.391 nan 8.240 nan 0.000 0.444 110 F N 2.490 122.469 119.950 0.049 0.000 2.102 110 F HA -0.122 4.405 4.527 0.000 0.000 0.298 110 F C 1.879 177.760 175.800 0.134 0.000 1.105 110 F CA 1.390 59.426 58.000 0.059 0.000 1.239 110 F CB -0.312 38.689 39.000 0.002 0.000 0.991 110 F HN 0.006 nan 8.300 nan 0.000 0.474 111 D N -0.279 120.356 120.400 0.393 0.000 2.123 111 D HA -0.165 4.475 4.640 0.000 0.000 0.196 111 D C 2.311 178.639 176.300 0.046 0.000 0.992 111 D CA 2.063 56.215 54.000 0.253 0.000 0.833 111 D CB -0.827 40.170 40.800 0.329 0.000 0.954 111 D HN 0.294 nan 8.370 nan 0.000 0.455 112 T N 1.221 115.806 114.554 0.052 0.000 2.708 112 T HA -0.138 4.212 4.350 0.000 0.000 0.266 112 T C 1.943 176.606 174.700 -0.061 0.000 1.037 112 T CA 0.724 62.828 62.100 0.007 0.000 1.146 112 T CB -0.383 68.503 68.868 0.030 0.000 0.865 112 T HN 0.061 nan 8.240 nan 0.000 0.435 113 L N 1.538 122.699 121.223 -0.103 0.000 2.012 113 L HA -0.050 4.290 4.340 0.000 0.000 0.210 113 L C 2.407 179.126 176.870 -0.253 0.000 1.073 113 L CA 1.619 56.363 54.840 -0.160 0.000 0.748 113 L CB -0.860 41.088 42.059 -0.185 0.000 0.891 113 L HN 0.077 nan 8.230 nan 0.000 0.431 114 V N 0.326 120.006 119.914 -0.390 0.000 2.343 114 V HA -0.308 3.812 4.120 0.000 0.000 0.247 114 V C 2.278 178.072 176.094 -0.501 0.000 1.051 114 V CA 2.309 64.301 62.300 -0.513 0.000 1.036 114 V CB -1.028 30.458 31.823 -0.563 0.000 0.654 114 V HN 0.571 nan 8.190 nan 0.000 0.451 115 N N -0.004 118.550 118.700 -0.244 0.000 2.120 115 N HA -0.176 4.564 4.740 0.000 0.000 0.188 115 N C 1.453 176.924 175.510 -0.065 0.000 1.024 115 N CA 1.441 54.430 53.050 -0.101 0.000 0.852 115 N CB -0.141 38.337 38.487 -0.014 0.000 1.003 115 N HN 0.469 nan 8.380 nan 0.000 0.424 116 D N 0.469 120.821 120.400 -0.080 0.000 2.149 116 D HA -0.012 4.628 4.640 0.000 0.000 0.201 116 D C 1.901 178.175 176.300 -0.043 0.000 0.972 116 D CA 0.656 54.631 54.000 -0.042 0.000 0.835 116 D CB -0.326 40.452 40.800 -0.035 0.000 0.966 116 D HN 0.243 nan 8.370 nan 0.000 0.476 117 A N 0.399 123.158 122.820 -0.100 0.000 1.883 117 A HA -0.239 4.081 4.320 0.000 0.000 0.217 117 A C 1.861 179.464 177.584 0.033 0.000 1.186 117 A CA 1.638 53.635 52.037 -0.067 0.000 0.624 117 A CB -1.108 17.812 19.000 -0.132 0.000 0.822 117 A HN 0.399 nan 8.150 nan 0.000 0.444 118 H N -0.817 118.241 119.070 -0.020 0.000 2.352 118 H HA -0.150 4.406 4.556 0.000 0.000 0.299 118 H C 2.352 177.674 175.328 -0.010 0.000 1.097 118 H CA 1.326 57.367 56.048 -0.011 0.000 1.311 118 H CB -0.013 29.747 29.762 -0.004 0.000 1.377 118 H HN 0.618 nan 8.280 nan 0.000 0.504 119 Q N 0.334 120.202 119.800 0.115 0.000 2.181 119 Q HA -0.108 4.232 4.340 0.000 0.000 0.205 119 Q C 1.247 177.269 176.000 0.037 0.000 0.980 119 Q CA 0.814 56.652 55.803 0.058 0.000 0.862 119 Q CB 0.112 28.870 28.738 0.034 0.000 0.905 119 Q HN 0.504 nan 8.270 nan 0.000 0.429 120 N N -0.545 118.174 118.700 0.032 0.000 2.370 120 N HA 0.035 4.775 4.740 0.000 0.000 0.198 120 N C 0.402 175.921 175.510 0.015 0.000 1.156 120 N CA 0.787 53.846 53.050 0.015 0.000 0.839 120 N CB 1.059 39.548 38.487 0.004 0.000 0.989 120 N HN 0.351 nan 8.380 nan 0.000 0.468 121 G N 1.335 110.153 108.800 0.031 0.000 2.176 121 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 121 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 121 G C -0.067 174.848 174.900 0.025 0.000 1.024 121 G CA -0.043 45.068 45.100 0.018 0.000 0.755 121 G HN 0.333 nan 8.290 nan 0.000 0.507 122 I N -0.021 120.585 120.570 0.061 0.000 2.433 122 I HA 0.392 4.562 4.170 0.000 0.000 0.292 122 I C 0.510 176.711 176.117 0.141 0.000 1.001 122 I CA -0.901 60.434 61.300 0.058 0.000 1.119 122 I CB 1.700 39.712 38.000 0.021 0.000 1.289 122 I HN -0.055 nan 8.210 nan 0.000 0.438 123 K N 4.190 124.663 120.400 0.122 0.000 2.109 123 K HA 0.704 5.024 4.320 0.000 0.000 0.243 123 K C -1.056 175.627 176.600 0.140 0.000 1.006 123 K CA -0.754 55.645 56.287 0.187 0.000 0.917 123 K CB 1.990 34.562 32.500 0.120 0.000 1.081 123 K HN 0.246 nan 8.250 nan 0.000 0.468 124 V N 3.233 123.244 119.914 0.161 0.000 2.483 124 V HA 0.351 4.471 4.120 0.000 0.000 0.297 124 V C -0.322 175.878 176.094 0.177 0.000 1.027 124 V CA -0.837 61.531 62.300 0.114 0.000 0.855 124 V CB 1.161 32.980 31.823 -0.007 0.000 0.995 124 V HN 0.624 nan 8.190 nan 0.000 0.424 125 I N 2.936 123.627 120.570 0.202 0.000 2.525 125 I HA 0.869 5.039 4.170 0.000 0.000 0.301 125 I C -0.794 175.462 176.117 0.231 0.000 0.992 125 I CA -0.860 60.564 61.300 0.206 0.000 1.162 125 I CB 2.097 40.209 38.000 0.187 0.000 1.332 125 I HN 0.248 nan 8.210 nan 0.000 0.458 126 V N 3.440 123.480 119.914 0.211 0.000 2.513 126 V HA 0.265 4.385 4.120 0.000 0.000 0.299 126 V C -0.274 175.949 176.094 0.215 0.000 1.035 126 V CA -0.471 61.979 62.300 0.250 0.000 0.889 126 V CB 1.583 33.571 31.823 0.274 0.000 0.988 126 V HN 0.752 nan 8.190 nan 0.000 0.440 127 D N 3.086 123.647 120.400 0.267 0.000 2.358 127 D HA 0.174 4.814 4.640 0.000 0.000 0.258 127 D C -1.043 175.412 176.300 0.259 0.000 1.223 127 D CA 0.197 54.351 54.000 0.257 0.000 0.886 127 D CB 0.633 41.659 40.800 0.375 0.000 1.120 127 D HN 0.304 nan 8.370 nan 0.000 0.482 128 F N 3.752 123.763 119.950 0.100 0.000 2.495 128 F HA 0.379 4.906 4.527 0.000 0.000 0.327 128 F C -0.692 175.196 175.800 0.147 0.000 1.103 128 F CA -0.942 57.122 58.000 0.106 0.000 0.949 128 F CB 1.555 40.610 39.000 0.091 0.000 1.142 128 F HN 0.040 nan 8.300 nan 0.000 0.457 129 V N 8.271 127.944 119.914 -0.402 0.000 2.271 129 V HA 0.248 4.368 4.120 0.000 0.000 0.259 129 V C -1.910 173.993 176.094 -0.318 0.000 1.030 129 V CA -0.855 61.316 62.300 -0.215 0.000 0.957 129 V CB 0.577 32.340 31.823 -0.101 0.000 1.186 129 V HN 0.673 nan 8.190 nan 0.000 0.471 130 P HA -0.013 nan 4.420 nan 0.000 0.241 130 P C 1.113 178.098 177.300 -0.525 0.000 1.191 130 P CA 0.705 63.449 63.100 -0.593 0.000 0.771 130 P CB 0.449 31.785 31.700 -0.606 0.000 0.929 131 N N 0.540 119.005 118.700 -0.391 0.000 2.270 131 N HA -0.103 4.637 4.740 0.000 0.000 0.181 131 N C 0.695 176.164 175.510 -0.069 0.000 1.016 131 N CA 0.639 53.591 53.050 -0.163 0.000 0.870 131 N CB -0.035 38.536 38.487 0.140 0.000 0.979 131 N HN 0.309 nan 8.380 nan 0.000 0.431 132 H N -4.153 114.967 119.070 0.083 0.000 2.981 132 H HA 0.348 4.904 4.556 0.000 0.000 0.327 132 H C -0.169 175.320 175.328 0.268 0.000 1.342 132 H CA -0.331 55.811 56.048 0.157 0.000 1.123 132 H CB 0.750 30.602 29.762 0.150 0.000 1.851 132 H HN 0.036 nan 8.280 nan 0.000 0.531 133 S N 1.046 117.033 115.700 0.478 0.000 2.965 133 S HA 0.315 4.785 4.470 0.000 0.000 0.165 133 S C 0.616 175.436 174.600 0.367 0.000 0.735 133 S CA 0.710 59.169 58.200 0.431 0.000 0.985 133 S CB -0.165 63.302 63.200 0.444 0.000 0.675 133 S HN 1.000 nan 8.310 nan 0.000 0.592 134 T N -1.076 113.611 114.554 0.222 0.000 2.888 134 T HA 0.707 5.057 4.350 0.000 0.000 0.288 134 T C -3.357 171.292 174.700 -0.084 0.000 1.063 134 T CA -2.286 59.843 62.100 0.049 0.000 1.010 134 T CB 0.941 69.847 68.868 0.064 0.000 1.214 134 T HN 0.151 nan 8.240 nan 0.000 0.533 135 P HA 0.361 nan 4.420 nan 0.000 0.265 135 P C -0.962 176.367 177.300 0.048 0.000 1.193 135 P CA -0.033 62.814 63.100 -0.422 0.000 0.765 135 P CB -0.075 30.853 31.700 -1.287 0.000 0.823 136 F N 0.381 120.339 119.950 0.013 0.000 2.686 136 F HA 0.716 5.243 4.527 0.000 0.000 0.311 136 F C -1.505 174.344 175.800 0.082 0.000 1.128 136 F CA -1.273 56.816 58.000 0.149 0.000 0.946 136 F CB 1.381 40.377 39.000 -0.006 0.000 1.336 136 F HN -0.133 nan 8.300 nan 0.000 0.457 137 K N 1.726 122.144 120.400 0.031 0.000 2.323 137 K HA 0.629 4.949 4.320 0.000 0.000 0.259 137 K C 0.412 177.119 176.600 0.179 0.000 0.947 137 K CA -0.229 55.936 56.287 -0.203 0.000 0.819 137 K CB 1.723 34.095 32.500 -0.213 0.000 1.109 137 K HN 0.903 nan 8.250 nan 0.000 0.429 138 A N 2.729 125.558 122.820 0.016 0.000 1.972 138 A HA -0.198 4.122 4.320 0.000 0.000 0.219 138 A C 1.357 179.187 177.584 0.410 0.000 1.169 138 A CA 1.874 54.104 52.037 0.323 0.000 0.635 138 A CB -0.399 18.714 19.000 0.188 0.000 0.810 138 A HN 0.781 nan 8.150 nan 0.000 0.446 139 N N -0.867 117.970 118.700 0.228 0.000 2.336 139 N HA 0.009 4.749 4.740 0.000 0.000 0.189 139 N C -0.832 174.778 175.510 0.165 0.000 1.113 139 N CA 0.704 53.868 53.050 0.190 0.000 0.858 139 N CB 0.121 38.660 38.487 0.086 0.000 0.970 139 N HN 0.267 nan 8.380 nan 0.000 0.471 140 D N -0.069 120.451 120.400 0.199 0.000 2.470 140 D HA 0.104 4.744 4.640 0.000 0.000 0.233 140 D C 0.254 176.548 176.300 -0.011 0.000 1.372 140 D CA -0.379 53.664 54.000 0.071 0.000 0.994 140 D CB 1.341 42.184 40.800 0.071 0.000 1.377 140 D HN 0.050 nan 8.370 nan 0.000 0.586 141 S N 1.197 116.639 115.700 -0.431 0.000 2.561 141 S HA -0.111 4.359 4.470 0.000 0.000 0.225 141 S C 1.615 176.057 174.600 -0.263 0.000 0.977 141 S CA 1.191 58.891 58.200 -0.834 0.000 0.926 141 S CB -0.363 61.980 63.200 -1.429 0.000 0.769 141 S HN 0.489 nan 8.310 nan 0.000 0.533 142 T N -1.620 112.871 114.554 -0.106 0.000 3.088 142 T HA 0.208 4.558 4.350 0.000 0.000 0.259 142 T C 0.226 174.949 174.700 0.037 0.000 1.122 142 T CA -0.469 61.611 62.100 -0.033 0.000 1.095 142 T CB -0.770 68.089 68.868 -0.016 0.000 0.930 142 T HN 0.340 nan 8.240 nan 0.000 0.508 143 F N 3.249 123.180 119.950 -0.031 0.000 2.504 143 F HA 0.493 5.020 4.527 0.000 0.000 0.369 143 F C 1.091 176.878 175.800 -0.021 0.000 1.082 143 F CA -0.274 57.715 58.000 -0.017 0.000 1.216 143 F CB -0.149 38.848 39.000 -0.004 0.000 1.108 143 F HN 0.575 nan 8.300 nan 0.000 0.554 144 A N 4.806 127.123 122.820 -0.839 0.000 5.479 144 A HA -0.355 3.965 4.320 0.000 0.000 0.301 144 A C 1.046 178.502 177.584 -0.213 0.000 1.961 144 A CA 1.457 53.129 52.037 -0.608 0.000 0.716 144 A CB -1.490 17.055 19.000 -0.758 0.000 1.266 144 A HN 0.816 nan 8.150 nan 0.000 0.372 145 E N 0.457 120.602 120.200 -0.091 0.000 2.558 145 E HA 0.415 4.765 4.350 0.000 0.000 0.205 145 E C 0.971 177.644 176.600 0.122 0.000 1.006 145 E CA 0.587 57.011 56.400 0.040 0.000 0.961 145 E CB 0.153 29.916 29.700 0.105 0.000 1.044 145 E HN 2.117 nan 8.360 nan 0.000 0.465 146 G N 0.936 109.836 108.800 0.167 0.000 2.203 146 G HA2 -0.331 3.629 3.960 0.000 0.000 0.263 146 G HA3 -0.331 3.629 3.960 0.000 0.000 0.263 146 G C 0.917 175.959 174.900 0.235 0.000 1.012 146 G CA 0.318 45.634 45.100 0.361 0.000 0.749 146 G HN 0.683 nan 8.290 nan 0.000 0.512 147 G N -1.759 107.109 108.800 0.112 0.000 2.143 147 G HA2 0.185 4.145 3.960 0.000 0.000 0.249 147 G HA3 0.185 4.145 3.960 0.000 0.000 0.249 147 G C 0.899 175.840 174.900 0.070 0.000 0.981 147 G CA 1.035 46.109 45.100 -0.043 0.000 0.665 147 G HN 2.338 nan 8.290 nan 0.000 0.528 148 A N -0.517 122.414 122.820 0.186 0.000 2.587 148 A HA 0.498 4.818 4.320 0.000 0.000 0.235 148 A C 0.210 177.953 177.584 0.266 0.000 1.044 148 A CA 1.077 53.272 52.037 0.262 0.000 0.754 148 A CB 0.490 19.730 19.000 0.399 0.000 0.968 148 A HN 1.624 nan 8.150 nan 0.000 0.509 149 L N 3.091 124.366 121.223 0.087 0.000 2.362 149 L HA 0.742 5.082 4.340 0.000 0.000 0.275 149 L C -1.296 175.447 176.870 -0.212 0.000 0.998 149 L CA -0.287 54.599 54.840 0.077 0.000 0.820 149 L CB 1.372 43.439 42.059 0.012 0.000 1.270 149 L HN 0.636 nan 8.230 nan 0.000 0.415 150 Y N 2.424 122.777 120.300 0.089 0.000 2.549 150 Y HA 0.490 5.040 4.550 0.000 0.000 0.339 150 Y C -0.009 175.970 175.900 0.131 0.000 1.053 150 Y CA -0.778 57.378 58.100 0.094 0.000 1.105 150 Y CB 1.568 40.124 38.460 0.159 0.000 1.258 150 Y HN 0.612 nan 8.280 nan 0.000 0.478 151 N N 2.409 121.266 118.700 0.260 0.000 2.706 151 N HA 0.153 4.893 4.740 0.000 0.000 0.240 151 N C -0.743 174.928 175.510 0.268 0.000 1.039 151 N CA -0.280 52.961 53.050 0.318 0.000 0.888 151 N CB -0.155 38.440 38.487 0.178 0.000 1.128 151 N HN 0.657 nan 8.380 nan 0.000 0.512 152 N N 3.134 121.995 118.700 0.269 0.000 2.725 152 N HA -0.205 4.535 4.740 0.000 0.000 0.251 152 N C 0.823 176.435 175.510 0.170 0.000 1.031 152 N CA 1.764 54.931 53.050 0.195 0.000 0.720 152 N CB -1.241 37.341 38.487 0.158 0.000 0.930 152 N HN 0.959 nan 8.380 nan 0.000 0.543 153 G N -2.505 106.411 108.800 0.195 0.000 2.241 153 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 153 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 153 G C 0.285 175.373 174.900 0.314 0.000 0.998 153 G CA 0.491 45.691 45.100 0.167 0.000 0.621 153 G HN 0.709 nan 8.290 nan 0.000 0.519 154 T N 1.502 116.233 114.554 0.295 0.000 2.749 154 T HA 0.442 4.792 4.350 0.000 0.000 0.295 154 T C -0.113 174.761 174.700 0.290 0.000 0.936 154 T CA -0.238 62.022 62.100 0.266 0.000 1.060 154 T CB 1.133 70.094 68.868 0.155 0.000 0.904 154 T HN 0.366 nan 8.240 nan 0.000 0.500 155 Y N 3.917 124.288 120.300 0.117 0.000 2.620 155 Y HA 0.109 4.659 4.550 0.000 0.000 0.330 155 Y C 1.002 176.809 175.900 -0.155 0.000 1.186 155 Y CA 0.003 57.966 58.100 -0.228 0.000 1.467 155 Y CB 0.369 38.714 38.460 -0.192 0.000 1.262 155 Y HN 0.700 nan 8.280 nan 0.000 0.550 156 M N 3.602 122.741 119.600 -0.768 0.000 2.738 156 M HA 0.348 4.828 4.480 0.000 0.000 0.256 156 M C 0.774 176.692 176.300 -0.637 0.000 1.253 156 M CA 0.986 55.968 55.300 -0.531 0.000 1.223 156 M CB 0.507 32.804 32.600 -0.506 0.000 1.263 156 M HN 0.800 nan 8.290 nan 0.000 0.521 157 G N 0.445 108.651 108.800 -0.990 0.000 2.316 157 G HA2 0.308 4.269 3.960 0.000 0.000 0.296 157 G HA3 0.308 4.269 3.960 0.000 0.000 0.296 157 G C -2.110 172.726 174.900 -0.106 0.000 1.399 157 G CA -0.714 44.056 45.100 -0.549 0.000 0.833 157 G HN 0.369 nan 8.290 nan 0.000 0.565 158 N N -2.222 116.572 118.700 0.156 0.000 3.283 158 N HA 0.409 5.149 4.740 0.000 0.000 0.338 158 N C 0.581 175.985 175.510 -0.176 0.000 1.517 158 N CA -0.978 52.133 53.050 0.102 0.000 0.733 158 N CB 0.401 39.036 38.487 0.247 0.000 1.797 158 N HN 0.514 nan 8.380 nan 0.000 0.637 159 Y N -0.772 119.155 120.300 -0.622 0.000 2.497 159 Y HA 0.193 4.743 4.550 0.000 0.000 0.292 159 Y C 0.665 176.185 175.900 -0.633 0.000 1.137 159 Y CA 1.204 58.732 58.100 -0.953 0.000 1.285 159 Y CB -0.121 37.443 38.460 -1.493 0.000 0.991 159 Y HN 0.456 nan 8.280 nan 0.000 0.556 160 F N -0.502 119.388 119.950 -0.099 0.000 2.717 160 F HA 0.110 4.637 4.527 0.000 0.000 0.295 160 F C 0.965 176.725 175.800 -0.066 0.000 1.117 160 F CA 0.338 58.304 58.000 -0.056 0.000 1.361 160 F CB 0.080 39.105 39.000 0.041 0.000 1.112 160 F HN 0.080 nan 8.300 nan 0.000 0.594 161 D N -1.791 118.671 120.400 0.104 0.000 2.643 161 D HA 0.050 4.690 4.640 0.000 0.000 0.244 161 D C 0.383 176.652 176.300 -0.052 0.000 1.257 161 D CA 0.085 54.112 54.000 0.046 0.000 0.831 161 D CB -0.343 40.527 40.800 0.116 0.000 1.043 161 D HN 0.028 nan 8.370 nan 0.000 0.488 162 D N -0.104 120.229 120.400 -0.113 0.000 2.349 162 D HA 0.230 4.870 4.640 0.000 0.000 0.214 162 D C 2.046 178.205 176.300 -0.235 0.000 1.063 162 D CA 0.463 54.372 54.000 -0.152 0.000 0.847 162 D CB 0.340 41.159 40.800 0.031 0.000 0.933 162 D HN 0.184 nan 8.370 nan 0.000 0.513 163 A N -0.140 122.538 122.820 -0.236 0.000 1.903 163 A HA -0.223 4.097 4.320 0.000 0.000 0.219 163 A C 2.173 179.643 177.584 -0.190 0.000 1.191 163 A CA 2.509 54.410 52.037 -0.226 0.000 0.638 163 A CB -1.094 17.805 19.000 -0.168 0.000 0.823 163 A HN 0.393 nan 8.150 nan 0.000 0.451 164 T N -4.187 110.259 114.554 -0.179 0.000 3.122 164 T HA 0.335 4.685 4.350 0.000 0.000 0.250 164 T C 1.202 175.767 174.700 -0.225 0.000 1.067 164 T CA 0.629 62.630 62.100 -0.164 0.000 0.966 164 T CB 0.286 69.079 68.868 -0.124 0.000 1.002 164 T HN 0.529 nan 8.240 nan 0.000 0.542 165 K N 0.594 120.791 120.400 -0.338 0.000 2.325 165 K HA 0.434 4.754 4.320 0.000 0.000 0.203 165 K C 1.396 177.715 176.600 -0.468 0.000 1.128 165 K CA 0.369 56.304 56.287 -0.587 0.000 0.931 165 K CB 0.169 31.975 32.500 -1.157 0.000 1.125 165 K HN 0.298 nan 8.250 nan 0.000 0.487 166 G N 1.663 110.273 108.800 -0.317 0.000 2.225 166 G HA2 -0.243 3.717 3.960 0.000 0.000 0.264 166 G HA3 -0.243 3.717 3.960 0.000 0.000 0.264 166 G C 0.171 175.029 174.900 -0.071 0.000 1.060 166 G CA 0.323 45.357 45.100 -0.111 0.000 0.833 166 G HN 0.181 nan 8.290 nan 0.000 0.498 167 Y N -1.123 119.048 120.300 -0.214 0.000 2.373 167 Y HA 0.363 4.913 4.550 0.000 0.000 0.293 167 Y C 1.496 176.925 175.900 -0.784 0.000 1.129 167 Y CA -0.137 57.642 58.100 -0.535 0.000 1.226 167 Y CB -0.177 37.852 38.460 -0.718 0.000 1.000 167 Y HN 0.360 nan 8.280 nan 0.000 0.549 168 F N -1.748 118.154 119.950 -0.080 0.000 2.556 168 F HA 0.410 4.937 4.527 0.000 0.000 0.327 168 F C 0.178 175.818 175.800 -0.267 0.000 1.059 168 F CA -1.620 56.221 58.000 -0.265 0.000 0.953 168 F CB 0.837 39.633 39.000 -0.341 0.000 1.227 168 F HN -0.204 nan 8.300 nan 0.000 0.478 169 H N 0.714 119.807 119.070 0.038 0.000 2.629 169 H HA 0.253 4.809 4.556 0.000 0.000 0.357 169 H C -0.484 174.776 175.328 -0.113 0.000 1.121 169 H CA -0.248 55.839 56.048 0.064 0.000 1.406 169 H CB 0.605 30.434 29.762 0.112 0.000 1.456 169 H HN 0.497 nan 8.280 nan 0.000 0.579 170 H N 2.400 121.652 119.070 0.303 0.000 2.551 170 H HA 0.126 4.682 4.556 0.000 0.000 0.238 170 H C -0.107 175.350 175.328 0.215 0.000 1.345 170 H CA -0.230 55.963 56.048 0.241 0.000 1.105 170 H CB 0.285 30.064 29.762 0.028 0.000 1.805 170 H HN 0.670 nan 8.280 nan 0.000 0.553 171 N N 0.884 119.747 118.700 0.271 0.000 2.187 171 N HA 0.147 4.887 4.740 0.000 0.000 0.212 171 N C 1.063 176.661 175.510 0.147 0.000 1.152 171 N CA 0.545 53.717 53.050 0.203 0.000 0.872 171 N CB 2.123 40.729 38.487 0.198 0.000 1.025 171 N HN 0.650 nan 8.380 nan 0.000 0.514 172 G N 0.906 109.795 108.800 0.147 0.000 2.710 172 G HA2 -0.199 3.761 3.960 0.000 0.000 0.668 172 G HA3 -0.199 3.761 3.960 0.000 0.000 0.668 172 G C -1.408 173.500 174.900 0.013 0.000 1.320 172 G CA -0.828 44.319 45.100 0.078 0.000 0.860 172 G HN 0.106 nan 8.290 nan 0.000 0.538 173 D N -0.210 120.162 120.400 -0.046 0.000 2.304 173 D HA 0.471 5.111 4.640 0.000 0.000 0.247 173 D C 1.273 177.465 176.300 -0.181 0.000 1.089 173 D CA -0.139 53.789 54.000 -0.121 0.000 0.910 173 D CB 0.970 41.691 40.800 -0.133 0.000 1.199 173 D HN 0.539 nan 8.370 nan 0.000 0.426 174 I N 1.289 121.656 120.570 -0.338 0.000 2.775 174 I HA -0.129 4.041 4.170 0.000 0.000 0.290 174 I C 1.547 177.434 176.117 -0.384 0.000 1.203 174 I CA 0.556 61.543 61.300 -0.521 0.000 1.433 174 I CB 0.721 38.021 38.000 -1.166 0.000 1.354 174 I HN 0.282 nan 8.210 nan 0.000 0.579 175 S N 4.463 120.010 115.700 -0.255 0.000 2.811 175 S HA 0.070 4.540 4.470 0.000 0.000 0.237 175 S C 0.713 175.298 174.600 -0.024 0.000 1.038 175 S CA -0.038 58.106 58.200 -0.094 0.000 0.881 175 S CB 0.208 63.381 63.200 -0.045 0.000 0.815 175 S HN 0.711 nan 8.310 nan 0.000 0.582 176 N N 0.699 119.370 118.700 -0.049 0.000 2.527 176 N HA 0.217 4.957 4.740 0.000 0.000 0.236 176 N C -0.408 175.114 175.510 0.020 0.000 0.999 176 N CA -0.468 52.608 53.050 0.042 0.000 0.935 176 N CB 0.218 38.726 38.487 0.035 0.000 1.132 176 N HN 0.420 nan 8.380 nan 0.000 0.511 177 W N 1.420 122.698 121.300 -0.037 0.000 2.525 177 W HA 0.022 4.682 4.660 0.000 0.000 0.259 177 W C 0.999 177.515 176.519 -0.006 0.000 1.253 177 W CA 0.212 57.537 57.345 -0.034 0.000 1.262 177 W CB 0.322 29.736 29.460 -0.076 0.000 1.122 177 W HN 0.493 nan 8.180 nan 0.000 0.607 178 D N -0.758 119.760 120.400 0.197 0.000 2.339 178 D HA -0.044 4.597 4.640 0.000 0.000 0.217 178 D C -0.389 175.968 176.300 0.095 0.000 1.050 178 D CA 0.625 54.708 54.000 0.138 0.000 0.856 178 D CB -0.182 40.692 40.800 0.124 0.000 0.922 178 D HN 0.162 nan 8.370 nan 0.000 0.518 179 D N 0.496 120.939 120.400 0.071 0.000 2.316 179 D HA 0.058 4.698 4.640 0.000 0.000 0.245 179 D C 1.448 177.789 176.300 0.068 0.000 1.171 179 D CA -0.393 53.644 54.000 0.062 0.000 0.856 179 D CB 0.844 41.676 40.800 0.054 0.000 1.090 179 D HN -0.356 nan 8.370 nan 0.000 0.476 180 R N 3.003 123.553 120.500 0.083 0.000 2.096 180 R HA -0.183 4.157 4.340 0.000 0.000 0.235 180 R C 1.567 177.969 176.300 0.170 0.000 1.127 180 R CA 1.055 57.210 56.100 0.092 0.000 0.968 180 R CB -1.021 29.321 30.300 0.070 0.000 0.861 180 R HN 0.690 nan 8.270 nan 0.000 0.440 181 Y N 2.232 122.598 120.300 0.109 0.000 2.145 181 Y HA -0.180 4.370 4.550 0.000 0.000 0.286 181 Y C 2.046 178.091 175.900 0.241 0.000 1.145 181 Y CA 1.666 59.895 58.100 0.214 0.000 1.148 181 Y CB -0.127 38.371 38.460 0.063 0.000 0.981 181 Y HN 0.104 nan 8.280 nan 0.000 0.507 182 E N 0.038 120.249 120.200 0.019 0.000 2.077 182 E HA -0.225 4.125 4.350 0.000 0.000 0.193 182 E C 2.356 178.853 176.600 -0.172 0.000 0.989 182 E CA 1.017 57.344 56.400 -0.122 0.000 0.800 182 E CB -0.385 29.266 29.700 -0.082 0.000 0.746 182 E HN 0.583 nan 8.360 nan 0.000 0.452 183 A N 0.983 123.745 122.820 -0.098 0.000 1.978 183 A HA -0.251 4.069 4.320 0.000 0.000 0.220 183 A C 1.954 179.558 177.584 0.034 0.000 1.170 183 A CA 1.530 53.536 52.037 -0.052 0.000 0.636 183 A CB -0.244 18.724 19.000 -0.053 0.000 0.810 183 A HN 0.207 nan 8.150 nan 0.000 0.448 184 Q N -2.618 117.157 119.800 -0.042 0.000 2.324 184 Q HA 0.037 4.378 4.340 0.000 0.000 0.207 184 Q C 1.655 177.432 176.000 -0.372 0.000 0.928 184 Q CA 0.374 56.074 55.803 -0.173 0.000 0.890 184 Q CB 0.079 28.677 28.738 -0.233 0.000 1.001 184 Q HN 0.874 nan 8.270 nan 0.000 0.517 185 W N 1.225 122.282 121.300 -0.404 0.000 3.107 185 W HA 0.243 4.903 4.660 0.000 0.000 0.293 185 W C 0.357 176.675 176.519 -0.335 0.000 1.239 185 W CA 0.012 57.017 57.345 -0.567 0.000 1.653 185 W CB 0.733 29.638 29.460 -0.925 0.000 1.068 185 W HN -0.028 nan 8.180 nan 0.000 0.615 186 K N 1.024 121.349 120.400 -0.125 0.000 2.168 186 K HA 0.197 4.518 4.320 0.000 0.000 0.239 186 K C 0.095 176.652 176.600 -0.072 0.000 0.999 186 K CA -0.765 55.477 56.287 -0.075 0.000 0.900 186 K CB 0.668 33.092 32.500 -0.127 0.000 1.111 186 K HN -0.344 nan 8.250 nan 0.000 0.452 187 N N 1.185 119.853 118.700 -0.053 0.000 2.514 187 N HA 0.077 4.817 4.740 0.000 0.000 0.277 187 N C -0.606 174.825 175.510 -0.132 0.000 1.126 187 N CA -0.110 52.933 53.050 -0.012 0.000 0.978 187 N CB 0.244 38.757 38.487 0.043 0.000 1.106 187 N HN 0.363 nan 8.380 nan 0.000 0.461 188 F N 1.734 121.564 119.950 -0.201 0.000 2.538 188 F HA 0.062 4.589 4.527 0.000 0.000 0.371 188 F C 1.064 176.802 175.800 -0.103 0.000 1.087 188 F CA -0.098 57.769 58.000 -0.222 0.000 1.250 188 F CB 0.350 39.235 39.000 -0.191 0.000 1.110 188 F HN 0.406 nan 8.300 nan 0.000 0.570 189 T N 2.292 116.877 114.554 0.051 0.000 2.940 189 T HA 0.393 4.743 4.350 0.000 0.000 0.288 189 T C -1.093 173.653 174.700 0.075 0.000 1.033 189 T CA -1.030 61.096 62.100 0.045 0.000 1.033 189 T CB 1.871 70.726 68.868 -0.022 0.000 1.079 189 T HN 0.545 nan 8.240 nan 0.000 0.496 190 D N 0.910 121.213 120.400 -0.162 0.000 2.498 190 D HA 0.390 5.030 4.640 0.000 0.000 0.247 190 D C -1.896 174.189 176.300 -0.358 0.000 1.070 190 D CA -2.396 51.443 54.000 -0.269 0.000 0.842 190 D CB 2.459 42.919 40.800 -0.566 0.000 1.361 190 D HN 0.193 nan 8.370 nan 0.000 0.484 191 P HA 0.021 nan 4.420 nan 0.000 0.228 191 P C 0.772 177.957 177.300 -0.190 0.000 1.151 191 P CA 0.517 63.509 63.100 -0.181 0.000 0.770 191 P CB 0.166 31.792 31.700 -0.123 0.000 0.786 192 A N -0.459 122.200 122.820 -0.268 0.000 2.209 192 A HA 0.359 4.679 4.320 0.000 0.000 0.212 192 A C 1.585 179.039 177.584 -0.216 0.000 1.158 192 A CA 0.978 52.911 52.037 -0.173 0.000 0.742 192 A CB -1.158 17.831 19.000 -0.018 0.000 0.790 192 A HN 0.273 nan 8.150 nan 0.000 0.472 193 G N -1.897 106.674 108.800 -0.381 0.000 2.155 193 G HA2 -0.019 3.941 3.960 0.000 0.000 0.135 193 G HA3 -0.019 3.941 3.960 0.000 0.000 0.135 193 G C -0.151 174.593 174.900 -0.261 0.000 1.023 193 G CA -0.083 44.864 45.100 -0.254 0.000 0.688 193 G HN 1.282 nan 8.290 nan 0.000 0.499 194 F N -1.186 118.637 119.950 -0.212 0.000 2.715 194 F HA 0.907 5.434 4.527 0.000 0.000 0.318 194 F C -0.096 175.524 175.800 -0.300 0.000 1.141 194 F CA -1.345 56.453 58.000 -0.336 0.000 0.950 194 F CB 0.721 39.553 39.000 -0.280 0.000 1.374 194 F HN 0.077 nan 8.300 nan 0.000 0.477 195 S N 0.617 116.208 115.700 -0.182 0.000 2.648 195 S HA 0.784 5.254 4.470 0.000 0.000 0.305 195 S C -0.981 173.606 174.600 -0.022 0.000 1.094 195 S CA -0.874 57.185 58.200 -0.234 0.000 0.983 195 S CB 1.692 64.537 63.200 -0.592 0.000 1.101 195 S HN 0.580 nan 8.310 nan 0.000 0.514 196 L N 1.748 123.033 121.223 0.104 0.000 2.296 196 L HA 0.580 4.920 4.340 0.000 0.000 0.286 196 L C 0.307 177.365 176.870 0.314 0.000 1.023 196 L CA -0.975 53.945 54.840 0.133 0.000 0.812 196 L CB 1.160 43.111 42.059 -0.180 0.000 1.223 196 L HN 0.749 nan 8.230 nan 0.000 0.421 197 A N 1.977 124.968 122.820 0.284 0.000 2.515 197 A HA 0.040 4.360 4.320 0.000 0.000 0.263 197 A C -0.134 177.606 177.584 0.259 0.000 1.096 197 A CA -0.075 51.942 52.037 -0.032 0.000 0.769 197 A CB -0.308 18.393 19.000 -0.497 0.000 1.040 197 A HN 0.741 nan 8.150 nan 0.000 0.505 198 D N 2.882 123.424 120.400 0.236 0.000 2.336 198 D HA 0.377 5.017 4.640 0.000 0.000 0.249 198 D C 0.105 176.451 176.300 0.075 0.000 1.213 198 D CA 0.077 54.207 54.000 0.217 0.000 0.870 198 D CB 0.215 41.148 40.800 0.221 0.000 1.076 198 D HN 0.483 nan 8.370 nan 0.000 0.483 199 L N 2.411 123.605 121.223 -0.048 0.000 2.461 199 L HA 0.087 4.428 4.340 0.000 0.000 0.272 199 L C 0.799 177.279 176.870 -0.650 0.000 1.197 199 L CA -0.094 54.517 54.840 -0.381 0.000 0.836 199 L CB 0.832 42.660 42.059 -0.384 0.000 1.105 199 L HN 0.339 nan 8.230 nan 0.000 0.477 200 S N 1.339 116.609 115.700 -0.717 0.000 2.415 200 S HA 0.175 4.645 4.470 0.000 0.000 0.313 200 S C 0.587 174.924 174.600 -0.437 0.000 1.067 200 S CA -0.745 57.032 58.200 -0.705 0.000 1.099 200 S CB 0.622 63.583 63.200 -0.398 0.000 0.991 200 S HN 0.587 nan 8.310 nan 0.000 0.491 201 Q N 2.825 122.376 119.800 -0.415 0.000 2.488 201 Q HA 0.036 4.376 4.340 0.000 0.000 0.211 201 Q C 1.013 176.808 176.000 -0.342 0.000 0.967 201 Q CA 0.858 56.319 55.803 -0.570 0.000 0.926 201 Q CB 0.066 28.349 28.738 -0.759 0.000 0.992 201 Q HN 0.673 nan 8.270 nan 0.000 0.506 202 E N 0.047 120.185 120.200 -0.102 0.000 2.478 202 E HA 0.008 4.358 4.350 0.000 0.000 0.194 202 E C 0.035 176.627 176.600 -0.013 0.000 1.045 202 E CA -0.006 56.409 56.400 0.024 0.000 0.868 202 E CB 0.137 29.955 29.700 0.196 0.000 0.885 202 E HN 0.200 nan 8.360 nan 0.000 0.505 203 N N 0.501 119.152 118.700 -0.081 0.000 2.444 203 N HA 0.033 4.774 4.740 0.000 0.000 0.271 203 N C 0.975 176.431 175.510 -0.090 0.000 1.069 203 N CA 0.226 53.239 53.050 -0.063 0.000 0.965 203 N CB 1.470 39.919 38.487 -0.063 0.000 1.092 203 N HN 0.121 nan 8.380 nan 0.000 0.476 204 G N 2.478 111.253 108.800 -0.042 0.000 2.418 204 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 204 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 204 G C 1.202 176.067 174.900 -0.058 0.000 1.158 204 G CA 1.075 46.153 45.100 -0.037 0.000 0.771 204 G HN 0.646 nan 8.290 nan 0.000 0.545 205 T N 1.637 116.154 114.554 -0.062 0.000 2.708 205 T HA -0.085 4.265 4.350 0.000 0.000 0.266 205 T C 2.336 176.903 174.700 -0.221 0.000 1.037 205 T CA 0.932 62.960 62.100 -0.119 0.000 1.146 205 T CB -0.081 68.724 68.868 -0.104 0.000 0.865 205 T HN 0.077 nan 8.240 nan 0.000 0.435 206 I N 1.592 121.977 120.570 -0.308 0.000 2.252 206 I HA -0.060 4.110 4.170 0.000 0.000 0.245 206 I C 2.895 178.848 176.117 -0.273 0.000 1.102 206 I CA 0.903 61.977 61.300 -0.377 0.000 1.385 206 I CB -1.652 36.061 38.000 -0.479 0.000 1.064 206 I HN 0.177 nan 8.210 nan 0.000 0.414 207 A N 0.145 122.795 122.820 -0.284 0.000 1.877 207 A HA -0.274 4.046 4.320 0.000 0.000 0.216 207 A C 2.294 179.880 177.584 0.004 0.000 1.186 207 A CA 1.943 53.813 52.037 -0.278 0.000 0.620 207 A CB -0.654 18.222 19.000 -0.206 0.000 0.822 207 A HN 0.401 nan 8.150 nan 0.000 0.443 208 Q N -1.595 118.208 119.800 0.004 0.000 2.119 208 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 208 Q C 1.809 177.832 176.000 0.039 0.000 0.972 208 Q CA 2.063 57.889 55.803 0.038 0.000 0.847 208 Q CB -0.619 28.131 28.738 0.021 0.000 0.903 208 Q HN 0.741 nan 8.270 nan 0.000 0.433 209 Y N 0.055 120.276 120.300 -0.131 0.000 2.128 209 Y HA -0.207 4.343 4.550 0.000 0.000 0.284 209 Y C 1.594 177.428 175.900 -0.109 0.000 1.154 209 Y CA 1.866 59.879 58.100 -0.145 0.000 1.149 209 Y CB -0.247 38.056 38.460 -0.261 0.000 0.976 209 Y HN 0.147 nan 8.280 nan 0.000 0.505 210 L N -0.880 120.261 121.223 -0.137 0.000 2.093 210 L HA -0.219 4.121 4.340 0.000 0.000 0.208 210 L C 2.357 179.266 176.870 0.066 0.000 1.085 210 L CA 1.722 56.482 54.840 -0.133 0.000 0.755 210 L CB -0.908 41.111 42.059 -0.067 0.000 0.904 210 L HN 0.223 nan 8.230 nan 0.000 0.435 211 T N -0.826 113.784 114.554 0.092 0.000 2.674 211 T HA -0.188 4.162 4.350 0.000 0.000 0.265 211 T C 1.453 176.113 174.700 -0.067 0.000 1.039 211 T CA 1.602 63.714 62.100 0.021 0.000 1.150 211 T CB -0.266 68.633 68.868 0.053 0.000 0.864 211 T HN 0.309 nan 8.240 nan 0.000 0.427 212 D N 1.326 121.684 120.400 -0.069 0.000 2.123 212 D HA -0.045 4.595 4.640 0.000 0.000 0.196 212 D C 2.305 178.536 176.300 -0.115 0.000 0.992 212 D CA 1.276 55.224 54.000 -0.087 0.000 0.833 212 D CB -0.485 40.272 40.800 -0.072 0.000 0.954 212 D HN 0.421 nan 8.370 nan 0.000 0.455 213 A N 0.861 123.594 122.820 -0.146 0.000 1.898 213 A HA 0.016 4.336 4.320 0.000 0.000 0.216 213 A C 2.304 179.833 177.584 -0.092 0.000 1.181 213 A CA 2.041 54.046 52.037 -0.054 0.000 0.620 213 A CB -0.625 18.397 19.000 0.037 0.000 0.819 213 A HN 0.235 nan 8.150 nan 0.000 0.442 214 A N -0.553 122.087 122.820 -0.300 0.000 1.898 214 A HA 0.019 4.339 4.320 0.000 0.000 0.216 214 A C 2.195 179.602 177.584 -0.295 0.000 1.181 214 A CA 1.683 53.344 52.037 -0.627 0.000 0.620 214 A CB -0.914 17.591 19.000 -0.824 0.000 0.819 214 A HN 0.375 nan 8.150 nan 0.000 0.442 215 V N 0.161 119.960 119.914 -0.192 0.000 2.407 215 V HA -0.321 3.799 4.120 0.000 0.000 0.248 215 V C 2.708 178.760 176.094 -0.070 0.000 1.055 215 V CA 2.311 64.544 62.300 -0.113 0.000 1.049 215 V CB -0.793 30.977 31.823 -0.088 0.000 0.662 215 V HN 0.788 nan 8.190 nan 0.000 0.455 216 Q N -0.370 119.384 119.800 -0.078 0.000 2.084 216 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 216 Q C 2.245 178.241 176.000 -0.006 0.000 0.978 216 Q CA 1.755 57.514 55.803 -0.073 0.000 0.844 216 Q CB -0.148 28.494 28.738 -0.160 0.000 0.898 216 Q HN 0.613 nan 8.270 nan 0.000 0.426 217 L N -0.329 120.905 121.223 0.018 0.000 2.046 217 L HA -0.191 4.149 4.340 0.000 0.000 0.208 217 L C 2.374 179.367 176.870 0.204 0.000 1.077 217 L CA 0.851 55.766 54.840 0.124 0.000 0.747 217 L CB -0.346 41.755 42.059 0.069 0.000 0.896 217 L HN 0.137 nan 8.230 nan 0.000 0.432 218 V N -0.132 119.840 119.914 0.096 0.000 2.515 218 V HA -0.246 3.874 4.120 0.000 0.000 0.250 218 V C 2.670 178.833 176.094 0.115 0.000 1.058 218 V CA 1.626 63.991 62.300 0.108 0.000 1.064 218 V CB -0.842 31.001 31.823 0.033 0.000 0.675 218 V HN 0.478 nan 8.190 nan 0.000 0.461 219 A N -1.370 121.495 122.820 0.076 0.000 2.015 219 A HA -0.198 4.122 4.320 0.000 0.000 0.219 219 A C 1.926 179.499 177.584 -0.018 0.000 1.163 219 A CA 1.238 53.280 52.037 0.008 0.000 0.646 219 A CB -0.667 18.299 19.000 -0.055 0.000 0.806 219 A HN 0.689 nan 8.150 nan 0.000 0.448 220 H N -1.428 117.686 119.070 0.072 0.000 2.536 220 H HA 0.224 4.781 4.556 0.000 0.000 0.276 220 H C 1.572 177.089 175.328 0.316 0.000 1.019 220 H CA 0.622 56.794 56.048 0.208 0.000 1.159 220 H CB 0.201 30.159 29.762 0.326 0.000 1.373 220 H HN 0.649 nan 8.280 nan 0.000 0.584 221 G N 0.481 109.470 108.800 0.316 0.000 2.218 221 G HA2 -0.247 3.713 3.960 0.000 0.000 0.216 221 G HA3 -0.247 3.713 3.960 0.000 0.000 0.216 221 G C 0.596 175.690 174.900 0.323 0.000 0.994 221 G CA -0.083 45.196 45.100 0.298 0.000 0.637 221 G HN 0.590 nan 8.290 nan 0.000 0.505 222 A N 0.650 123.681 122.820 0.351 0.000 2.565 222 A HA 0.445 4.765 4.320 0.000 0.000 0.237 222 A C 0.965 178.695 177.584 0.243 0.000 1.053 222 A CA 1.073 53.295 52.037 0.310 0.000 0.755 222 A CB 0.178 19.378 19.000 0.332 0.000 0.980 222 A HN 0.297 nan 8.150 nan 0.000 0.506 223 D N 1.161 121.703 120.400 0.238 0.000 2.328 223 D HA 0.327 4.968 4.640 0.000 0.000 0.221 223 D C 0.815 177.235 176.300 0.199 0.000 1.072 223 D CA 1.418 55.538 54.000 0.201 0.000 0.850 223 D CB 0.319 41.236 40.800 0.196 0.000 0.922 223 D HN 0.895 nan 8.370 nan 0.000 0.516 224 G N 0.091 109.000 108.800 0.182 0.000 2.341 224 G HA2 0.296 4.256 3.960 0.000 0.000 0.293 224 G HA3 0.296 4.256 3.960 0.000 0.000 0.293 224 G C -1.985 172.981 174.900 0.110 0.000 1.298 224 G CA -0.921 44.275 45.100 0.160 0.000 0.868 224 G HN 0.054 nan 8.290 nan 0.000 0.540 225 L N -0.101 121.152 121.223 0.050 0.000 2.393 225 L HA 0.704 5.045 4.340 0.000 0.000 0.260 225 L C -0.087 176.764 176.870 -0.032 0.000 1.002 225 L CA -1.121 53.734 54.840 0.025 0.000 0.818 225 L CB 2.421 44.469 42.059 -0.018 0.000 1.369 225 L HN 0.594 nan 8.230 nan 0.000 0.412 226 R N 3.164 123.610 120.500 -0.090 0.000 2.239 226 R HA 0.479 4.819 4.340 0.000 0.000 0.332 226 R C -1.120 175.191 176.300 0.019 0.000 0.988 226 R CA -0.481 55.481 56.100 -0.230 0.000 0.859 226 R CB 0.493 30.299 30.300 -0.824 0.000 1.148 226 R HN 0.595 nan 8.270 nan 0.000 0.482 227 I N 3.772 124.407 120.570 0.109 0.000 2.379 227 I HA 0.041 4.211 4.170 0.000 0.000 0.290 227 I C 0.579 176.869 176.117 0.287 0.000 1.063 227 I CA -0.392 61.067 61.300 0.266 0.000 1.351 227 I CB 0.767 38.967 38.000 0.332 0.000 1.410 227 I HN 0.471 nan 8.210 nan 0.000 0.505 228 D N 5.646 126.236 120.400 0.317 0.000 2.372 228 D HA 0.325 4.965 4.640 0.000 0.000 0.243 228 D C 0.698 177.213 176.300 0.358 0.000 1.121 228 D CA 0.368 54.571 54.000 0.338 0.000 0.898 228 D CB 0.862 41.880 40.800 0.364 0.000 1.202 228 D HN 0.787 nan 8.370 nan 0.000 0.428 229 A N 2.432 125.442 122.820 0.316 0.000 2.560 229 A HA -0.172 4.148 4.320 0.000 0.000 0.299 229 A C 1.484 179.161 177.584 0.155 0.000 1.484 229 A CA 0.967 53.199 52.037 0.326 0.000 0.749 229 A CB -2.256 17.019 19.000 0.458 0.000 1.072 229 A HN 1.084 nan 8.150 nan 0.000 0.426 230 V N -1.177 118.689 119.914 -0.080 0.000 2.913 230 V HA -0.186 3.934 4.120 0.000 0.000 0.260 230 V C 2.020 177.522 176.094 -0.988 0.000 1.098 230 V CA 2.292 64.257 62.300 -0.559 0.000 1.121 230 V CB -0.714 30.907 31.823 -0.337 0.000 0.714 230 V HN 0.962 nan 8.190 nan 0.000 0.487 231 K N -0.932 118.776 120.400 -1.153 0.000 2.418 231 K HA -0.060 4.260 4.320 0.000 0.000 0.195 231 K C 1.549 177.554 176.600 -0.991 0.000 1.035 231 K CA 1.088 56.377 56.287 -1.664 0.000 1.003 231 K CB -0.358 30.904 32.500 -2.063 0.000 0.793 231 K HN 0.575 nan 8.250 nan 0.000 0.494 232 H N 0.196 119.045 119.070 -0.368 0.000 2.551 232 H HA 0.157 4.713 4.556 0.000 0.000 0.271 232 H C -0.319 174.984 175.328 -0.043 0.000 0.984 232 H CA 0.025 56.010 56.048 -0.105 0.000 1.164 232 H CB 0.073 29.926 29.762 0.152 0.000 1.437 232 H HN 0.275 nan 8.280 nan 0.000 0.550 233 F N -0.035 119.864 119.950 -0.084 0.000 2.613 233 F HA 0.321 4.848 4.527 0.000 0.000 0.314 233 F C -0.095 175.647 175.800 -0.098 0.000 1.075 233 F CA -2.030 55.891 58.000 -0.132 0.000 0.945 233 F CB 0.547 39.519 39.000 -0.048 0.000 1.310 233 F HN -0.163 nan 8.300 nan 0.000 0.467 234 N N 0.148 118.817 118.700 -0.051 0.000 2.353 234 N HA 0.072 4.812 4.740 0.000 0.000 0.248 234 N C 0.677 176.243 175.510 0.093 0.000 1.240 234 N CA 0.468 53.498 53.050 -0.033 0.000 0.862 234 N CB 1.042 39.440 38.487 -0.149 0.000 1.086 234 N HN 0.828 nan 8.380 nan 0.000 0.453 235 S N 0.552 116.365 115.700 0.189 0.000 2.522 235 S HA 0.045 4.515 4.470 0.000 0.000 0.227 235 S C 1.800 176.539 174.600 0.233 0.000 0.986 235 S CA 0.173 58.562 58.200 0.315 0.000 0.929 235 S CB -0.661 62.869 63.200 0.550 0.000 0.769 235 S HN 0.752 nan 8.310 nan 0.000 0.529 236 G N 1.225 110.093 108.800 0.113 0.000 2.418 236 G HA2 -0.147 3.813 3.960 0.000 0.000 0.217 236 G HA3 -0.147 3.813 3.960 0.000 0.000 0.217 236 G C 1.094 176.121 174.900 0.212 0.000 1.158 236 G CA 0.713 45.894 45.100 0.135 0.000 0.771 236 G HN 0.517 nan 8.290 nan 0.000 0.545 237 F N 2.009 122.041 119.950 0.137 0.000 2.186 237 F HA -0.007 4.520 4.527 0.000 0.000 0.299 237 F C 2.860 178.805 175.800 0.242 0.000 1.090 237 F CA 1.443 59.550 58.000 0.179 0.000 1.307 237 F CB -0.288 38.831 39.000 0.198 0.000 1.019 237 F HN 0.140 nan 8.300 nan 0.000 0.489 238 S N 0.257 116.116 115.700 0.264 0.000 2.353 238 S HA -0.275 4.195 4.470 0.000 0.000 0.222 238 S C 2.105 176.672 174.600 -0.055 0.000 1.035 238 S CA 1.753 60.047 58.200 0.157 0.000 1.025 238 S CB -0.419 62.981 63.200 0.332 0.000 0.902 238 S HN 0.432 nan 8.310 nan 0.000 0.440 239 K N 0.616 121.000 120.400 -0.027 0.000 2.097 239 K HA -0.029 4.291 4.320 0.000 0.000 0.205 239 K C 2.380 178.934 176.600 -0.076 0.000 1.050 239 K CA 1.426 57.679 56.287 -0.057 0.000 0.938 239 K CB -0.309 32.190 32.500 -0.002 0.000 0.718 239 K HN 0.251 nan 8.250 nan 0.000 0.442 240 S N 0.454 116.110 115.700 -0.073 0.000 2.387 240 S HA -0.098 4.372 4.470 0.000 0.000 0.226 240 S C 1.854 176.333 174.600 -0.202 0.000 1.026 240 S CA 0.849 59.003 58.200 -0.077 0.000 0.972 240 S CB -0.243 62.972 63.200 0.024 0.000 0.814 240 S HN 0.378 nan 8.310 nan 0.000 0.477 241 L N 1.993 122.959 121.223 -0.427 0.000 2.046 241 L HA 0.143 4.483 4.340 0.000 0.000 0.208 241 L C 2.471 179.124 176.870 -0.361 0.000 1.077 241 L CA 2.119 56.664 54.840 -0.490 0.000 0.747 241 L CB -1.215 40.375 42.059 -0.782 0.000 0.896 241 L HN 0.302 nan 8.230 nan 0.000 0.432 242 A N -0.522 122.089 122.820 -0.348 0.000 1.908 242 A HA -0.308 4.012 4.320 0.000 0.000 0.218 242 A C 2.045 179.338 177.584 -0.484 0.000 1.181 242 A CA 1.933 53.667 52.037 -0.505 0.000 0.627 242 A CB -1.149 17.639 19.000 -0.353 0.000 0.818 242 A HN 0.644 nan 8.150 nan 0.000 0.445 243 D N -0.318 119.967 120.400 -0.192 0.000 2.106 243 D HA -0.218 4.422 4.640 0.000 0.000 0.191 243 D C 1.812 178.072 176.300 -0.067 0.000 0.997 243 D CA 1.900 55.872 54.000 -0.048 0.000 0.834 243 D CB -0.050 40.744 40.800 -0.010 0.000 0.956 243 D HN 0.215 nan 8.370 nan 0.000 0.448 244 K N 0.001 120.333 120.400 -0.113 0.000 2.103 244 K HA -0.082 4.238 4.320 0.000 0.000 0.207 244 K C 2.417 178.952 176.600 -0.108 0.000 1.048 244 K CA 0.688 56.923 56.287 -0.088 0.000 0.930 244 K CB -0.687 31.754 32.500 -0.097 0.000 0.716 244 K HN 0.370 nan 8.250 nan 0.000 0.444 245 L N -0.447 120.644 121.223 -0.221 0.000 2.109 245 L HA -0.135 4.205 4.340 0.000 0.000 0.207 245 L C 2.209 179.020 176.870 -0.097 0.000 1.086 245 L CA 0.945 55.653 54.840 -0.220 0.000 0.760 245 L CB -0.470 41.375 42.059 -0.357 0.000 0.910 245 L HN 0.057 nan 8.230 nan 0.000 0.437 246 Y N 0.198 120.487 120.300 -0.019 0.000 2.439 246 Y HA -0.143 4.407 4.550 0.000 0.000 0.292 246 Y C 2.615 178.531 175.900 0.026 0.000 1.130 246 Y CA 0.355 58.461 58.100 0.010 0.000 1.254 246 Y CB -0.711 37.761 38.460 0.021 0.000 1.000 246 Y HN 0.261 nan 8.280 nan 0.000 0.554 247 Q N 0.010 119.897 119.800 0.145 0.000 2.167 247 Q HA -0.181 4.160 4.340 0.000 0.000 0.202 247 Q C 2.184 178.229 176.000 0.076 0.000 0.970 247 Q CA 1.199 57.060 55.803 0.098 0.000 0.855 247 Q CB -0.045 28.727 28.738 0.057 0.000 0.911 247 Q HN 0.413 nan 8.270 nan 0.000 0.438 248 K N 0.514 120.948 120.400 0.057 0.000 2.076 248 K HA -0.037 4.283 4.320 0.000 0.000 0.204 248 K C 0.464 177.102 176.600 0.063 0.000 1.051 248 K CA 0.761 57.073 56.287 0.042 0.000 0.949 248 K CB 0.409 32.917 32.500 0.012 0.000 0.726 248 K HN -0.139 nan 8.250 nan 0.000 0.443 249 K N 0.559 121.015 120.400 0.093 0.000 2.610 249 K HA 0.009 4.329 4.320 0.000 0.000 0.278 249 K C -1.978 174.710 176.600 0.147 0.000 0.964 249 K CA -0.496 55.848 56.287 0.096 0.000 0.859 249 K CB 1.202 33.747 32.500 0.076 0.000 1.434 249 K HN -0.010 nan 8.250 nan 0.000 0.410 250 D N 4.027 124.488 120.400 0.103 0.000 2.671 250 D HA 0.123 4.763 4.640 0.000 0.000 0.228 250 D C 0.535 176.915 176.300 0.134 0.000 1.102 250 D CA -0.282 53.775 54.000 0.095 0.000 1.044 250 D CB -0.870 39.935 40.800 0.009 0.000 1.113 250 D HN 0.406 nan 8.370 nan 0.000 0.480 251 I N -2.470 118.236 120.570 0.228 0.000 3.244 251 I HA 0.551 4.721 4.170 0.000 0.000 0.314 251 I C -0.245 176.070 176.117 0.331 0.000 1.043 251 I CA -1.515 59.925 61.300 0.235 0.000 1.099 251 I CB 0.225 38.333 38.000 0.180 0.000 1.449 251 I HN -0.033 nan 8.210 nan 0.000 0.625 252 F N 2.685 122.720 119.950 0.143 0.000 2.436 252 F HA 0.741 5.268 4.527 0.000 0.000 0.340 252 F C -1.154 174.726 175.800 0.133 0.000 1.113 252 F CA -0.841 57.239 58.000 0.134 0.000 1.022 252 F CB 0.959 40.004 39.000 0.075 0.000 1.128 252 F HN 0.318 nan 8.300 nan 0.000 0.466 253 L N 7.214 128.049 121.223 -0.647 0.000 2.365 253 L HA 0.727 5.067 4.340 0.000 0.000 0.273 253 L C -1.124 175.309 176.870 -0.729 0.000 1.000 253 L CA -1.170 53.377 54.840 -0.489 0.000 0.819 253 L CB 1.901 43.831 42.059 -0.214 0.000 1.284 253 L HN 0.480 nan 8.230 nan 0.000 0.418 254 V N 1.857 121.541 119.914 -0.384 0.000 2.709 254 V HA 0.872 4.992 4.120 0.000 0.000 0.308 254 V C -0.288 175.807 176.094 0.001 0.000 1.062 254 V CA -0.108 62.092 62.300 -0.167 0.000 0.901 254 V CB 2.143 33.949 31.823 -0.029 0.000 1.003 254 V HN 0.779 nan 8.190 nan 0.000 0.425 255 G N 3.342 112.229 108.800 0.145 0.000 2.416 255 G HA2 0.506 4.466 3.960 0.000 0.000 0.329 255 G HA3 0.506 4.466 3.960 0.000 0.000 0.329 255 G C -0.794 174.244 174.900 0.230 0.000 1.173 255 G CA -0.439 44.792 45.100 0.218 0.000 0.929 255 G HN 0.791 nan 8.290 nan 0.000 0.475 256 E N 2.167 122.504 120.200 0.228 0.000 1.941 256 E HA 0.032 4.382 4.350 0.000 0.000 0.275 256 E C -0.956 175.797 176.600 0.255 0.000 1.113 256 E CA -0.743 55.848 56.400 0.318 0.000 0.878 256 E CB 0.508 30.420 29.700 0.352 0.000 1.070 256 E HN 0.507 nan 8.360 nan 0.000 0.399 257 W N 7.467 128.810 121.300 0.071 0.000 2.316 257 W HA 0.123 4.783 4.660 0.000 0.000 0.339 257 W C -1.276 175.119 176.519 -0.206 0.000 1.002 257 W CA -1.017 56.273 57.345 -0.092 0.000 1.465 257 W CB -0.081 29.282 29.460 -0.161 0.000 1.300 257 W HN 0.510 nan 8.180 nan 0.000 0.378 258 Y N 5.982 126.123 120.300 -0.266 0.000 2.526 258 Y HA 0.319 4.869 4.550 0.000 0.000 0.330 258 Y C 1.168 176.799 175.900 -0.448 0.000 1.156 258 Y CA 2.397 60.080 58.100 -0.695 0.000 1.419 258 Y CB 0.539 38.790 38.460 -0.349 0.000 1.250 258 Y HN 0.810 nan 8.280 nan 0.000 0.540 259 G N 4.475 112.558 108.800 -1.195 0.000 2.574 259 G HA2 -0.338 3.622 3.960 0.000 0.000 0.286 259 G HA3 -0.338 3.622 3.960 0.000 0.000 0.286 259 G C -0.202 174.748 174.900 0.084 0.000 1.212 259 G CA 0.085 45.005 45.100 -0.299 0.000 0.979 259 G HN 0.996 nan 8.290 nan 0.000 0.557 260 D N 0.896 121.407 120.400 0.186 0.000 2.737 260 D HA -0.089 4.551 4.640 0.000 0.000 0.238 260 D C 0.236 176.711 176.300 0.292 0.000 1.157 260 D CA 1.760 55.906 54.000 0.242 0.000 0.694 260 D CB -1.096 39.892 40.800 0.313 0.000 1.021 260 D HN 0.599 nan 8.370 nan 0.000 0.420 261 D N -0.025 120.486 120.400 0.184 0.000 2.384 261 D HA 0.247 4.887 4.640 0.000 0.000 0.244 261 D C -2.053 174.132 176.300 -0.192 0.000 1.251 261 D CA -1.110 52.948 54.000 0.098 0.000 0.961 261 D CB 0.141 40.972 40.800 0.052 0.000 1.116 261 D HN 0.050 nan 8.370 nan 0.000 0.484 262 P HA 0.129 nan 4.420 nan 0.000 0.266 262 P C 0.731 177.835 177.300 -0.326 0.000 1.195 262 P CA 0.664 63.268 63.100 -0.826 0.000 0.768 262 P CB 0.568 31.985 31.700 -0.473 0.000 0.838 263 G N 1.163 109.821 108.800 -0.236 0.000 2.195 263 G HA2 -0.217 3.743 3.960 0.000 0.000 0.246 263 G HA3 -0.217 3.743 3.960 0.000 0.000 0.246 263 G C 0.350 175.240 174.900 -0.017 0.000 0.984 263 G CA 0.377 45.428 45.100 -0.082 0.000 0.633 263 G HN 0.821 nan 8.290 nan 0.000 0.525 264 T N -1.898 112.662 114.554 0.009 0.000 2.902 264 T HA 0.758 5.108 4.350 0.000 0.000 0.280 264 T C 1.675 176.434 174.700 0.099 0.000 0.992 264 T CA 0.444 62.583 62.100 0.065 0.000 1.015 264 T CB 1.796 70.719 68.868 0.092 0.000 1.044 264 T HN 1.367 nan 8.240 nan 0.000 0.520 265 A N 1.572 124.446 122.820 0.091 0.000 1.978 265 A HA -0.070 4.250 4.320 0.000 0.000 0.220 265 A C 1.935 179.583 177.584 0.107 0.000 1.170 265 A CA 1.139 53.230 52.037 0.089 0.000 0.636 265 A CB -0.693 18.354 19.000 0.078 0.000 0.810 265 A HN 0.825 nan 8.150 nan 0.000 0.448 266 N N -1.634 117.147 118.700 0.136 0.000 2.235 266 N HA 0.052 4.792 4.740 0.000 0.000 0.209 266 N C 0.978 176.544 175.510 0.092 0.000 1.122 266 N CA 0.410 53.546 53.050 0.143 0.000 0.845 266 N CB -0.144 38.476 38.487 0.222 0.000 1.004 266 N HN 0.730 nan 8.380 nan 0.000 0.499 267 H N 1.241 120.316 119.070 0.008 0.000 2.321 267 H HA -0.037 4.519 4.556 0.000 0.000 0.300 267 H C 1.915 177.170 175.328 -0.122 0.000 1.087 267 H CA 1.381 57.398 56.048 -0.053 0.000 1.319 267 H CB -0.018 29.734 29.762 -0.017 0.000 1.379 267 H HN 0.089 nan 8.280 nan 0.000 0.501 268 L N 0.860 122.011 121.223 -0.119 0.000 2.131 268 L HA -0.112 4.229 4.340 0.000 0.000 0.210 268 L C 2.296 179.032 176.870 -0.223 0.000 1.092 268 L CA 2.181 56.912 54.840 -0.181 0.000 0.759 268 L CB -0.790 41.247 42.059 -0.037 0.000 0.903 268 L HN 0.508 nan 8.230 nan 0.000 0.435 269 E N -0.355 119.739 120.200 -0.177 0.000 2.077 269 E HA -0.313 4.037 4.350 0.000 0.000 0.193 269 E C 2.254 178.549 176.600 -0.508 0.000 0.989 269 E CA 1.473 57.764 56.400 -0.182 0.000 0.800 269 E CB -0.146 29.546 29.700 -0.013 0.000 0.746 269 E HN 0.571 nan 8.360 nan 0.000 0.452 270 K N 0.164 120.017 120.400 -0.911 0.000 2.057 270 K HA -0.127 4.193 4.320 0.000 0.000 0.207 270 K C 2.034 178.281 176.600 -0.588 0.000 1.049 270 K CA 1.376 56.847 56.287 -1.359 0.000 0.931 270 K CB 0.033 31.666 32.500 -1.444 0.000 0.714 270 K HN 0.044 nan 8.250 nan 0.000 0.440 271 V N 1.375 120.964 119.914 -0.541 0.000 2.343 271 V HA -0.227 3.893 4.120 0.000 0.000 0.247 271 V C 2.397 178.357 176.094 -0.224 0.000 1.051 271 V CA 1.908 63.937 62.300 -0.452 0.000 1.036 271 V CB -0.519 30.934 31.823 -0.617 0.000 0.654 271 V HN 0.351 nan 8.190 nan 0.000 0.451 272 R N -1.245 119.148 120.500 -0.179 0.000 2.081 272 R HA -0.204 4.136 4.340 0.000 0.000 0.235 272 R C 2.325 178.639 176.300 0.024 0.000 1.131 272 R CA 2.073 58.139 56.100 -0.058 0.000 0.960 272 R CB -0.552 29.740 30.300 -0.012 0.000 0.856 272 R HN 0.642 nan 8.270 nan 0.000 0.436 273 Y N 1.058 121.290 120.300 -0.112 0.000 2.128 273 Y HA -0.259 4.291 4.550 0.000 0.000 0.284 273 Y C 2.242 178.172 175.900 0.050 0.000 1.154 273 Y CA 1.509 59.606 58.100 -0.004 0.000 1.149 273 Y CB -0.438 38.005 38.460 -0.030 0.000 0.976 273 Y HN 0.064 nan 8.280 nan 0.000 0.505 274 A N 0.426 123.409 122.820 0.271 0.000 1.933 274 A HA -0.217 4.103 4.320 0.000 0.000 0.218 274 A C 1.914 179.609 177.584 0.185 0.000 1.175 274 A CA 1.976 54.181 52.037 0.279 0.000 0.628 274 A CB -0.699 18.563 19.000 0.436 0.000 0.814 274 A HN 0.600 nan 8.150 nan 0.000 0.444 275 N N -0.260 118.504 118.700 0.107 0.000 2.446 275 N HA -0.005 4.735 4.740 0.000 0.000 0.179 275 N C 0.976 176.527 175.510 0.069 0.000 1.054 275 N CA 0.761 53.858 53.050 0.078 0.000 0.905 275 N CB -0.105 38.367 38.487 -0.026 0.000 0.973 275 N HN 0.553 nan 8.380 nan 0.000 0.448 276 N N -1.110 117.601 118.700 0.018 0.000 2.266 276 N HA 0.014 4.754 4.740 0.000 0.000 0.217 276 N C 1.180 176.659 175.510 -0.052 0.000 1.211 276 N CA 0.265 53.315 53.050 0.001 0.000 0.881 276 N CB 0.437 38.931 38.487 0.011 0.000 1.153 276 N HN 0.127 nan 8.380 nan 0.000 0.489 277 S N 0.122 115.714 115.700 -0.181 0.000 2.481 277 S HA 0.086 4.556 4.470 0.000 0.000 0.231 277 S C 1.543 176.050 174.600 -0.155 0.000 0.996 277 S CA 1.222 59.256 58.200 -0.277 0.000 0.942 277 S CB -0.062 62.642 63.200 -0.827 0.000 0.768 277 S HN 0.374 nan 8.310 nan 0.000 0.520 278 G N -0.147 108.607 108.800 -0.075 0.000 2.159 278 G HA2 -0.213 3.747 3.960 0.000 0.000 0.256 278 G HA3 -0.213 3.747 3.960 0.000 0.000 0.256 278 G C -0.032 174.896 174.900 0.047 0.000 0.977 278 G CA 0.088 45.210 45.100 0.036 0.000 0.652 278 G HN 0.871 nan 8.290 nan 0.000 0.531 279 V N 1.831 121.703 119.914 -0.070 0.000 2.444 279 V HA 0.452 4.572 4.120 0.000 0.000 0.294 279 V C 0.242 176.370 176.094 0.057 0.000 1.022 279 V CA -1.415 60.869 62.300 -0.026 0.000 0.850 279 V CB 1.584 33.419 31.823 0.021 0.000 0.992 279 V HN 0.314 nan 8.190 nan 0.000 0.426 280 N N 2.266 120.975 118.700 0.015 0.000 2.347 280 N HA 0.541 5.281 4.740 0.000 0.000 0.253 280 N C -0.298 175.331 175.510 0.198 0.000 1.274 280 N CA -0.175 52.943 53.050 0.113 0.000 0.941 280 N CB 1.966 40.502 38.487 0.081 0.000 1.200 280 N HN 0.613 nan 8.380 nan 0.000 0.514 281 V N -2.312 117.730 119.914 0.213 0.000 3.001 281 V HA 0.535 4.655 4.120 0.000 0.000 0.314 281 V C -0.120 176.101 176.094 0.213 0.000 1.099 281 V CA -1.095 61.352 62.300 0.246 0.000 0.989 281 V CB 1.365 33.358 31.823 0.283 0.000 1.040 281 V HN 0.404 nan 8.190 nan 0.000 0.434 282 L N 1.872 123.267 121.223 0.286 0.000 2.426 282 L HA 0.343 4.683 4.340 0.000 0.000 0.271 282 L C 0.408 177.498 176.870 0.367 0.000 1.169 282 L CA 0.131 55.160 54.840 0.315 0.000 0.836 282 L CB 0.421 42.651 42.059 0.284 0.000 1.112 282 L HN 0.782 nan 8.230 nan 0.000 0.465 283 D N 2.326 122.903 120.400 0.294 0.000 2.558 283 D HA 0.070 4.710 4.640 0.000 0.000 0.221 283 D C 0.790 177.060 176.300 -0.051 0.000 1.143 283 D CA 0.078 54.127 54.000 0.082 0.000 1.010 283 D CB 0.177 40.958 40.800 -0.032 0.000 1.068 283 D HN 0.267 nan 8.370 nan 0.000 0.511 284 F N 0.685 120.719 119.950 0.139 0.000 2.234 284 F HA -0.106 4.421 4.527 0.000 0.000 0.299 284 F C 2.014 177.809 175.800 -0.008 0.000 1.087 284 F CA 0.626 58.662 58.000 0.061 0.000 1.340 284 F CB 0.148 39.191 39.000 0.072 0.000 1.031 284 F HN 0.206 nan 8.300 nan 0.000 0.500 285 D N 0.163 120.690 120.400 0.212 0.000 2.092 285 D HA -0.197 4.443 4.640 0.000 0.000 0.193 285 D C 2.244 178.576 176.300 0.054 0.000 0.994 285 D CA 1.238 55.329 54.000 0.152 0.000 0.828 285 D CB -0.703 40.232 40.800 0.224 0.000 0.963 285 D HN 0.177 nan 8.370 nan 0.000 0.450 286 L N 1.218 122.445 121.223 0.006 0.000 2.156 286 L HA -0.039 4.301 4.340 0.000 0.000 0.208 286 L C 1.740 178.558 176.870 -0.087 0.000 1.095 286 L CA 1.229 56.064 54.840 -0.009 0.000 0.770 286 L CB -0.635 41.433 42.059 0.015 0.000 0.914 286 L HN 0.019 nan 8.230 nan 0.000 0.439 287 N N -1.154 117.382 118.700 -0.273 0.000 2.104 287 N HA -0.228 4.512 4.740 0.000 0.000 0.190 287 N C 1.483 176.911 175.510 -0.137 0.000 1.024 287 N CA 2.101 54.910 53.050 -0.401 0.000 0.853 287 N CB 0.027 37.956 38.487 -0.931 0.000 1.008 287 N HN 0.384 nan 8.380 nan 0.000 0.424 288 T N 0.771 115.294 114.554 -0.053 0.000 2.720 288 T HA -0.086 4.264 4.350 0.000 0.000 0.268 288 T C 2.034 176.732 174.700 -0.003 0.000 1.037 288 T CA 1.461 63.566 62.100 0.009 0.000 1.144 288 T CB -0.237 68.655 68.868 0.039 0.000 0.864 288 T HN 0.103 nan 8.240 nan 0.000 0.444 289 V N 1.036 120.937 119.914 -0.021 0.000 2.453 289 V HA -0.042 4.078 4.120 0.000 0.000 0.247 289 V C 2.371 178.429 176.094 -0.060 0.000 1.048 289 V CA 1.040 63.309 62.300 -0.052 0.000 1.049 289 V CB -0.642 31.143 31.823 -0.064 0.000 0.672 289 V HN 0.465 nan 8.190 nan 0.000 0.457 290 I N 0.009 120.580 120.570 0.003 0.000 2.151 290 I HA -0.304 3.866 4.170 0.000 0.000 0.243 290 I C 2.810 179.052 176.117 0.208 0.000 1.080 290 I CA 1.823 63.200 61.300 0.128 0.000 1.339 290 I CB -0.385 37.719 38.000 0.174 0.000 1.039 290 I HN 0.228 nan 8.210 nan 0.000 0.409 291 R N 0.391 120.979 120.500 0.147 0.000 2.115 291 R HA -0.103 4.237 4.340 0.000 0.000 0.230 291 R C 1.928 178.281 176.300 0.088 0.000 1.111 291 R CA 1.181 57.384 56.100 0.171 0.000 0.976 291 R CB -0.292 30.077 30.300 0.114 0.000 0.870 291 R HN 0.409 nan 8.270 nan 0.000 0.445 292 N N -0.152 118.556 118.700 0.015 0.000 2.409 292 N HA -0.055 4.685 4.740 0.000 0.000 0.179 292 N C 1.610 177.045 175.510 -0.125 0.000 1.032 292 N CA 0.718 53.750 53.050 -0.029 0.000 0.898 292 N CB 0.270 38.731 38.487 -0.042 0.000 0.971 292 N HN 0.028 nan 8.380 nan 0.000 0.441 293 V N -0.192 119.580 119.914 -0.237 0.000 2.426 293 V HA -0.001 4.119 4.120 0.000 0.000 0.242 293 V C 1.397 177.026 176.094 -0.775 0.000 1.036 293 V CA 1.166 63.119 62.300 -0.579 0.000 1.044 293 V CB -0.347 31.014 31.823 -0.771 0.000 0.688 293 V HN 0.055 nan 8.190 nan 0.000 0.462 294 F N 0.505 120.378 119.950 -0.128 0.000 2.619 294 F HA 0.327 4.854 4.527 0.000 0.000 0.293 294 F C 2.033 178.076 175.800 0.406 0.000 1.119 294 F CA 0.835 58.892 58.000 0.095 0.000 1.445 294 F CB -0.611 38.523 39.000 0.223 0.000 1.119 294 F HN 0.158 nan 8.300 nan 0.000 0.573 295 G N -0.270 108.762 108.800 0.385 0.000 2.724 295 G HA2 -0.067 3.893 3.960 0.000 0.000 0.217 295 G HA3 -0.067 3.893 3.960 0.000 0.000 0.217 295 G C 1.616 176.605 174.900 0.149 0.000 1.251 295 G CA 0.856 45.989 45.100 0.055 0.000 0.867 295 G HN 0.272 nan 8.290 nan 0.000 0.590 296 T N -2.882 111.742 114.554 0.116 0.000 3.067 296 T HA 0.136 4.486 4.350 0.000 0.000 0.261 296 T C 1.020 175.877 174.700 0.262 0.000 1.110 296 T CA 0.424 62.596 62.100 0.121 0.000 1.113 296 T CB -0.298 68.600 68.868 0.049 0.000 0.917 296 T HN 0.330 nan 8.240 nan 0.000 0.499 297 F N 2.072 122.003 119.950 -0.031 0.000 3.091 297 F HA -0.232 4.295 4.527 0.000 0.000 0.288 297 F C 1.420 177.198 175.800 -0.037 0.000 0.907 297 F CA 0.751 58.728 58.000 -0.037 0.000 1.028 297 F CB -2.503 36.488 39.000 -0.015 0.000 1.022 297 F HN 0.512 nan 8.300 nan 0.000 0.665 298 T N -4.263 110.331 114.554 0.067 0.000 3.044 298 T HA 0.236 4.586 4.350 0.000 0.000 0.250 298 T C 0.692 175.378 174.700 -0.023 0.000 1.081 298 T CA 0.420 62.536 62.100 0.027 0.000 1.040 298 T CB 0.508 69.387 68.868 0.018 0.000 0.962 298 T HN 0.435 nan 8.240 nan 0.000 0.506 299 Q N 1.054 120.806 119.800 -0.081 0.000 2.445 299 Q HA 0.592 4.932 4.340 0.000 0.000 0.281 299 Q C -0.481 175.404 176.000 -0.191 0.000 1.101 299 Q CA -0.919 54.815 55.803 -0.116 0.000 0.833 299 Q CB 2.293 30.956 28.738 -0.126 0.000 1.416 299 Q HN 0.450 nan 8.270 nan 0.000 0.451 300 T N -3.089 111.359 114.554 -0.177 0.000 2.841 300 T HA 0.339 4.689 4.350 0.000 0.000 0.276 300 T C 0.963 175.464 174.700 -0.332 0.000 1.003 300 T CA -0.762 61.201 62.100 -0.228 0.000 0.995 300 T CB 0.625 69.452 68.868 -0.068 0.000 1.260 300 T HN 0.406 nan 8.240 nan 0.000 0.581 301 M N -0.431 118.922 119.600 -0.412 0.000 2.279 301 M HA 0.039 4.519 4.480 0.000 0.000 0.264 301 M C 1.838 177.791 176.300 -0.577 0.000 1.062 301 M CA 1.393 56.359 55.300 -0.556 0.000 1.099 301 M CB -1.499 30.787 32.600 -0.523 0.000 1.394 301 M HN 0.715 nan 8.290 nan 0.000 0.426 302 Y N 1.078 121.200 120.300 -0.297 0.000 2.224 302 Y HA -0.213 4.337 4.550 0.000 0.000 0.289 302 Y C 2.307 178.063 175.900 -0.240 0.000 1.146 302 Y CA 1.237 59.188 58.100 -0.248 0.000 1.182 302 Y CB -0.725 37.633 38.460 -0.170 0.000 0.983 302 Y HN 0.334 nan 8.280 nan 0.000 0.524 303 D N -0.348 120.002 120.400 -0.084 0.000 2.144 303 D HA -0.138 4.502 4.640 0.000 0.000 0.200 303 D C 2.155 178.354 176.300 -0.168 0.000 0.978 303 D CA 0.912 54.846 54.000 -0.109 0.000 0.833 303 D CB -0.299 40.434 40.800 -0.111 0.000 0.961 303 D HN 0.262 nan 8.370 nan 0.000 0.470 304 L N 1.576 122.625 121.223 -0.291 0.000 2.027 304 L HA -0.141 4.199 4.340 0.000 0.000 0.206 304 L C 1.876 178.592 176.870 -0.258 0.000 1.074 304 L CA 1.635 56.285 54.840 -0.318 0.000 0.745 304 L CB -0.803 40.948 42.059 -0.514 0.000 0.898 304 L HN -0.117 nan 8.230 nan 0.000 0.433 305 N N -0.543 117.882 118.700 -0.458 0.000 2.166 305 N HA -0.214 4.527 4.740 0.000 0.000 0.186 305 N C 1.606 177.081 175.510 -0.058 0.000 1.019 305 N CA 1.500 54.390 53.050 -0.267 0.000 0.856 305 N CB -0.172 38.097 38.487 -0.363 0.000 0.993 305 N HN 0.350 nan 8.380 nan 0.000 0.426 306 N N -0.055 118.606 118.700 -0.065 0.000 2.120 306 N HA -0.154 4.586 4.740 0.000 0.000 0.188 306 N C 1.478 176.989 175.510 0.002 0.000 1.024 306 N CA 0.931 53.971 53.050 -0.017 0.000 0.852 306 N CB -0.362 38.110 38.487 -0.024 0.000 1.003 306 N HN 0.355 nan 8.380 nan 0.000 0.424 307 M N 0.445 120.041 119.600 -0.007 0.000 2.254 307 M HA 0.027 4.507 4.480 0.000 0.000 0.265 307 M C 1.693 178.036 176.300 0.072 0.000 1.066 307 M CA 0.834 56.152 55.300 0.029 0.000 1.123 307 M CB -0.288 32.322 32.600 0.018 0.000 1.388 307 M HN -0.139 nan 8.290 nan 0.000 0.425 308 V N 1.036 121.004 119.914 0.088 0.000 2.295 308 V HA -0.295 3.825 4.120 0.000 0.000 0.246 308 V C 2.181 178.331 176.094 0.094 0.000 1.049 308 V CA 1.962 64.329 62.300 0.112 0.000 1.024 308 V CB -1.056 30.860 31.823 0.154 0.000 0.648 308 V HN 0.478 nan 8.190 nan 0.000 0.447 309 N N -0.178 118.570 118.700 0.080 0.000 2.142 309 N HA -0.192 4.549 4.740 0.000 0.000 0.186 309 N C 1.899 177.448 175.510 0.065 0.000 1.023 309 N CA 1.580 54.671 53.050 0.068 0.000 0.852 309 N CB -0.337 38.182 38.487 0.053 0.000 0.998 309 N HN 0.633 nan 8.380 nan 0.000 0.424 310 Q N 0.371 120.209 119.800 0.062 0.000 2.046 310 Q HA -0.114 4.227 4.340 0.000 0.000 0.200 310 Q C 1.794 177.863 176.000 0.116 0.000 0.975 310 Q CA 2.139 57.980 55.803 0.063 0.000 0.836 310 Q CB -0.089 28.674 28.738 0.040 0.000 0.896 310 Q HN 0.539 nan 8.270 nan 0.000 0.428 311 T N -2.768 111.889 114.554 0.173 0.000 2.788 311 T HA -0.061 4.289 4.350 0.000 0.000 0.268 311 T C 1.832 176.702 174.700 0.282 0.000 1.044 311 T CA 1.072 63.365 62.100 0.322 0.000 1.139 311 T CB -0.825 68.209 68.868 0.276 0.000 0.867 311 T HN 0.412 nan 8.240 nan 0.000 0.454 312 G N 1.719 110.615 108.800 0.160 0.000 2.432 312 G HA2 -0.200 3.760 3.960 0.000 0.000 0.219 312 G HA3 -0.200 3.760 3.960 0.000 0.000 0.219 312 G C 1.687 176.635 174.900 0.081 0.000 1.135 312 G CA 0.585 45.755 45.100 0.117 0.000 0.767 312 G HN 0.490 nan 8.290 nan 0.000 0.550 313 N N 0.333 119.069 118.700 0.060 0.000 2.416 313 N HA 0.029 4.769 4.740 0.000 0.000 0.177 313 N C 2.010 177.506 175.510 -0.023 0.000 1.036 313 N CA 0.641 53.699 53.050 0.014 0.000 0.901 313 N CB 0.087 38.579 38.487 0.009 0.000 0.976 313 N HN 0.526 nan 8.380 nan 0.000 0.444 314 E N -0.739 119.441 120.200 -0.033 0.000 2.127 314 E HA 0.025 4.375 4.350 0.000 0.000 0.191 314 E C -0.295 176.120 176.600 -0.309 0.000 0.964 314 E CA 0.293 56.570 56.400 -0.204 0.000 0.832 314 E CB 0.134 29.641 29.700 -0.321 0.000 0.790 314 E HN 0.263 nan 8.360 nan 0.000 0.465 315 Y N 1.739 122.035 120.300 -0.006 0.000 2.365 315 Y HA 0.094 4.644 4.550 0.000 0.000 0.340 315 Y C 1.310 177.165 175.900 -0.075 0.000 1.016 315 Y CA -0.105 57.987 58.100 -0.015 0.000 1.196 315 Y CB 0.953 39.439 38.460 0.044 0.000 1.167 315 Y HN -0.147 nan 8.280 nan 0.000 0.509 316 K N 2.338 122.694 120.400 -0.073 0.000 2.097 316 K HA -0.143 4.177 4.320 0.000 0.000 0.206 316 K C -0.465 175.876 176.600 -0.432 0.000 1.049 316 K CA 1.434 57.513 56.287 -0.347 0.000 0.933 316 K CB 0.033 32.173 32.500 -0.599 0.000 0.717 316 K HN 0.663 nan 8.250 nan 0.000 0.442 317 Y N 1.718 122.090 120.300 0.122 0.000 2.806 317 Y HA 0.176 4.726 4.550 0.000 0.000 0.364 317 Y C 0.620 176.614 175.900 0.156 0.000 1.101 317 Y CA -0.886 57.294 58.100 0.134 0.000 1.256 317 Y CB 0.678 39.233 38.460 0.157 0.000 1.363 317 Y HN 0.004 nan 8.280 nan 0.000 0.592 318 K N -0.670 119.862 120.400 0.220 0.000 2.283 318 K HA -0.152 4.168 4.320 0.000 0.000 0.202 318 K C 0.244 176.928 176.600 0.140 0.000 1.048 318 K CA 1.443 57.831 56.287 0.168 0.000 0.948 318 K CB 0.159 32.747 32.500 0.146 0.000 0.742 318 K HN 0.385 nan 8.250 nan 0.000 0.458 319 E N 1.032 121.345 120.200 0.187 0.000 2.511 319 E HA -0.011 4.339 4.350 0.000 0.000 0.196 319 E C 0.728 177.427 176.600 0.166 0.000 1.066 319 E CA 0.382 56.878 56.400 0.160 0.000 0.871 319 E CB 0.001 29.826 29.700 0.209 0.000 0.863 319 E HN 0.370 nan 8.360 nan 0.000 0.520 320 N N -0.224 118.610 118.700 0.224 0.000 2.280 320 N HA 0.084 4.824 4.740 0.000 0.000 0.192 320 N C -0.157 175.497 175.510 0.241 0.000 1.109 320 N CA 0.026 53.239 53.050 0.272 0.000 0.855 320 N CB 0.351 39.041 38.487 0.337 0.000 0.974 320 N HN 0.170 nan 8.380 nan 0.000 0.482 321 L N 1.484 122.786 121.223 0.132 0.000 2.490 321 L HA 0.075 4.416 4.340 0.000 0.000 0.274 321 L C 0.084 177.021 176.870 0.113 0.000 1.201 321 L CA 0.191 55.071 54.840 0.065 0.000 0.869 321 L CB 0.544 42.565 42.059 -0.065 0.000 1.123 321 L HN -0.080 nan 8.230 nan 0.000 0.484 322 I N 2.686 123.355 120.570 0.164 0.000 2.307 322 I HA 0.188 4.358 4.170 0.000 0.000 0.289 322 I C 0.605 176.878 176.117 0.260 0.000 1.021 322 I CA -0.232 61.190 61.300 0.204 0.000 1.224 322 I CB 0.937 39.081 38.000 0.240 0.000 1.376 322 I HN 0.577 nan 8.210 nan 0.000 0.470 323 T N 4.098 118.764 114.554 0.187 0.000 2.918 323 T HA 0.832 5.182 4.350 0.000 0.000 0.283 323 T C -0.473 174.401 174.700 0.290 0.000 1.001 323 T CA -0.479 61.703 62.100 0.136 0.000 1.041 323 T CB 1.730 70.596 68.868 -0.004 0.000 1.028 323 T HN 0.378 nan 8.240 nan 0.000 0.511 324 F N -1.669 118.287 119.950 0.010 0.000 2.725 324 F HA 0.592 5.120 4.527 0.000 0.000 0.309 324 F C -0.489 175.329 175.800 0.031 0.000 1.132 324 F CA -1.488 56.525 58.000 0.021 0.000 0.957 324 F CB 0.375 39.383 39.000 0.013 0.000 1.286 324 F HN 0.403 nan 8.300 nan 0.000 0.440 325 I N 0.258 120.922 120.570 0.156 0.000 3.265 325 I HA 0.137 4.307 4.170 0.000 0.000 0.282 325 I C -0.361 175.904 176.117 0.246 0.000 1.207 325 I CA 0.606 61.983 61.300 0.128 0.000 1.449 325 I CB 0.027 38.085 38.000 0.098 0.000 1.121 325 I HN 0.753 nan 8.210 nan 0.000 0.442 326 D N -0.426 120.174 120.400 0.334 0.000 2.768 326 D HA 0.396 5.036 4.640 0.000 0.000 0.327 326 D C -1.014 175.356 176.300 0.117 0.000 1.302 326 D CA -0.762 53.400 54.000 0.270 0.000 0.897 326 D CB 0.862 41.809 40.800 0.245 0.000 1.420 326 D HN 0.055 nan 8.370 nan 0.000 0.494 327 N N -2.930 115.645 118.700 -0.209 0.000 3.395 327 N HA 0.110 4.850 4.740 0.000 0.000 0.293 327 N C 0.235 175.216 175.510 -0.881 0.000 1.489 327 N CA -0.477 52.153 53.050 -0.699 0.000 0.871 327 N CB -0.218 38.063 38.487 -0.344 0.000 1.649 327 N HN 0.581 nan 8.380 nan 0.000 0.501 328 H N -1.752 116.785 119.070 -0.888 0.000 2.563 328 H HA 0.248 4.804 4.556 0.000 0.000 0.272 328 H C -0.776 174.489 175.328 -0.104 0.000 1.005 328 H CA 0.732 56.580 56.048 -0.334 0.000 1.171 328 H CB -0.288 29.442 29.762 -0.053 0.000 1.351 328 H HN 0.521 nan 8.280 nan 0.000 0.602 329 D N 0.642 120.773 120.400 -0.448 0.000 2.479 329 D HA 0.159 4.799 4.640 0.000 0.000 0.218 329 D C 0.820 177.104 176.300 -0.028 0.000 1.177 329 D CA 0.044 53.887 54.000 -0.262 0.000 0.830 329 D CB 0.777 41.433 40.800 -0.239 0.000 1.014 329 D HN 0.563 nan 8.370 nan 0.000 0.503 330 M N -1.398 118.201 119.600 -0.001 0.000 2.622 330 M HA 0.466 4.946 4.480 0.000 0.000 0.276 330 M C -0.485 175.858 176.300 0.071 0.000 1.265 330 M CA -1.003 54.340 55.300 0.072 0.000 0.850 330 M CB 2.032 34.717 32.600 0.142 0.000 1.720 330 M HN -0.211 nan 8.290 nan 0.000 0.465 331 S N 0.925 116.672 115.700 0.079 0.000 2.563 331 S HA 0.286 4.756 4.470 0.000 0.000 0.284 331 S C 0.086 174.757 174.600 0.119 0.000 1.331 331 S CA -0.585 57.667 58.200 0.086 0.000 1.047 331 S CB 0.357 63.588 63.200 0.052 0.000 0.859 331 S HN 0.728 nan 8.310 nan 0.000 0.514 332 R N 0.850 121.441 120.500 0.152 0.000 2.679 332 R HA 0.058 4.398 4.340 0.000 0.000 0.268 332 R C 1.055 177.470 176.300 0.192 0.000 1.044 332 R CA -0.005 56.219 56.100 0.207 0.000 1.105 332 R CB -0.052 30.370 30.300 0.202 0.000 0.989 332 R HN 0.840 nan 8.270 nan 0.000 0.447 333 F N 2.510 122.534 119.950 0.123 0.000 2.087 333 F HA -0.252 4.275 4.527 0.000 0.000 0.299 333 F C 1.879 177.739 175.800 0.100 0.000 1.100 333 F CA 1.745 59.812 58.000 0.112 0.000 1.226 333 F CB -0.088 38.980 39.000 0.114 0.000 0.983 333 F HN 0.430 nan 8.300 nan 0.000 0.479 334 L N -0.727 120.674 121.223 0.297 0.000 2.450 334 L HA -0.180 4.160 4.340 0.000 0.000 0.224 334 L C 2.163 179.056 176.870 0.038 0.000 1.149 334 L CA 0.962 55.909 54.840 0.178 0.000 0.816 334 L CB -0.636 41.560 42.059 0.228 0.000 0.932 334 L HN 0.107 nan 8.230 nan 0.000 0.449 335 S N -1.225 114.486 115.700 0.018 0.000 2.501 335 S HA -0.018 4.452 4.470 0.000 0.000 0.220 335 S C 1.913 176.471 174.600 -0.071 0.000 0.997 335 S CA 0.244 58.436 58.200 -0.013 0.000 0.919 335 S CB 0.350 63.558 63.200 0.013 0.000 0.778 335 S HN 0.154 nan 8.310 nan 0.000 0.523 336 V N 1.698 121.522 119.914 -0.149 0.000 2.407 336 V HA 0.107 4.227 4.120 0.000 0.000 0.245 336 V C 0.670 176.620 176.094 -0.240 0.000 1.041 336 V CA 0.879 63.053 62.300 -0.210 0.000 1.040 336 V CB -0.377 31.262 31.823 -0.307 0.000 0.671 336 V HN 0.445 nan 8.190 nan 0.000 0.455 337 N N -0.721 117.778 118.700 -0.334 0.000 2.572 337 N HA 0.080 4.821 4.740 0.000 0.000 0.287 337 N C 0.440 175.905 175.510 -0.075 0.000 1.136 337 N CA 0.459 53.387 53.050 -0.205 0.000 0.900 337 N CB 1.886 40.241 38.487 -0.220 0.000 1.484 337 N HN 0.083 nan 8.380 nan 0.000 0.526 338 S N 1.772 117.458 115.700 -0.023 0.000 2.607 338 S HA 0.013 4.483 4.470 0.000 0.000 0.224 338 S C 0.646 175.266 174.600 0.032 0.000 0.969 338 S CA -0.306 57.906 58.200 0.020 0.000 0.927 338 S CB -0.355 62.842 63.200 -0.005 0.000 0.772 338 S HN 0.595 nan 8.310 nan 0.000 0.533 339 N N 2.202 120.933 118.700 0.052 0.000 2.438 339 N HA 0.073 4.813 4.740 0.000 0.000 0.267 339 N C 0.576 176.114 175.510 0.047 0.000 1.222 339 N CA 0.130 53.206 53.050 0.044 0.000 0.930 339 N CB 0.635 39.161 38.487 0.065 0.000 1.083 339 N HN 0.384 nan 8.380 nan 0.000 0.476 340 K N 2.832 123.177 120.400 -0.090 0.000 2.211 340 K HA -0.088 4.232 4.320 0.000 0.000 0.203 340 K C 1.747 178.068 176.600 -0.464 0.000 1.050 340 K CA 1.160 57.271 56.287 -0.295 0.000 0.945 340 K CB 0.074 32.302 32.500 -0.455 0.000 0.732 340 K HN 0.596 nan 8.250 nan 0.000 0.451 341 A N 1.830 124.564 122.820 -0.143 0.000 1.930 341 A HA -0.191 4.129 4.320 0.000 0.000 0.217 341 A C 1.677 179.300 177.584 0.065 0.000 1.175 341 A CA 1.643 53.693 52.037 0.022 0.000 0.627 341 A CB -0.604 18.469 19.000 0.122 0.000 0.815 341 A HN 0.350 nan 8.150 nan 0.000 0.443 342 N N -0.501 118.288 118.700 0.148 0.000 2.188 342 N HA -0.116 4.624 4.740 0.000 0.000 0.184 342 N C 1.615 177.143 175.510 0.030 0.000 1.018 342 N CA 1.147 54.373 53.050 0.294 0.000 0.858 342 N CB -0.207 38.611 38.487 0.552 0.000 0.989 342 N HN 0.427 nan 8.380 nan 0.000 0.426 343 L N 0.824 121.985 121.223 -0.103 0.000 2.017 343 L HA -0.140 4.200 4.340 0.000 0.000 0.208 343 L C 1.637 178.324 176.870 -0.305 0.000 1.073 343 L CA 1.836 56.370 54.840 -0.510 0.000 0.745 343 L CB -0.728 41.211 42.059 -0.199 0.000 0.894 343 L HN 0.245 nan 8.230 nan 0.000 0.432 344 H N -1.183 117.844 119.070 -0.073 0.000 2.387 344 H HA -0.168 4.388 4.556 0.000 0.000 0.299 344 H C 2.197 177.444 175.328 -0.134 0.000 1.099 344 H CA 1.491 57.507 56.048 -0.054 0.000 1.315 344 H CB 0.033 29.812 29.762 0.028 0.000 1.380 344 H HN 0.513 nan 8.280 nan 0.000 0.513 345 Q N 0.460 120.228 119.800 -0.054 0.000 2.046 345 Q HA -0.101 4.239 4.340 0.000 0.000 0.200 345 Q C 2.683 178.328 176.000 -0.592 0.000 0.975 345 Q CA 1.142 56.830 55.803 -0.191 0.000 0.836 345 Q CB -0.044 28.659 28.738 -0.058 0.000 0.896 345 Q HN 0.481 nan 8.270 nan 0.000 0.428 346 A N 0.806 123.084 122.820 -0.902 0.000 1.902 346 A HA -0.163 4.158 4.320 0.000 0.000 0.217 346 A C 2.080 179.446 177.584 -0.363 0.000 1.181 346 A CA 1.132 52.597 52.037 -0.953 0.000 0.623 346 A CB -0.701 17.817 19.000 -0.803 0.000 0.818 346 A HN 0.293 nan 8.150 nan 0.000 0.443 347 L N -0.836 120.227 121.223 -0.267 0.000 2.017 347 L HA -0.206 4.134 4.340 0.000 0.000 0.208 347 L C 3.123 179.952 176.870 -0.068 0.000 1.073 347 L CA 1.117 55.887 54.840 -0.116 0.000 0.745 347 L CB -0.545 41.476 42.059 -0.063 0.000 0.894 347 L HN 0.443 nan 8.230 nan 0.000 0.432 348 A N -0.328 122.455 122.820 -0.061 0.000 1.933 348 A HA -0.276 4.044 4.320 0.000 0.000 0.218 348 A C 2.153 179.761 177.584 0.040 0.000 1.175 348 A CA 1.537 53.560 52.037 -0.022 0.000 0.628 348 A CB -0.818 18.172 19.000 -0.016 0.000 0.814 348 A HN 0.397 nan 8.150 nan 0.000 0.444 349 F N 1.611 121.511 119.950 -0.083 0.000 2.046 349 F HA -0.217 4.310 4.527 0.000 0.000 0.297 349 F C 2.085 177.890 175.800 0.008 0.000 1.123 349 F CA 2.053 60.071 58.000 0.029 0.000 1.199 349 F CB -0.395 38.601 39.000 -0.006 0.000 0.972 349 F HN 0.352 nan 8.300 nan 0.000 0.474 350 I N -1.517 118.994 120.570 -0.098 0.000 2.439 350 I HA -0.172 3.998 4.170 0.000 0.000 0.251 350 I C 2.010 178.037 176.117 -0.149 0.000 1.139 350 I CA 1.354 62.544 61.300 -0.183 0.000 1.438 350 I CB -0.865 37.110 38.000 -0.042 0.000 1.085 350 I HN 0.184 nan 8.210 nan 0.000 0.427 351 L N 1.454 122.618 121.223 -0.099 0.000 2.201 351 L HA -0.103 4.237 4.340 0.000 0.000 0.212 351 L C 2.470 179.270 176.870 -0.116 0.000 1.105 351 L CA 1.887 56.671 54.840 -0.093 0.000 0.775 351 L CB -0.575 41.438 42.059 -0.076 0.000 0.913 351 L HN 0.556 nan 8.230 nan 0.000 0.440 352 T N -6.440 108.043 114.554 -0.117 0.000 3.010 352 T HA 0.194 4.544 4.350 0.000 0.000 0.257 352 T C 0.838 175.487 174.700 -0.084 0.000 1.020 352 T CA -0.270 61.774 62.100 -0.092 0.000 0.938 352 T CB 0.315 69.153 68.868 -0.052 0.000 1.049 352 T HN -0.014 nan 8.240 nan 0.000 0.522 353 S N 2.443 118.000 115.700 -0.239 0.000 2.669 353 S HA 0.547 5.017 4.470 0.000 0.000 0.270 353 S C 0.448 174.918 174.600 -0.217 0.000 1.225 353 S CA -1.013 56.980 58.200 -0.345 0.000 0.991 353 S CB 0.744 63.455 63.200 -0.816 0.000 0.987 353 S HN 0.622 nan 8.310 nan 0.000 0.552 354 R N 0.843 121.241 120.500 -0.169 0.000 2.734 354 R HA 0.449 4.789 4.340 0.000 0.000 0.266 354 R C 0.549 176.804 176.300 -0.074 0.000 1.044 354 R CA 0.671 56.723 56.100 -0.081 0.000 1.128 354 R CB -1.417 28.868 30.300 -0.024 0.000 1.010 354 R HN 0.975 nan 8.270 nan 0.000 0.461 355 G N 0.643 109.426 108.800 -0.029 0.000 2.660 355 G HA2 -0.182 3.778 3.960 0.000 0.000 0.247 355 G HA3 -0.182 3.778 3.960 0.000 0.000 0.247 355 G C -1.275 173.603 174.900 -0.038 0.000 1.328 355 G CA -0.134 44.962 45.100 -0.006 0.000 0.884 355 G HN 0.826 nan 8.290 nan 0.000 0.531 356 T N 3.619 118.165 114.554 -0.014 0.000 2.812 356 T HA 0.683 5.033 4.350 0.000 0.000 0.282 356 T C -2.489 172.224 174.700 0.022 0.000 0.990 356 T CA -0.586 61.494 62.100 -0.033 0.000 0.960 356 T CB 2.511 71.334 68.868 -0.075 0.000 0.948 356 T HN 0.624 nan 8.240 nan 0.000 0.438 357 P HA 0.245 nan 4.420 nan 0.000 0.275 357 P C -0.723 176.652 177.300 0.125 0.000 1.227 357 P CA -0.371 62.766 63.100 0.062 0.000 0.781 357 P CB 0.919 32.629 31.700 0.017 0.000 0.906 358 S N 3.401 119.223 115.700 0.204 0.000 2.474 358 S HA 0.492 4.963 4.470 0.000 0.000 0.321 358 S C -0.320 174.395 174.600 0.192 0.000 1.080 358 S CA -0.820 57.528 58.200 0.246 0.000 1.106 358 S CB -0.369 63.060 63.200 0.382 0.000 0.984 358 S HN 0.239 nan 8.310 nan 0.000 0.464 359 I N 5.505 126.156 120.570 0.135 0.000 2.321 359 I HA 0.264 4.434 4.170 0.000 0.000 0.291 359 I C -0.469 175.612 176.117 -0.060 0.000 0.998 359 I CA -0.867 60.483 61.300 0.084 0.000 1.227 359 I CB 0.802 38.879 38.000 0.129 0.000 1.368 359 I HN 0.625 nan 8.210 nan 0.000 0.466 360 Y N 8.829 129.023 120.300 -0.177 0.000 2.442 360 Y HA 0.050 4.600 4.550 0.000 0.000 0.330 360 Y C 0.093 175.747 175.900 -0.411 0.000 1.129 360 Y CA -0.998 56.935 58.100 -0.279 0.000 1.365 360 Y CB 0.132 38.502 38.460 -0.149 0.000 1.233 360 Y HN 0.442 nan 8.280 nan 0.000 0.529 361 Y N 3.732 123.527 120.300 -0.842 0.000 2.903 361 Y HA 0.290 4.840 4.550 0.000 0.000 0.338 361 Y C 1.151 176.841 175.900 -0.350 0.000 1.265 361 Y CA -0.317 57.334 58.100 -0.749 0.000 1.532 361 Y CB -0.055 38.148 38.460 -0.428 0.000 1.293 361 Y HN 0.946 nan 8.280 nan 0.000 0.609 362 G N 2.053 110.823 108.800 -0.050 0.000 2.179 362 G HA2 -0.375 3.585 3.960 0.000 0.000 0.260 362 G HA3 -0.375 3.585 3.960 0.000 0.000 0.260 362 G C 0.832 175.657 174.900 -0.126 0.000 0.977 362 G CA 0.577 45.609 45.100 -0.113 0.000 0.641 362 G HN 0.889 nan 8.290 nan 0.000 0.533 363 T N 1.453 115.938 114.554 -0.115 0.000 2.720 363 T HA -0.116 4.234 4.350 0.000 0.000 0.268 363 T C 2.138 176.779 174.700 -0.098 0.000 1.037 363 T CA 1.888 63.959 62.100 -0.047 0.000 1.144 363 T CB -0.228 68.642 68.868 0.005 0.000 0.864 363 T HN 0.789 nan 8.240 nan 0.000 0.444 364 E N 0.992 121.160 120.200 -0.054 0.000 2.478 364 E HA -0.110 4.240 4.350 0.000 0.000 0.198 364 E C 1.227 177.649 176.600 -0.297 0.000 1.046 364 E CA 0.731 57.045 56.400 -0.143 0.000 0.870 364 E CB -0.097 29.641 29.700 0.063 0.000 0.818 364 E HN 0.396 nan 8.360 nan 0.000 0.527 365 Q N -0.025 119.655 119.800 -0.200 0.000 2.198 365 Q HA 0.067 4.407 4.340 0.000 0.000 0.209 365 Q C -0.607 175.348 176.000 -0.075 0.000 0.848 365 Q CA -0.442 55.273 55.803 -0.147 0.000 0.974 365 Q CB -0.189 28.507 28.738 -0.069 0.000 1.115 365 Q HN 0.295 nan 8.270 nan 0.000 0.494 366 Y N -1.321 119.028 120.300 0.082 0.000 3.477 366 Y HA -0.267 4.283 4.550 0.000 0.000 0.216 366 Y C 0.330 176.263 175.900 0.055 0.000 1.296 366 Y CA 0.182 58.326 58.100 0.074 0.000 1.535 366 Y CB -2.682 35.824 38.460 0.077 0.000 1.482 366 Y HN 0.209 nan 8.280 nan 0.000 0.597 367 M N 0.425 120.085 119.600 0.100 0.000 2.245 367 M HA 0.434 4.915 4.480 0.000 0.000 0.344 367 M C 0.827 177.199 176.300 0.119 0.000 1.170 367 M CA 0.885 56.230 55.300 0.075 0.000 1.135 367 M CB 0.769 33.345 32.600 -0.040 0.000 1.574 367 M HN 0.450 nan 8.290 nan 0.000 0.452 368 A N 1.754 124.650 122.820 0.127 0.000 2.387 368 A HA 1.032 5.352 4.320 0.000 0.000 0.298 368 A C -0.314 177.349 177.584 0.132 0.000 1.165 368 A CA -0.291 51.822 52.037 0.127 0.000 0.814 368 A CB 1.836 20.899 19.000 0.104 0.000 1.357 368 A HN 0.939 nan 8.150 nan 0.000 0.443 369 G N -1.387 107.481 108.800 0.114 0.000 2.351 369 G HA2 0.569 4.529 3.960 0.000 0.000 0.296 369 G HA3 0.569 4.529 3.960 0.000 0.000 0.296 369 G C -0.086 174.872 174.900 0.096 0.000 1.685 369 G CA 0.154 45.321 45.100 0.113 0.000 0.936 369 G HN 1.484 nan 8.290 nan 0.000 0.714 370 G N 0.273 109.108 108.800 0.058 0.000 2.468 370 G HA2 0.419 4.380 3.960 0.000 0.000 0.264 370 G HA3 0.419 4.380 3.960 0.000 0.000 0.264 370 G C 0.477 175.444 174.900 0.113 0.000 1.460 370 G CA -0.205 44.929 45.100 0.056 0.000 1.060 370 G HN 0.727 nan 8.290 nan 0.000 0.543 371 N N -0.095 118.665 118.700 0.099 0.000 2.354 371 N HA 0.057 4.797 4.740 0.000 0.000 0.246 371 N C 0.011 175.569 175.510 0.081 0.000 1.285 371 N CA -0.476 52.623 53.050 0.081 0.000 0.925 371 N CB 0.642 39.154 38.487 0.042 0.000 1.174 371 N HN 0.406 nan 8.380 nan 0.000 0.478 372 D N 0.508 120.925 120.400 0.027 0.000 2.772 372 D HA -0.080 4.560 4.640 0.000 0.000 0.227 372 D C -1.694 174.539 176.300 -0.112 0.000 1.114 372 D CA -0.471 53.520 54.000 -0.014 0.000 0.832 372 D CB 0.566 41.349 40.800 -0.029 0.000 1.154 372 D HN 0.363 nan 8.370 nan 0.000 0.514 373 P HA 0.024 nan 4.420 nan 0.000 0.268 373 P C 0.319 177.479 177.300 -0.232 0.000 1.329 373 P CA 0.106 63.081 63.100 -0.208 0.000 0.899 373 P CB 0.017 31.603 31.700 -0.189 0.000 1.378 374 Y N 1.724 121.951 120.300 -0.123 0.000 2.583 374 Y HA -0.026 4.525 4.550 0.000 0.000 0.293 374 Y C 1.778 177.689 175.900 0.018 0.000 1.157 374 Y CA 0.611 58.492 58.100 -0.364 0.000 1.315 374 Y CB -0.984 37.179 38.460 -0.494 0.000 1.021 374 Y HN 0.119 nan 8.280 nan 0.000 0.536 375 N N 0.309 119.149 118.700 0.233 0.000 2.322 375 N HA 0.014 4.755 4.740 0.000 0.000 0.194 375 N C 0.233 175.990 175.510 0.412 0.000 1.126 375 N CA 0.070 53.303 53.050 0.305 0.000 0.845 375 N CB -0.176 38.476 38.487 0.276 0.000 0.976 375 N HN 0.193 nan 8.380 nan 0.000 0.475 376 R N 0.155 120.918 120.500 0.438 0.000 2.865 376 R HA 0.355 4.695 4.340 0.000 0.000 0.370 376 R C 0.567 177.111 176.300 0.407 0.000 1.168 376 R CA -0.376 55.998 56.100 0.457 0.000 1.058 376 R CB 0.709 31.242 30.300 0.390 0.000 1.419 376 R HN 0.134 nan 8.270 nan 0.000 0.580 377 G N 0.730 109.844 108.800 0.523 0.000 2.684 377 G HA2 0.147 4.107 3.960 0.000 0.000 0.255 377 G HA3 0.147 4.107 3.960 0.000 0.000 0.255 377 G C -0.214 174.928 174.900 0.405 0.000 1.219 377 G CA -0.503 44.897 45.100 0.501 0.000 0.901 377 G HN 0.130 nan 8.290 nan 0.000 0.548 378 M N 0.388 120.237 119.600 0.415 0.000 2.217 378 M HA 0.334 4.814 4.480 0.000 0.000 0.354 378 M C 0.516 176.954 176.300 0.230 0.000 1.225 378 M CA -0.522 54.974 55.300 0.326 0.000 1.137 378 M CB 1.058 33.801 32.600 0.239 0.000 1.576 378 M HN 0.486 nan 8.290 nan 0.000 0.461 379 M N 8.810 128.540 119.600 0.217 0.000 2.338 379 M HA 0.112 4.592 4.480 0.000 0.000 0.360 379 M C -1.850 174.366 176.300 -0.139 0.000 1.547 379 M CA -0.541 54.767 55.300 0.013 0.000 1.001 379 M CB 0.285 32.787 32.600 -0.165 0.000 2.008 379 M HN 0.488 nan 8.290 nan 0.000 0.464 380 P HA 0.226 nan 4.420 nan 0.000 0.226 380 P C -0.535 176.662 177.300 -0.172 0.000 1.161 380 P CA 0.865 63.903 63.100 -0.104 0.000 0.804 380 P CB 0.343 32.024 31.700 -0.032 0.000 0.829 381 A N -1.135 121.448 122.820 -0.395 0.000 2.566 381 A HA 0.614 4.934 4.320 0.000 0.000 0.290 381 A C -1.642 175.474 177.584 -0.780 0.000 1.071 381 A CA -0.517 51.307 52.037 -0.355 0.000 0.658 381 A CB -0.108 18.818 19.000 -0.123 0.000 1.285 381 A HN -0.115 nan 8.150 nan 0.000 0.427 382 F N 0.828 120.652 119.950 -0.210 0.000 2.761 382 F HA 0.250 4.777 4.527 0.000 0.000 0.367 382 F C 0.206 175.971 175.800 -0.058 0.000 1.386 382 F CA -0.553 57.225 58.000 -0.370 0.000 1.177 382 F CB 1.010 39.655 39.000 -0.592 0.000 1.092 382 F HN 0.541 nan 8.300 nan 0.000 0.517 383 D N 1.179 121.616 120.400 0.061 0.000 2.339 383 D HA 0.035 4.675 4.640 0.000 0.000 0.256 383 D C 1.281 177.484 176.300 -0.162 0.000 1.214 383 D CA 0.254 54.250 54.000 -0.006 0.000 0.877 383 D CB 1.278 42.077 40.800 -0.001 0.000 1.111 383 D HN 0.329 nan 8.370 nan 0.000 0.478 384 T N -0.535 113.778 114.554 -0.402 0.000 3.169 384 T HA -0.035 4.316 4.350 0.000 0.000 0.250 384 T C 1.317 175.554 174.700 -0.771 0.000 1.111 384 T CA 0.582 61.961 62.100 -1.201 0.000 1.010 384 T CB -0.287 68.041 68.868 -0.899 0.000 0.984 384 T HN 0.375 nan 8.240 nan 0.000 0.537 385 T N -0.623 113.745 114.554 -0.309 0.000 3.054 385 T HA 0.178 4.528 4.350 0.000 0.000 0.255 385 T C 0.940 175.642 174.700 0.003 0.000 1.035 385 T CA 0.064 62.096 62.100 -0.114 0.000 0.941 385 T CB -0.421 68.412 68.868 -0.059 0.000 1.026 385 T HN 0.539 nan 8.240 nan 0.000 0.533 386 T N -0.229 114.352 114.554 0.045 0.000 2.900 386 T HA 0.194 4.544 4.350 0.000 0.000 0.307 386 T C 1.383 176.190 174.700 0.179 0.000 1.065 386 T CA 0.013 62.216 62.100 0.170 0.000 1.105 386 T CB 0.888 69.868 68.868 0.186 0.000 0.979 386 T HN 0.075 nan 8.240 nan 0.000 0.544 387 T N 2.027 116.710 114.554 0.215 0.000 2.720 387 T HA -0.069 4.281 4.350 0.000 0.000 0.268 387 T C 2.389 177.073 174.700 -0.026 0.000 1.037 387 T CA 1.490 63.627 62.100 0.062 0.000 1.144 387 T CB -0.822 68.048 68.868 0.005 0.000 0.864 387 T HN 0.831 nan 8.240 nan 0.000 0.444 388 A N 0.888 123.778 122.820 0.117 0.000 1.902 388 A HA -0.030 4.290 4.320 0.000 0.000 0.217 388 A C 2.002 179.602 177.584 0.026 0.000 1.181 388 A CA 1.314 53.382 52.037 0.050 0.000 0.623 388 A CB -0.962 18.049 19.000 0.019 0.000 0.818 388 A HN 0.480 nan 8.150 nan 0.000 0.443 389 F N 0.852 120.759 119.950 -0.073 0.000 2.095 389 F HA -0.176 4.351 4.527 0.000 0.000 0.298 389 F C 2.192 177.944 175.800 -0.080 0.000 1.104 389 F CA 2.246 60.201 58.000 -0.075 0.000 1.232 389 F CB -0.180 38.786 39.000 -0.056 0.000 0.987 389 F HN 0.126 nan 8.300 nan 0.000 0.475 390 K N -0.051 120.493 120.400 0.240 0.000 2.097 390 K HA -0.238 4.082 4.320 0.000 0.000 0.206 390 K C 2.156 178.743 176.600 -0.021 0.000 1.049 390 K CA 1.672 58.028 56.287 0.116 0.000 0.933 390 K CB -0.416 32.132 32.500 0.080 0.000 0.717 390 K HN 0.461 nan 8.250 nan 0.000 0.442 391 E N 1.024 121.190 120.200 -0.057 0.000 2.051 391 E HA -0.179 4.171 4.350 0.000 0.000 0.192 391 E C 1.962 178.509 176.600 -0.089 0.000 0.991 391 E CA 1.252 57.602 56.400 -0.083 0.000 0.799 391 E CB 0.120 29.749 29.700 -0.119 0.000 0.748 391 E HN 0.018 nan 8.360 nan 0.000 0.449 392 V N 0.747 120.586 119.914 -0.125 0.000 2.343 392 V HA -0.245 3.875 4.120 0.000 0.000 0.247 392 V C 2.561 178.540 176.094 -0.191 0.000 1.051 392 V CA 1.878 64.085 62.300 -0.156 0.000 1.036 392 V CB -0.641 31.066 31.823 -0.193 0.000 0.654 392 V HN 0.318 nan 8.190 nan 0.000 0.451 393 S N -0.555 114.986 115.700 -0.264 0.000 2.356 393 S HA -0.231 4.239 4.470 0.000 0.000 0.223 393 S C 2.113 176.653 174.600 -0.101 0.000 1.032 393 S CA 2.421 60.485 58.200 -0.227 0.000 1.005 393 S CB -0.399 62.662 63.200 -0.232 0.000 0.867 393 S HN 0.700 nan 8.310 nan 0.000 0.449 394 T N 2.726 117.245 114.554 -0.057 0.000 2.674 394 T HA 0.023 4.373 4.350 0.000 0.000 0.265 394 T C 1.743 176.498 174.700 0.091 0.000 1.039 394 T CA 1.502 63.612 62.100 0.017 0.000 1.150 394 T CB -0.403 68.466 68.868 0.001 0.000 0.864 394 T HN 0.325 nan 8.240 nan 0.000 0.427 395 L N 0.632 121.866 121.223 0.018 0.000 2.217 395 L HA 0.032 4.372 4.340 0.000 0.000 0.211 395 L C 2.967 179.800 176.870 -0.062 0.000 1.107 395 L CA 0.718 55.546 54.840 -0.020 0.000 0.783 395 L CB -0.624 41.401 42.059 -0.057 0.000 0.919 395 L HN 0.243 nan 8.230 nan 0.000 0.442 396 A N 0.500 123.278 122.820 -0.070 0.000 1.930 396 A HA -0.091 4.229 4.320 0.000 0.000 0.217 396 A C 2.410 179.951 177.584 -0.071 0.000 1.175 396 A CA 1.608 53.593 52.037 -0.087 0.000 0.627 396 A CB -1.057 17.878 19.000 -0.109 0.000 0.815 396 A HN 0.413 nan 8.150 nan 0.000 0.443 397 G N -0.187 108.596 108.800 -0.029 0.000 2.418 397 G HA2 -0.131 3.829 3.960 0.000 0.000 0.217 397 G HA3 -0.131 3.829 3.960 0.000 0.000 0.217 397 G C 1.482 176.379 174.900 -0.004 0.000 1.158 397 G CA 1.160 46.262 45.100 0.003 0.000 0.771 397 G HN 0.486 nan 8.290 nan 0.000 0.545 398 L N 0.715 121.920 121.223 -0.029 0.000 2.046 398 L HA 0.051 4.391 4.340 0.000 0.000 0.208 398 L C 2.712 179.455 176.870 -0.211 0.000 1.077 398 L CA 2.255 56.947 54.840 -0.248 0.000 0.747 398 L CB -0.498 41.227 42.059 -0.555 0.000 0.896 398 L HN 0.269 nan 8.230 nan 0.000 0.432 399 R N -0.756 119.640 120.500 -0.173 0.000 2.092 399 R HA -0.117 4.223 4.340 0.000 0.000 0.231 399 R C 2.349 178.541 176.300 -0.179 0.000 1.119 399 R CA 1.277 57.268 56.100 -0.181 0.000 0.970 399 R CB -0.148 30.057 30.300 -0.158 0.000 0.864 399 R HN 0.364 nan 8.270 nan 0.000 0.440 400 R N -0.204 120.213 120.500 -0.138 0.000 2.115 400 R HA 0.005 4.345 4.340 0.000 0.000 0.226 400 R C 1.235 177.460 176.300 -0.124 0.000 1.100 400 R CA 1.269 57.293 56.100 -0.127 0.000 0.980 400 R CB -0.041 30.205 30.300 -0.090 0.000 0.875 400 R HN 0.346 nan 8.270 nan 0.000 0.445 401 N N -0.173 118.461 118.700 -0.111 0.000 2.368 401 N HA -0.046 4.694 4.740 0.000 0.000 0.178 401 N C -0.031 175.413 175.510 -0.110 0.000 1.076 401 N CA 0.310 53.305 53.050 -0.091 0.000 0.889 401 N CB 0.144 38.603 38.487 -0.046 0.000 1.040 401 N HN 0.042 nan 8.380 nan 0.000 0.463 402 N N 0.917 119.528 118.700 -0.149 0.000 2.446 402 N HA 0.301 5.041 4.740 0.000 0.000 0.265 402 N C 0.384 175.793 175.510 -0.167 0.000 0.975 402 N CA -0.157 52.812 53.050 -0.134 0.000 0.928 402 N CB 1.718 40.113 38.487 -0.153 0.000 1.160 402 N HN -0.019 nan 8.380 nan 0.000 0.495 403 A N 3.553 126.300 122.820 -0.121 0.000 2.076 403 A HA -0.081 4.239 4.320 0.000 0.000 0.220 403 A C 1.998 179.465 177.584 -0.195 0.000 1.160 403 A CA 1.804 53.704 52.037 -0.227 0.000 0.653 403 A CB -0.439 18.585 19.000 0.040 0.000 0.801 403 A HN 0.743 nan 8.150 nan 0.000 0.455 404 A N 0.051 122.876 122.820 0.008 0.000 1.972 404 A HA -0.070 4.250 4.320 0.000 0.000 0.219 404 A C 1.918 179.467 177.584 -0.057 0.000 1.169 404 A CA 1.583 53.660 52.037 0.067 0.000 0.635 404 A CB -0.404 18.648 19.000 0.088 0.000 0.810 404 A HN 0.423 nan 8.150 nan 0.000 0.446 405 I N -0.134 120.346 120.570 -0.149 0.000 2.353 405 I HA -0.207 3.963 4.170 0.000 0.000 0.248 405 I C 2.495 178.468 176.117 -0.239 0.000 1.119 405 I CA 1.291 62.489 61.300 -0.169 0.000 1.417 405 I CB -1.633 36.253 38.000 -0.190 0.000 1.078 405 I HN 0.485 nan 8.210 nan 0.000 0.421 406 Q N -0.300 119.239 119.800 -0.435 0.000 2.083 406 Q HA -0.150 4.190 4.340 0.000 0.000 0.198 406 Q C 1.285 176.985 176.000 -0.500 0.000 0.969 406 Q CA 1.572 56.984 55.803 -0.652 0.000 0.838 406 Q CB 0.018 27.983 28.738 -1.288 0.000 0.900 406 Q HN 0.524 nan 8.270 nan 0.000 0.436 407 Y N -1.433 118.743 120.300 -0.208 0.000 2.499 407 Y HA 0.338 4.888 4.550 0.000 0.000 0.253 407 Y C 0.968 176.889 175.900 0.035 0.000 1.105 407 Y CA -0.532 57.468 58.100 -0.166 0.000 1.240 407 Y CB -0.026 38.066 38.460 -0.613 0.000 1.289 407 Y HN -0.062 nan 8.280 nan 0.000 0.534 408 G N 1.314 110.219 108.800 0.175 0.000 2.614 408 G HA2 0.316 4.276 3.960 0.000 0.000 0.239 408 G HA3 0.316 4.276 3.960 0.000 0.000 0.239 408 G C 0.489 175.482 174.900 0.155 0.000 1.240 408 G CA 0.081 45.316 45.100 0.225 0.000 0.842 408 G HN 0.204 nan 8.290 nan 0.000 0.584 409 T N -1.588 113.045 114.554 0.132 0.000 2.701 409 T HA 0.478 4.828 4.350 0.000 0.000 0.303 409 T C 0.158 174.908 174.700 0.083 0.000 1.030 409 T CA -0.189 61.963 62.100 0.087 0.000 1.010 409 T CB 1.055 69.955 68.868 0.053 0.000 1.007 409 T HN 0.418 nan 8.240 nan 0.000 0.532 410 T N 1.423 116.023 114.554 0.077 0.000 2.879 410 T HA 0.571 4.921 4.350 0.000 0.000 0.290 410 T C -0.730 174.033 174.700 0.106 0.000 0.993 410 T CA -0.638 61.517 62.100 0.092 0.000 0.975 410 T CB 1.601 70.503 68.868 0.057 0.000 0.981 410 T HN 0.775 nan 8.240 nan 0.000 0.439 411 T N 3.344 117.977 114.554 0.131 0.000 2.879 411 T HA 0.356 4.706 4.350 0.000 0.000 0.290 411 T C -0.616 174.193 174.700 0.181 0.000 0.993 411 T CA -0.763 61.416 62.100 0.132 0.000 0.975 411 T CB 1.826 70.753 68.868 0.098 0.000 0.981 411 T HN 0.501 nan 8.240 nan 0.000 0.439 412 Q N 2.682 122.609 119.800 0.212 0.000 2.304 412 Q HA 0.192 4.532 4.340 0.000 0.000 0.260 412 Q C 0.029 176.157 176.000 0.214 0.000 0.965 412 Q CA -0.089 55.886 55.803 0.287 0.000 0.898 412 Q CB 0.619 29.555 28.738 0.329 0.000 1.196 412 Q HN 0.497 nan 8.270 nan 0.000 0.402 413 R N 3.041 123.682 120.500 0.236 0.000 2.369 413 R HA 0.176 4.516 4.340 0.000 0.000 0.210 413 R C -0.495 175.994 176.300 0.315 0.000 0.881 413 R CA 0.308 56.540 56.100 0.220 0.000 1.031 413 R CB 0.762 31.177 30.300 0.191 0.000 1.184 413 R HN 0.702 nan 8.270 nan 0.000 0.581 414 W N 0.105 121.479 121.300 0.124 0.000 3.800 414 W HA 0.546 5.206 4.660 0.000 0.000 0.299 414 W C -1.763 174.811 176.519 0.092 0.000 1.231 414 W CA -0.549 56.847 57.345 0.086 0.000 1.232 414 W CB 1.213 30.712 29.460 0.066 0.000 1.291 414 W HN -0.164 nan 8.180 nan 0.000 0.514 415 I N 6.471 127.034 120.570 -0.012 0.000 2.787 415 I HA 0.467 4.637 4.170 0.000 0.000 0.294 415 I C -1.389 174.469 176.117 -0.432 0.000 1.365 415 I CA -0.450 60.783 61.300 -0.111 0.000 1.029 415 I CB 1.496 39.361 38.000 -0.225 0.000 1.313 415 I HN 0.598 nan 8.210 nan 0.000 0.431 416 N N 3.638 122.098 118.700 -0.400 0.000 3.418 416 N HA 0.351 5.091 4.740 0.000 0.000 0.316 416 N C -0.365 174.886 175.510 -0.432 0.000 1.601 416 N CA -0.637 52.197 53.050 -0.359 0.000 0.805 416 N CB 0.053 38.441 38.487 -0.165 0.000 1.873 416 N HN 0.410 nan 8.380 nan 0.000 0.615 417 N N -0.421 118.193 118.700 -0.142 0.000 2.223 417 N HA -0.049 4.692 4.740 0.000 0.000 0.185 417 N C -0.097 175.305 175.510 -0.179 0.000 1.016 417 N CA 1.268 54.254 53.050 -0.108 0.000 0.863 417 N CB -0.171 38.337 38.487 0.035 0.000 0.983 417 N HN 0.502 nan 8.380 nan 0.000 0.429 418 D N -0.899 119.413 120.400 -0.147 0.000 2.423 418 D HA 0.128 4.768 4.640 0.000 0.000 0.212 418 D C -0.124 176.130 176.300 -0.076 0.000 1.060 418 D CA 0.232 54.179 54.000 -0.088 0.000 0.872 418 D CB 1.081 41.935 40.800 0.090 0.000 1.012 418 D HN -0.092 nan 8.370 nan 0.000 0.503 419 V N 1.398 121.248 119.914 -0.105 0.000 2.513 419 V HA 0.275 4.395 4.120 0.000 0.000 0.299 419 V C -1.138 175.068 176.094 0.185 0.000 1.035 419 V CA -0.830 61.499 62.300 0.048 0.000 0.889 419 V CB 2.219 34.049 31.823 0.012 0.000 0.988 419 V HN -0.010 nan 8.190 nan 0.000 0.440 420 Y N 5.569 125.929 120.300 0.101 0.000 2.327 420 Y HA 0.625 5.175 4.550 0.000 0.000 0.325 420 Y C -0.645 175.419 175.900 0.274 0.000 0.999 420 Y CA -1.851 56.356 58.100 0.179 0.000 1.195 420 Y CB 1.457 40.022 38.460 0.175 0.000 1.132 420 Y HN 0.535 nan 8.280 nan 0.000 0.455 421 I N 8.791 129.557 120.570 0.328 0.000 2.355 421 I HA 0.304 4.474 4.170 0.000 0.000 0.288 421 I C -1.098 175.038 176.117 0.032 0.000 0.999 421 I CA -0.945 60.424 61.300 0.115 0.000 1.163 421 I CB 0.697 38.839 38.000 0.237 0.000 1.316 421 I HN 0.511 nan 8.210 nan 0.000 0.454 422 Y N 3.131 123.310 120.300 -0.202 0.000 2.602 422 Y HA 0.774 5.324 4.550 0.000 0.000 0.342 422 Y C -0.763 175.094 175.900 -0.072 0.000 1.029 422 Y CA -1.373 56.604 58.100 -0.204 0.000 1.080 422 Y CB 1.213 39.392 38.460 -0.468 0.000 1.284 422 Y HN 0.446 nan 8.280 nan 0.000 0.485 423 E N 1.668 121.947 120.200 0.133 0.000 2.234 423 E HA 0.452 4.802 4.350 0.000 0.000 0.266 423 E C -1.210 175.459 176.600 0.114 0.000 0.877 423 E CA -1.126 55.313 56.400 0.065 0.000 0.758 423 E CB 1.120 30.856 29.700 0.059 0.000 1.170 423 E HN 0.580 nan 8.360 nan 0.000 0.415 424 R N 3.144 123.693 120.500 0.081 0.000 2.368 424 R HA 0.453 4.793 4.340 0.000 0.000 0.302 424 R C -0.611 175.739 176.300 0.082 0.000 1.002 424 R CA -0.544 55.607 56.100 0.085 0.000 0.929 424 R CB 1.345 31.678 30.300 0.055 0.000 1.073 424 R HN 0.485 nan 8.270 nan 0.000 0.464 425 K N 2.138 122.601 120.400 0.106 0.000 2.553 425 K HA 0.351 4.671 4.320 0.000 0.000 0.250 425 K C -1.835 174.878 176.600 0.189 0.000 0.953 425 K CA -0.563 55.796 56.287 0.120 0.000 0.800 425 K CB 1.272 33.809 32.500 0.063 0.000 1.243 425 K HN 0.397 nan 8.250 nan 0.000 0.435 426 F N 7.151 127.143 119.950 0.070 0.000 2.646 426 F HA 0.352 4.879 4.527 0.000 0.000 0.364 426 F C -0.247 175.686 175.800 0.223 0.000 1.137 426 F CA -0.372 57.698 58.000 0.117 0.000 1.085 426 F CB -0.015 39.136 39.000 0.251 0.000 1.331 426 F HN 0.830 nan 8.300 nan 0.000 0.472 427 F N 1.221 120.987 119.950 -0.308 0.000 2.640 427 F HA -0.500 4.027 4.527 0.000 0.000 0.227 427 F C 1.610 177.384 175.800 -0.044 0.000 1.481 427 F CA 1.784 59.639 58.000 -0.242 0.000 1.964 427 F CB -0.914 37.838 39.000 -0.414 0.000 0.564 427 F HN 0.438 nan 8.300 nan 0.000 0.224 428 N N 0.943 119.785 118.700 0.236 0.000 2.412 428 N HA 0.012 4.752 4.740 0.000 0.000 0.184 428 N C -0.562 175.128 175.510 0.299 0.000 1.101 428 N CA 0.902 54.094 53.050 0.236 0.000 0.881 428 N CB -0.409 38.226 38.487 0.246 0.000 0.969 428 N HN 0.359 nan 8.380 nan 0.000 0.459 429 D N 1.027 121.587 120.400 0.268 0.000 2.264 429 D HA 0.249 4.889 4.640 0.000 0.000 0.250 429 D C -0.046 176.383 176.300 0.216 0.000 1.113 429 D CA 0.042 54.186 54.000 0.240 0.000 0.871 429 D CB 2.294 43.230 40.800 0.227 0.000 1.167 429 D HN -0.250 nan 8.370 nan 0.000 0.447 430 V N 2.117 122.150 119.914 0.199 0.000 2.760 430 V HA 0.393 4.513 4.120 0.000 0.000 0.309 430 V C -0.229 175.905 176.094 0.066 0.000 1.077 430 V CA -0.840 61.535 62.300 0.126 0.000 0.910 430 V CB 2.489 34.379 31.823 0.111 0.000 1.008 430 V HN 0.259 nan 8.190 nan 0.000 0.424 431 V N 5.203 125.125 119.914 0.013 0.000 2.525 431 V HA 0.505 4.625 4.120 0.000 0.000 0.299 431 V C -0.837 175.220 176.094 -0.062 0.000 1.034 431 V CA -0.522 61.750 62.300 -0.047 0.000 0.863 431 V CB 1.814 33.573 31.823 -0.106 0.000 0.999 431 V HN 0.675 nan 8.190 nan 0.000 0.423 432 L N 6.753 127.951 121.223 -0.042 0.000 2.287 432 L HA 0.763 5.103 4.340 0.000 0.000 0.287 432 L C -0.606 176.195 176.870 -0.116 0.000 1.022 432 L CA 0.048 54.881 54.840 -0.012 0.000 0.814 432 L CB 1.662 43.800 42.059 0.131 0.000 1.217 432 L HN 0.454 nan 8.230 nan 0.000 0.420 433 V N 4.857 124.541 119.914 -0.383 0.000 2.448 433 V HA 0.838 4.958 4.120 0.000 0.000 0.295 433 V C 0.021 175.837 176.094 -0.464 0.000 1.025 433 V CA -0.467 61.489 62.300 -0.574 0.000 0.859 433 V CB 1.379 32.669 31.823 -0.887 0.000 0.988 433 V HN 0.935 nan 8.190 nan 0.000 0.431 434 A N 6.482 129.118 122.820 -0.306 0.000 2.318 434 A HA 0.909 5.229 4.320 0.000 0.000 0.317 434 A C -0.804 176.771 177.584 -0.015 0.000 1.159 434 A CA -0.454 51.554 52.037 -0.049 0.000 0.799 434 A CB 0.641 19.753 19.000 0.187 0.000 1.194 434 A HN 0.774 nan 8.150 nan 0.000 0.479 435 I N 2.543 123.180 120.570 0.111 0.000 2.466 435 I HA 0.284 4.454 4.170 0.000 0.000 0.289 435 I C -0.620 175.630 176.117 0.222 0.000 1.026 435 I CA -0.717 60.699 61.300 0.194 0.000 1.078 435 I CB 2.188 40.387 38.000 0.332 0.000 1.249 435 I HN 0.649 nan 8.210 nan 0.000 0.429 436 N N 5.682 124.510 118.700 0.213 0.000 2.476 436 N HA 0.261 5.002 4.740 0.000 0.000 0.257 436 N C 0.780 176.448 175.510 0.263 0.000 0.970 436 N CA -0.774 52.411 53.050 0.224 0.000 0.938 436 N CB 1.084 39.719 38.487 0.246 0.000 1.144 436 N HN 0.613 nan 8.380 nan 0.000 0.500 437 R N 2.198 122.848 120.500 0.250 0.000 2.236 437 R HA 0.060 4.401 4.340 0.000 0.000 0.208 437 R C 0.081 176.622 176.300 0.402 0.000 1.036 437 R CA 0.189 56.482 56.100 0.321 0.000 1.001 437 R CB -0.151 30.201 30.300 0.087 0.000 0.896 437 R HN 0.266 nan 8.270 nan 0.000 0.464 438 N N 2.391 121.307 118.700 0.359 0.000 2.405 438 N HA -0.039 4.701 4.740 0.000 0.000 0.260 438 N C 0.271 175.921 175.510 0.234 0.000 1.152 438 N CA 0.462 53.718 53.050 0.343 0.000 0.948 438 N CB 1.565 40.267 38.487 0.358 0.000 1.111 438 N HN 0.326 nan 8.380 nan 0.000 0.485 439 T N 0.447 115.111 114.554 0.184 0.000 3.160 439 T HA 0.037 4.387 4.350 0.000 0.000 0.257 439 T C 0.882 175.625 174.700 0.072 0.000 1.147 439 T CA 0.708 62.881 62.100 0.123 0.000 1.064 439 T CB 0.207 69.134 68.868 0.098 0.000 0.949 439 T HN 0.376 nan 8.240 nan 0.000 0.526 440 Q N 0.321 120.156 119.800 0.058 0.000 2.214 440 Q HA 0.394 4.734 4.340 0.000 0.000 0.229 440 Q C -0.118 175.876 176.000 -0.009 0.000 0.835 440 Q CA 0.092 55.907 55.803 0.020 0.000 0.953 440 Q CB 1.292 30.034 28.738 0.007 0.000 1.131 440 Q HN 0.423 nan 8.270 nan 0.000 0.501 441 S N 0.162 115.851 115.700 -0.018 0.000 2.521 441 S HA 0.543 5.013 4.470 0.000 0.000 0.295 441 S C -0.369 174.114 174.600 -0.195 0.000 1.098 441 S CA -0.408 57.700 58.200 -0.152 0.000 0.999 441 S CB 2.174 65.212 63.200 -0.270 0.000 1.034 441 S HN -0.054 nan 8.310 nan 0.000 0.483 442 S N 1.529 117.089 115.700 -0.232 0.000 2.646 442 S HA 0.658 5.128 4.470 0.000 0.000 0.276 442 S C -1.339 173.038 174.600 -0.371 0.000 1.222 442 S CA -0.446 57.658 58.200 -0.160 0.000 1.014 442 S CB 0.386 63.544 63.200 -0.070 0.000 0.991 442 S HN 0.596 nan 8.310 nan 0.000 0.533 443 Y N 0.275 120.558 120.300 -0.028 0.000 2.425 443 Y HA 0.354 4.904 4.550 0.000 0.000 0.344 443 Y C 0.326 176.121 175.900 -0.176 0.000 0.969 443 Y CA -0.692 57.365 58.100 -0.072 0.000 1.052 443 Y CB 1.622 40.029 38.460 -0.088 0.000 1.215 443 Y HN 0.478 nan 8.280 nan 0.000 0.451 444 S N 4.385 120.087 115.700 0.002 0.000 2.481 444 S HA 0.371 4.842 4.470 0.000 0.000 0.276 444 S C -0.397 174.037 174.600 -0.277 0.000 1.247 444 S CA -0.370 57.757 58.200 -0.123 0.000 1.053 444 S CB -0.085 63.098 63.200 -0.029 0.000 0.925 444 S HN 0.290 nan 8.310 nan 0.000 0.491 445 I N 4.374 124.566 120.570 -0.630 0.000 2.330 445 I HA 0.288 4.458 4.170 0.000 0.000 0.286 445 I C 0.515 176.336 176.117 -0.494 0.000 1.025 445 I CA -0.282 60.471 61.300 -0.912 0.000 1.197 445 I CB 0.339 37.392 38.000 -1.578 0.000 1.358 445 I HN 0.587 nan 8.210 nan 0.000 0.467 446 S N 2.763 118.423 115.700 -0.067 0.000 2.600 446 S HA 0.811 5.281 4.470 0.000 0.000 0.300 446 S C 0.684 175.435 174.600 0.253 0.000 1.087 446 S CA -0.030 58.213 58.200 0.071 0.000 0.965 446 S CB 2.203 65.453 63.200 0.084 0.000 1.089 446 S HN 1.118 nan 8.310 nan 0.000 0.496 447 G N -0.134 108.769 108.800 0.172 0.000 2.148 447 G HA2 -0.212 3.748 3.960 0.000 0.000 0.254 447 G HA3 -0.212 3.748 3.960 0.000 0.000 0.254 447 G C -0.264 174.772 174.900 0.228 0.000 0.981 447 G CA 0.235 45.442 45.100 0.179 0.000 0.670 447 G HN 1.164 nan 8.290 nan 0.000 0.528 448 L N 1.053 122.414 121.223 0.230 0.000 2.360 448 L HA 0.611 4.951 4.340 0.000 0.000 0.276 448 L C 0.252 177.199 176.870 0.130 0.000 1.121 448 L CA -0.309 54.673 54.840 0.237 0.000 0.845 448 L CB 0.852 43.018 42.059 0.178 0.000 1.143 448 L HN 0.255 nan 8.230 nan 0.000 0.452 449 Q N 3.306 123.177 119.800 0.119 0.000 2.297 449 Q HA 0.594 4.934 4.340 0.000 0.000 0.268 449 Q C -0.628 175.400 176.000 0.046 0.000 1.045 449 Q CA -0.486 55.356 55.803 0.065 0.000 0.861 449 Q CB 2.158 30.933 28.738 0.061 0.000 1.344 449 Q HN 0.749 nan 8.270 nan 0.000 0.452 450 T N -1.493 113.068 114.554 0.011 0.000 2.821 450 T HA 0.578 4.929 4.350 0.000 0.000 0.306 450 T C -0.823 173.865 174.700 -0.020 0.000 1.313 450 T CA 0.230 62.323 62.100 -0.012 0.000 1.012 450 T CB 1.382 70.209 68.868 -0.067 0.000 1.298 450 T HN 0.505 nan 8.240 nan 0.000 0.502 451 A N 2.061 124.868 122.820 -0.022 0.000 2.308 451 A HA 0.492 4.812 4.320 0.000 0.000 0.217 451 A C 0.731 178.285 177.584 -0.049 0.000 1.216 451 A CA -0.150 51.875 52.037 -0.020 0.000 0.864 451 A CB -0.475 18.527 19.000 0.003 0.000 0.902 451 A HN 0.691 nan 8.150 nan 0.000 0.499 452 L N 1.523 122.690 121.223 -0.093 0.000 2.485 452 L HA 0.165 4.505 4.340 0.000 0.000 0.275 452 L C -2.044 174.761 176.870 -0.108 0.000 1.207 452 L CA -1.569 53.182 54.840 -0.148 0.000 0.855 452 L CB 0.325 42.166 42.059 -0.365 0.000 1.114 452 L HN 0.114 nan 8.230 nan 0.000 0.485 453 P HA 0.036 nan 4.420 nan 0.000 0.270 453 P C -0.880 176.421 177.300 0.002 0.000 1.223 453 P CA -0.444 62.558 63.100 -0.163 0.000 0.785 453 P CB 0.306 31.750 31.700 -0.427 0.000 0.923 454 N N 0.309 118.997 118.700 -0.020 0.000 2.353 454 N HA 0.380 5.120 4.740 0.000 0.000 0.248 454 N C 0.789 176.298 175.510 -0.002 0.000 1.240 454 N CA 1.201 54.257 53.050 0.010 0.000 0.862 454 N CB -0.181 38.295 38.487 -0.017 0.000 1.086 454 N HN 0.732 nan 8.380 nan 0.000 0.453 455 G N -0.686 108.114 108.800 0.000 0.000 2.368 455 G HA2 0.114 4.074 3.960 0.000 0.000 0.302 455 G HA3 0.114 4.074 3.960 0.000 0.000 0.302 455 G C -1.509 173.312 174.900 -0.131 0.000 1.329 455 G CA -0.811 44.210 45.100 -0.131 0.000 0.935 455 G HN 0.432 nan 8.290 nan 0.000 0.590 456 S N -0.328 115.234 115.700 -0.229 0.000 2.462 456 S HA 0.720 5.190 4.470 0.000 0.000 0.294 456 S C -1.327 173.109 174.600 -0.274 0.000 1.144 456 S CA -0.231 57.881 58.200 -0.147 0.000 1.088 456 S CB 0.904 64.049 63.200 -0.092 0.000 1.009 456 S HN 0.447 nan 8.310 nan 0.000 0.484 457 Y N 1.224 121.502 120.300 -0.037 0.000 2.331 457 Y HA 0.580 5.130 4.550 0.000 0.000 0.334 457 Y C 0.389 176.380 175.900 0.152 0.000 0.960 457 Y CA -0.819 57.323 58.100 0.070 0.000 1.130 457 Y CB 1.198 39.718 38.460 0.100 0.000 1.164 457 Y HN 0.756 nan 8.280 nan 0.000 0.458 458 A N 1.837 124.824 122.820 0.279 0.000 2.322 458 A HA 0.311 4.631 4.320 0.000 0.000 0.269 458 A C -0.386 177.386 177.584 0.314 0.000 1.094 458 A CA -0.575 51.601 52.037 0.233 0.000 0.807 458 A CB 0.253 19.318 19.000 0.109 0.000 1.047 458 A HN 0.754 nan 8.150 nan 0.000 0.487 459 D N 0.008 120.533 120.400 0.208 0.000 2.450 459 D HA -0.061 4.579 4.640 0.000 0.000 0.247 459 D C 0.607 176.919 176.300 0.021 0.000 1.162 459 D CA 0.412 54.418 54.000 0.010 0.000 0.879 459 D CB 0.127 40.902 40.800 -0.042 0.000 1.163 459 D HN 0.486 nan 8.370 nan 0.000 0.472 460 Y N 3.303 123.524 120.300 -0.133 0.000 2.403 460 Y HA -0.035 4.515 4.550 0.000 0.000 0.291 460 Y C 1.515 177.360 175.900 -0.091 0.000 1.143 460 Y CA 1.246 59.295 58.100 -0.083 0.000 1.257 460 Y CB 0.138 38.539 38.460 -0.099 0.000 0.984 460 Y HN 0.525 nan 8.280 nan 0.000 0.550 461 L N -0.518 120.696 121.223 -0.015 0.000 2.591 461 L HA -0.008 4.332 4.340 0.000 0.000 0.228 461 L C 0.997 177.820 176.870 -0.078 0.000 1.133 461 L CA 0.640 55.446 54.840 -0.058 0.000 0.880 461 L CB -0.304 41.720 42.059 -0.058 0.000 1.033 461 L HN 0.039 nan 8.230 nan 0.000 0.450 462 S N 0.328 115.982 115.700 -0.077 0.000 3.581 462 S HA -0.232 4.238 4.470 0.000 0.000 0.354 462 S C 1.306 175.888 174.600 -0.031 0.000 1.059 462 S CA 0.632 58.799 58.200 -0.055 0.000 1.060 462 S CB -1.726 61.429 63.200 -0.075 0.000 0.908 462 S HN 0.853 nan 8.310 nan 0.000 0.475 463 G N -0.587 108.198 108.800 -0.024 0.000 2.148 463 G HA2 -0.371 3.589 3.960 0.000 0.000 0.254 463 G HA3 -0.371 3.589 3.960 0.000 0.000 0.254 463 G C 0.642 175.535 174.900 -0.011 0.000 0.981 463 G CA 0.647 45.743 45.100 -0.007 0.000 0.670 463 G HN 0.951 nan 8.290 nan 0.000 0.528 464 L N -0.162 121.043 121.223 -0.029 0.000 2.043 464 L HA 0.155 4.495 4.340 0.000 0.000 0.212 464 L C 2.096 178.950 176.870 -0.027 0.000 1.075 464 L CA 2.369 57.189 54.840 -0.034 0.000 0.752 464 L CB -0.109 41.916 42.059 -0.056 0.000 0.891 464 L HN 0.403 nan 8.230 nan 0.000 0.432 465 L N -0.678 120.531 121.223 -0.024 0.000 2.928 465 L HA 0.378 4.718 4.340 0.000 0.000 0.246 465 L C 1.157 178.049 176.870 0.036 0.000 1.239 465 L CA 0.297 55.143 54.840 0.010 0.000 1.035 465 L CB -0.416 41.643 42.059 -0.000 0.000 1.360 465 L HN 0.458 nan 8.230 nan 0.000 0.529 466 G N -0.009 108.810 108.800 0.032 0.000 2.136 466 G HA2 -0.231 3.729 3.960 0.000 0.000 0.242 466 G HA3 -0.231 3.729 3.960 0.000 0.000 0.242 466 G C 0.582 175.514 174.900 0.053 0.000 0.989 466 G CA -0.082 45.048 45.100 0.050 0.000 0.682 466 G HN 0.547 nan 8.290 nan 0.000 0.522 467 G N -0.005 108.807 108.800 0.020 0.000 2.606 467 G HA2 0.542 4.502 3.960 0.000 0.000 0.252 467 G HA3 0.542 4.502 3.960 0.000 0.000 0.252 467 G C 0.177 175.119 174.900 0.070 0.000 1.206 467 G CA 0.279 45.385 45.100 0.009 0.000 0.861 467 G HN 1.049 nan 8.290 nan 0.000 0.561 468 N N -0.889 117.898 118.700 0.144 0.000 2.697 468 N HA 0.547 5.287 4.740 0.000 0.000 0.272 468 N C -0.160 175.509 175.510 0.266 0.000 1.381 468 N CA -0.608 52.541 53.050 0.165 0.000 0.797 468 N CB 1.464 40.048 38.487 0.163 0.000 1.523 468 N HN 0.661 nan 8.380 nan 0.000 0.518 469 G N -0.372 108.518 108.800 0.150 0.000 2.451 469 G HA2 0.600 4.560 3.960 0.000 0.000 0.303 469 G HA3 0.600 4.560 3.960 0.000 0.000 0.303 469 G C 0.040 174.862 174.900 -0.130 0.000 1.166 469 G CA -0.854 44.324 45.100 0.130 0.000 0.884 469 G HN 0.728 nan 8.290 nan 0.000 0.514 470 I N -2.066 118.313 120.570 -0.319 0.000 3.042 470 I HA 0.802 4.972 4.170 0.000 0.000 0.310 470 I C -0.529 175.445 176.117 -0.238 0.000 1.117 470 I CA -1.119 59.860 61.300 -0.535 0.000 1.003 470 I CB 2.556 39.858 38.000 -1.162 0.000 1.228 470 I HN 0.442 nan 8.210 nan 0.000 0.443 471 S N 2.552 118.141 115.700 -0.186 0.000 2.552 471 S HA 0.716 5.186 4.470 0.000 0.000 0.314 471 S C -0.946 173.618 174.600 -0.059 0.000 1.099 471 S CA -0.448 57.709 58.200 -0.071 0.000 1.070 471 S CB 1.347 64.519 63.200 -0.048 0.000 0.998 471 S HN 0.496 nan 8.310 nan 0.000 0.474 472 V N 4.077 123.996 119.914 0.008 0.000 2.459 472 V HA 0.735 4.855 4.120 0.000 0.000 0.295 472 V C -0.012 176.088 176.094 0.011 0.000 1.029 472 V CA -0.586 61.717 62.300 0.005 0.000 0.874 472 V CB 1.629 33.486 31.823 0.057 0.000 0.985 472 V HN 0.835 nan 8.190 nan 0.000 0.438 473 S N 4.325 120.023 115.700 -0.004 0.000 2.733 473 S HA 0.418 4.888 4.470 0.000 0.000 0.294 473 S C 0.001 174.599 174.600 -0.004 0.000 1.149 473 S CA -0.639 57.559 58.200 -0.003 0.000 1.034 473 S CB 0.366 63.565 63.200 -0.003 0.000 1.015 473 S HN 0.843 nan 8.310 nan 0.000 0.486 474 N N 3.198 121.894 118.700 -0.006 0.000 2.714 474 N HA -0.203 4.537 4.740 0.000 0.000 0.252 474 N C 0.892 176.399 175.510 -0.005 0.000 1.014 474 N CA 1.577 54.624 53.050 -0.005 0.000 0.735 474 N CB -1.504 36.982 38.487 -0.002 0.000 0.924 474 N HN 1.513 nan 8.380 nan 0.000 0.540 475 G N -1.830 106.964 108.800 -0.010 0.000 2.179 475 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 475 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 475 G C -0.015 174.883 174.900 -0.004 0.000 0.977 475 G CA 0.665 45.759 45.100 -0.010 0.000 0.641 475 G HN 0.947 nan 8.290 nan 0.000 0.533 476 S N -0.596 115.102 115.700 -0.003 0.000 2.473 476 S HA 0.669 5.139 4.470 0.000 0.000 0.307 476 S C 0.088 174.682 174.600 -0.011 0.000 1.094 476 S CA -0.321 57.882 58.200 0.006 0.000 1.070 476 S CB 1.730 64.940 63.200 0.015 0.000 1.019 476 S HN 0.838 nan 8.310 nan 0.000 0.480 477 V N 4.739 124.648 119.914 -0.009 0.000 2.406 477 V HA 0.569 4.689 4.120 0.000 0.000 0.272 477 V C 0.898 177.006 176.094 0.023 0.000 1.043 477 V CA -0.715 61.561 62.300 -0.040 0.000 0.915 477 V CB 0.661 32.439 31.823 -0.075 0.000 0.988 477 V HN 1.073 nan 8.190 nan 0.000 0.466 478 A N 4.409 127.234 122.820 0.009 0.000 2.531 478 A HA 0.321 4.641 4.320 0.000 0.000 0.236 478 A C 0.858 178.517 177.584 0.126 0.000 1.062 478 A CA 0.035 52.099 52.037 0.046 0.000 0.760 478 A CB -0.037 18.977 19.000 0.022 0.000 0.995 478 A HN 0.835 nan 8.150 nan 0.000 0.501 479 S N 0.773 116.525 115.700 0.086 0.000 2.558 479 S HA 0.414 4.884 4.470 0.000 0.000 0.293 479 S C -0.269 174.410 174.600 0.131 0.000 1.292 479 S CA 0.788 59.018 58.200 0.051 0.000 1.063 479 S CB -0.442 62.761 63.200 0.006 0.000 0.831 479 S HN 0.897 nan 8.310 nan 0.000 0.499 480 F N -1.001 118.910 119.950 -0.066 0.000 2.685 480 F HA 0.670 5.197 4.527 0.000 0.000 0.315 480 F C -0.611 175.165 175.800 -0.039 0.000 1.126 480 F CA -1.158 56.813 58.000 -0.050 0.000 0.950 480 F CB 0.837 39.799 39.000 -0.064 0.000 1.360 480 F HN 0.245 nan 8.300 nan 0.000 0.469 481 T N 3.043 117.672 114.554 0.125 0.000 2.767 481 T HA 0.509 4.859 4.350 0.000 0.000 0.284 481 T C -0.992 173.819 174.700 0.185 0.000 0.973 481 T CA -0.285 61.831 62.100 0.027 0.000 0.996 481 T CB 1.147 70.048 68.868 0.055 0.000 0.927 481 T HN 0.685 nan 8.240 nan 0.000 0.456 482 L N 4.409 125.670 121.223 0.064 0.000 2.260 482 L HA 0.677 5.017 4.340 0.000 0.000 0.289 482 L C 0.461 177.421 176.870 0.150 0.000 1.057 482 L CA -0.351 54.612 54.840 0.204 0.000 0.811 482 L CB -0.124 42.021 42.059 0.143 0.000 1.184 482 L HN 0.773 nan 8.230 nan 0.000 0.429 483 A N 6.818 129.729 122.820 0.152 0.000 2.386 483 A HA 0.512 4.832 4.320 0.000 0.000 0.246 483 A C -2.305 175.346 177.584 0.110 0.000 1.089 483 A CA -1.023 51.078 52.037 0.107 0.000 0.790 483 A CB -0.766 18.294 19.000 0.101 0.000 1.042 483 A HN 0.680 nan 8.150 nan 0.000 0.497 484 P HA 0.230 nan 4.420 nan 0.000 0.263 484 P C 0.840 178.214 177.300 0.122 0.000 1.195 484 P CA 1.802 64.957 63.100 0.091 0.000 0.762 484 P CB 0.400 32.133 31.700 0.056 0.000 0.799 485 G N 2.200 111.099 108.800 0.164 0.000 2.166 485 G HA2 -0.194 3.767 3.960 0.000 0.000 0.260 485 G HA3 -0.194 3.767 3.960 0.000 0.000 0.260 485 G C 0.459 175.459 174.900 0.168 0.000 0.986 485 G CA 0.098 45.308 45.100 0.182 0.000 0.683 485 G HN 0.849 nan 8.290 nan 0.000 0.527 486 A N -0.975 121.937 122.820 0.153 0.000 2.304 486 A HA 0.775 5.096 4.320 0.000 0.000 0.271 486 A C 0.214 177.859 177.584 0.102 0.000 1.091 486 A CA 0.207 52.315 52.037 0.120 0.000 0.812 486 A CB 1.399 20.468 19.000 0.116 0.000 1.056 486 A HN 1.162 nan 8.150 nan 0.000 0.489 487 V N 1.079 121.020 119.914 0.044 0.000 2.531 487 V HA 0.625 4.745 4.120 0.000 0.000 0.301 487 V C 0.031 176.044 176.094 -0.136 0.000 1.034 487 V CA -0.311 61.975 62.300 -0.024 0.000 0.865 487 V CB 1.545 33.354 31.823 -0.023 0.000 0.995 487 V HN 0.905 nan 8.190 nan 0.000 0.424 488 S N 3.381 118.901 115.700 -0.300 0.000 2.547 488 S HA 0.848 5.318 4.470 0.000 0.000 0.281 488 S C -1.229 172.726 174.600 -1.074 0.000 1.118 488 S CA -0.414 57.416 58.200 -0.617 0.000 0.947 488 S CB 1.820 64.698 63.200 -0.537 0.000 1.053 488 S HN 0.477 nan 8.310 nan 0.000 0.482 489 V N 5.172 124.451 119.914 -1.059 0.000 2.577 489 V HA 0.602 4.723 4.120 0.000 0.000 0.303 489 V C -1.190 174.441 176.094 -0.770 0.000 1.042 489 V CA -0.621 61.179 62.300 -0.832 0.000 0.872 489 V CB 1.698 33.288 31.823 -0.388 0.000 0.998 489 V HN 0.826 nan 8.190 nan 0.000 0.423 490 W N 4.347 125.585 121.300 -0.103 0.000 2.600 490 W HA 0.715 5.375 4.660 0.000 0.000 0.325 490 W C -0.329 176.112 176.519 -0.131 0.000 1.034 490 W CA -0.737 56.552 57.345 -0.092 0.000 1.226 490 W CB 2.094 31.420 29.460 -0.222 0.000 1.379 490 W HN 0.696 nan 8.180 nan 0.000 0.466 491 Q N 1.677 121.590 119.800 0.190 0.000 2.421 491 Q HA 0.683 5.023 4.340 0.000 0.000 0.280 491 Q C -2.065 174.127 176.000 0.320 0.000 1.085 491 Q CA -0.992 54.882 55.803 0.119 0.000 0.807 491 Q CB 3.148 31.851 28.738 -0.058 0.000 1.405 491 Q HN 0.350 nan 8.270 nan 0.000 0.419 492 Y N 0.896 121.269 120.300 0.120 0.000 2.421 492 Y HA 0.720 5.270 4.550 0.000 0.000 0.339 492 Y C -1.553 174.410 175.900 0.105 0.000 0.996 492 Y CA -0.197 58.012 58.100 0.183 0.000 1.046 492 Y CB 2.175 40.773 38.460 0.231 0.000 1.226 492 Y HN 1.020 nan 8.280 nan 0.000 0.445 493 S N 3.678 119.004 115.700 -0.624 0.000 2.564 493 S HA 0.871 5.341 4.470 0.000 0.000 0.274 493 S C -0.965 173.255 174.600 -0.635 0.000 1.124 493 S CA -0.577 57.352 58.200 -0.452 0.000 0.869 493 S CB 2.183 65.273 63.200 -0.184 0.000 1.105 493 S HN 0.891 nan 8.310 nan 0.000 0.472 494 T N 0.419 114.783 114.554 -0.317 0.000 2.769 494 T HA 0.628 4.978 4.350 0.000 0.000 0.306 494 T C -0.659 174.006 174.700 -0.059 0.000 1.400 494 T CA -0.195 61.790 62.100 -0.191 0.000 1.007 494 T CB 1.259 70.057 68.868 -0.116 0.000 1.392 494 T HN 1.404 nan 8.240 nan 0.000 0.500 495 S N 1.561 117.240 115.700 -0.035 0.000 2.579 495 S HA 0.644 5.115 4.470 0.000 0.000 0.275 495 S C 0.414 175.007 174.600 -0.012 0.000 1.345 495 S CA -0.436 57.750 58.200 -0.023 0.000 1.031 495 S CB 0.604 63.793 63.200 -0.018 0.000 0.892 495 S HN 1.087 nan 8.310 nan 0.000 0.529 496 A N 1.571 124.369 122.820 -0.036 0.000 2.310 496 A HA 0.585 4.905 4.320 0.000 0.000 0.299 496 A C 1.010 178.564 177.584 -0.049 0.000 1.147 496 A CA -0.355 51.646 52.037 -0.060 0.000 0.818 496 A CB 0.547 19.471 19.000 -0.126 0.000 1.096 496 A HN 1.293 nan 8.150 nan 0.000 0.495 497 S N 0.338 116.011 115.700 -0.045 0.000 2.556 497 S HA 0.552 5.022 4.470 0.000 0.000 0.216 497 S C 0.459 175.042 174.600 -0.029 0.000 0.970 497 S CA 0.397 58.584 58.200 -0.022 0.000 0.912 497 S CB -0.218 62.979 63.200 -0.005 0.000 0.790 497 S HN 1.776 nan 8.310 nan 0.000 0.504 498 A N 1.658 124.436 122.820 -0.069 0.000 2.609 498 A HA 0.777 5.097 4.320 0.000 0.000 0.291 498 A C -3.263 174.265 177.584 -0.093 0.000 1.096 498 A CA -1.867 50.134 52.037 -0.060 0.000 0.684 498 A CB 0.660 19.613 19.000 -0.078 0.000 1.282 498 A HN 0.130 nan 8.150 nan 0.000 0.412 499 P HA 0.300 nan 4.420 nan 0.000 0.271 499 P C -1.253 176.013 177.300 -0.057 0.000 1.220 499 P CA 0.374 63.534 63.100 0.099 0.000 0.768 499 P CB 0.581 32.429 31.700 0.248 0.000 0.848 500 Q N 2.793 122.541 119.800 -0.086 0.000 2.303 500 Q HA 0.473 4.813 4.340 0.000 0.000 0.267 500 Q C -0.416 175.695 176.000 0.185 0.000 1.011 500 Q CA -0.524 55.152 55.803 -0.212 0.000 0.740 500 Q CB 1.872 30.247 28.738 -0.605 0.000 1.250 500 Q HN 0.462 nan 8.270 nan 0.000 0.458 501 I N 1.540 122.269 120.570 0.265 0.000 2.352 501 I HA 0.168 4.338 4.170 0.000 0.000 0.290 501 I C 1.102 177.309 176.117 0.149 0.000 1.036 501 I CA 0.117 61.536 61.300 0.198 0.000 1.336 501 I CB 1.169 39.235 38.000 0.110 0.000 1.407 501 I HN 0.877 nan 8.210 nan 0.000 0.497 502 G N 3.710 112.247 108.800 -0.438 0.000 2.510 502 G HA2 0.031 3.991 3.960 0.000 0.000 0.212 502 G HA3 0.031 3.991 3.960 0.000 0.000 0.212 502 G C 0.433 174.878 174.900 -0.759 0.000 1.151 502 G CA 0.253 44.548 45.100 -1.343 0.000 0.817 502 G HN 0.526 nan 8.290 nan 0.000 0.534 503 S N -1.169 114.108 115.700 -0.705 0.000 2.533 503 S HA 0.554 5.024 4.470 0.000 0.000 0.271 503 S C -1.804 172.300 174.600 -0.827 0.000 1.143 503 S CA -0.504 57.280 58.200 -0.692 0.000 0.891 503 S CB 1.955 65.026 63.200 -0.215 0.000 1.105 503 S HN 0.164 nan 8.310 nan 0.000 0.468 504 V N 2.991 122.224 119.914 -1.135 0.000 2.444 504 V HA 0.933 5.053 4.120 0.000 0.000 0.294 504 V C 0.066 176.001 176.094 -0.264 0.000 1.022 504 V CA -0.095 61.862 62.300 -0.571 0.000 0.850 504 V CB 0.941 32.508 31.823 -0.428 0.000 0.992 504 V HN 1.174 nan 8.190 nan 0.000 0.426 505 A N 6.790 129.512 122.820 -0.163 0.000 2.549 505 A HA 0.997 5.317 4.320 0.000 0.000 0.297 505 A C -3.113 174.414 177.584 -0.096 0.000 1.061 505 A CA -1.631 50.348 52.037 -0.097 0.000 0.690 505 A CB 2.181 21.153 19.000 -0.048 0.000 1.287 505 A HN 0.568 nan 8.150 nan 0.000 0.402 506 P HA 0.190 nan 4.420 nan 0.000 0.274 506 P C -0.016 177.188 177.300 -0.160 0.000 1.264 506 P CA -0.026 62.865 63.100 -0.347 0.000 0.795 506 P CB 0.388 31.406 31.700 -1.137 0.000 1.064 507 N N -1.597 116.920 118.700 -0.305 0.000 2.280 507 N HA 0.214 4.954 4.740 0.000 0.000 0.192 507 N C 0.343 175.558 175.510 -0.492 0.000 1.109 507 N CA 0.098 52.962 53.050 -0.310 0.000 0.855 507 N CB 0.117 38.273 38.487 -0.552 0.000 0.974 507 N HN 0.332 nan 8.380 nan 0.000 0.482 508 M N -0.115 119.175 119.600 -0.516 0.000 2.520 508 M HA 0.570 5.050 4.480 0.000 0.000 0.280 508 M C -1.632 174.526 176.300 -0.236 0.000 1.232 508 M CA -0.468 54.540 55.300 -0.487 0.000 0.892 508 M CB 2.019 34.536 32.600 -0.139 0.000 1.728 508 M HN 0.101 nan 8.290 nan 0.000 0.475 509 G N 2.563 111.299 108.800 -0.106 0.000 2.315 509 G HA2 0.455 4.415 3.960 0.000 0.000 0.294 509 G HA3 0.455 4.415 3.960 0.000 0.000 0.294 509 G C -2.039 172.956 174.900 0.158 0.000 1.300 509 G CA -0.565 44.628 45.100 0.155 0.000 0.843 509 G HN 1.106 nan 8.290 nan 0.000 0.527 510 I N -2.194 118.470 120.570 0.157 0.000 3.023 510 I HA 0.765 4.935 4.170 0.000 0.000 0.312 510 I C -2.673 173.501 176.117 0.095 0.000 1.056 510 I CA -3.013 58.353 61.300 0.111 0.000 1.033 510 I CB 2.115 40.162 38.000 0.077 0.000 1.233 510 I HN 0.207 nan 8.210 nan 0.000 0.462 511 P HA 0.091 nan 4.420 nan 0.000 0.263 511 P C 0.725 178.033 177.300 0.013 0.000 1.175 511 P CA 1.403 64.504 63.100 0.002 0.000 0.761 511 P CB 0.495 32.189 31.700 -0.010 0.000 0.794 512 G N 1.989 110.794 108.800 0.008 0.000 2.234 512 G HA2 -0.240 3.720 3.960 0.000 0.000 0.235 512 G HA3 -0.240 3.720 3.960 0.000 0.000 0.235 512 G C 0.317 175.304 174.900 0.145 0.000 0.997 512 G CA -0.308 44.818 45.100 0.044 0.000 0.623 512 G HN 0.598 nan 8.290 nan 0.000 0.514 513 N N -0.015 118.753 118.700 0.113 0.000 2.415 513 N HA 0.369 5.110 4.740 0.000 0.000 0.248 513 N C 0.147 175.715 175.510 0.096 0.000 1.271 513 N CA 0.033 53.158 53.050 0.125 0.000 0.913 513 N CB 1.208 39.775 38.487 0.133 0.000 1.129 513 N HN 0.082 nan 8.380 nan 0.000 0.444 514 V N 2.281 122.225 119.914 0.050 0.000 2.498 514 V HA 0.225 4.345 4.120 0.000 0.000 0.279 514 V C 0.207 176.247 176.094 -0.089 0.000 1.048 514 V CA -0.276 61.964 62.300 -0.101 0.000 0.967 514 V CB 1.299 33.055 31.823 -0.111 0.000 0.988 514 V HN 0.300 nan 8.190 nan 0.000 0.473 515 V N 3.923 123.752 119.914 -0.142 0.000 2.656 515 V HA 0.502 4.622 4.120 0.000 0.000 0.307 515 V C 0.032 176.032 176.094 -0.157 0.000 1.051 515 V CA -0.418 61.801 62.300 -0.134 0.000 0.893 515 V CB 2.573 34.287 31.823 -0.182 0.000 0.999 515 V HN 0.921 nan 8.190 nan 0.000 0.426 516 T N 5.700 120.165 114.554 -0.149 0.000 2.797 516 T HA 0.649 4.999 4.350 0.000 0.000 0.279 516 T C -0.363 174.217 174.700 -0.199 0.000 0.991 516 T CA -0.122 61.882 62.100 -0.160 0.000 0.979 516 T CB 0.919 69.718 68.868 -0.115 0.000 0.943 516 T HN 0.385 nan 8.240 nan 0.000 0.444 517 I N 3.383 123.812 120.570 -0.234 0.000 2.330 517 I HA 0.328 4.498 4.170 0.000 0.000 0.289 517 I C -0.154 175.888 176.117 -0.126 0.000 1.001 517 I CA -0.628 60.509 61.300 -0.271 0.000 1.193 517 I CB 1.072 38.827 38.000 -0.409 0.000 1.345 517 I HN 0.446 nan 8.210 nan 0.000 0.461 518 D N 5.109 125.443 120.400 -0.110 0.000 2.192 518 D HA 0.710 5.350 4.640 0.000 0.000 0.246 518 D C 0.187 176.432 176.300 -0.091 0.000 1.042 518 D CA 0.074 54.062 54.000 -0.021 0.000 0.847 518 D CB 2.555 43.351 40.800 -0.006 0.000 1.186 518 D HN 0.779 nan 8.370 nan 0.000 0.461 519 G N 1.168 109.895 108.800 -0.121 0.000 2.485 519 G HA2 0.348 4.308 3.960 0.000 0.000 0.182 519 G HA3 0.348 4.308 3.960 0.000 0.000 0.182 519 G C -1.364 173.210 174.900 -0.543 0.000 1.172 519 G CA -0.562 44.335 45.100 -0.338 0.000 0.996 519 G HN 0.339 nan 8.290 nan 0.000 0.496 520 K N -1.072 118.899 120.400 -0.716 0.000 2.536 520 K HA 0.548 4.868 4.320 0.000 0.000 0.269 520 K C 0.286 176.490 176.600 -0.659 0.000 0.965 520 K CA -0.314 55.639 56.287 -0.556 0.000 0.860 520 K CB 2.432 34.861 32.500 -0.119 0.000 1.423 520 K HN 1.927 nan 8.250 nan 0.000 0.438 521 G N 0.962 109.528 108.800 -0.390 0.000 2.160 521 G HA2 -0.242 3.718 3.960 0.000 0.000 0.251 521 G HA3 -0.242 3.718 3.960 0.000 0.000 0.251 521 G C 0.135 175.046 174.900 0.019 0.000 1.008 521 G CA 0.215 45.213 45.100 -0.169 0.000 0.724 521 G HN 0.433 nan 8.290 nan 0.000 0.514 522 F N 0.916 120.866 119.950 0.001 0.000 2.615 522 F HA 0.426 4.953 4.527 0.000 0.000 0.297 522 F C 1.972 177.979 175.800 0.345 0.000 1.124 522 F CA 0.671 58.716 58.000 0.076 0.000 1.451 522 F CB -0.593 38.244 39.000 -0.271 0.000 1.103 522 F HN 1.108 nan 8.300 nan 0.000 0.569 523 G N 0.176 109.198 108.800 0.370 0.000 2.781 523 G HA2 -0.195 3.765 3.960 0.000 0.000 0.683 523 G HA3 -0.195 3.765 3.960 0.000 0.000 0.683 523 G C 0.717 175.852 174.900 0.392 0.000 1.390 523 G CA -0.050 45.237 45.100 0.311 0.000 0.850 523 G HN 0.373 nan 8.290 nan 0.000 0.557 524 T N -3.203 111.486 114.554 0.225 0.000 3.051 524 T HA 0.315 4.665 4.350 0.000 0.000 0.255 524 T C 1.198 175.966 174.700 0.113 0.000 1.085 524 T CA 1.618 63.841 62.100 0.205 0.000 1.109 524 T CB 0.136 69.071 68.868 0.110 0.000 0.921 524 T HN 0.920 nan 8.240 nan 0.000 0.488 525 T N 3.170 117.724 114.554 -0.001 0.000 2.780 525 T HA 0.271 4.621 4.350 0.000 0.000 0.294 525 T C -0.196 174.159 174.700 -0.574 0.000 0.949 525 T CA -0.466 61.526 62.100 -0.181 0.000 1.074 525 T CB 1.386 70.176 68.868 -0.131 0.000 0.910 525 T HN 0.408 nan 8.240 nan 0.000 0.501 526 Q N 2.227 121.584 119.800 -0.738 0.000 2.263 526 Q HA 0.301 4.641 4.340 0.000 0.000 0.289 526 Q C 0.664 175.937 176.000 -1.213 0.000 1.061 526 Q CA -0.168 54.819 55.803 -1.360 0.000 0.927 526 Q CB 0.237 28.598 28.738 -0.628 0.000 1.154 526 Q HN 0.907 nan 8.270 nan 0.000 0.378 527 G N 2.292 109.919 108.800 -1.956 0.000 3.134 527 G HA2 0.512 4.472 3.960 0.000 0.000 0.158 527 G HA3 0.512 4.472 3.960 0.000 0.000 0.158 527 G C -0.736 173.893 174.900 -0.453 0.000 1.334 527 G CA 0.170 44.773 45.100 -0.829 0.000 1.001 527 G HN 0.709 nan 8.290 nan 0.000 0.600 528 T N -3.031 111.515 114.554 -0.013 0.000 2.906 528 T HA 0.655 5.005 4.350 0.000 0.000 0.295 528 T C -1.228 173.604 174.700 0.220 0.000 1.061 528 T CA -0.652 61.515 62.100 0.111 0.000 1.000 528 T CB 1.966 70.860 68.868 0.044 0.000 1.103 528 T HN 0.505 nan 8.240 nan 0.000 0.486 529 V N 2.235 122.253 119.914 0.174 0.000 2.588 529 V HA 0.780 4.900 4.120 0.000 0.000 0.304 529 V C 0.122 176.294 176.094 0.130 0.000 1.042 529 V CA -0.726 61.636 62.300 0.103 0.000 0.877 529 V CB 1.969 33.838 31.823 0.076 0.000 0.996 529 V HN 1.316 nan 8.190 nan 0.000 0.425 530 T N 0.718 115.329 114.554 0.096 0.000 2.907 530 T HA 0.781 5.131 4.350 0.000 0.000 0.292 530 T C -1.098 173.710 174.700 0.180 0.000 1.043 530 T CA -0.526 61.671 62.100 0.161 0.000 1.003 530 T CB 1.731 70.660 68.868 0.101 0.000 1.084 530 T HN 0.146 nan 8.240 nan 0.000 0.483 531 F N 1.362 121.317 119.950 0.008 0.000 2.382 531 F HA 0.613 5.140 4.527 0.000 0.000 0.361 531 F C 1.333 177.159 175.800 0.043 0.000 1.109 531 F CA -0.660 57.354 58.000 0.023 0.000 1.031 531 F CB 1.061 40.069 39.000 0.014 0.000 1.234 531 F HN 1.133 nan 8.300 nan 0.000 0.445 532 G N 1.930 110.832 108.800 0.170 0.000 2.283 532 G HA2 0.029 3.989 3.960 0.000 0.000 0.280 532 G HA3 0.029 3.989 3.960 0.000 0.000 0.280 532 G C 1.175 176.138 174.900 0.105 0.000 1.029 532 G CA 0.583 45.759 45.100 0.126 0.000 0.840 532 G HN 1.796 nan 8.290 nan 0.000 0.505 533 G N -3.192 105.667 108.800 0.097 0.000 2.199 533 G HA2 -0.085 3.875 3.960 0.000 0.000 0.254 533 G HA3 -0.085 3.875 3.960 0.000 0.000 0.254 533 G C 0.491 175.442 174.900 0.085 0.000 0.982 533 G CA 0.519 45.666 45.100 0.078 0.000 0.632 533 G HN 1.682 nan 8.290 nan 0.000 0.529 534 V N 2.410 122.391 119.914 0.112 0.000 2.461 534 V HA 0.467 4.587 4.120 0.000 0.000 0.275 534 V C 1.042 177.201 176.094 0.108 0.000 1.047 534 V CA 0.162 62.518 62.300 0.093 0.000 0.955 534 V CB 1.284 33.155 31.823 0.079 0.000 0.988 534 V HN 0.303 nan 8.190 nan 0.000 0.471 535 T N 5.109 119.708 114.554 0.074 0.000 2.888 535 T HA 0.432 4.782 4.350 0.000 0.000 0.301 535 T C 0.357 175.098 174.700 0.067 0.000 1.001 535 T CA 0.122 62.268 62.100 0.078 0.000 1.147 535 T CB 0.821 69.719 68.868 0.051 0.000 0.931 535 T HN 0.947 nan 8.240 nan 0.000 0.541 536 A N 3.272 126.153 122.820 0.102 0.000 2.312 536 A HA 0.633 4.953 4.320 0.000 0.000 0.328 536 A C 0.556 178.191 177.584 0.083 0.000 1.158 536 A CA -0.791 51.281 52.037 0.059 0.000 0.821 536 A CB 0.605 19.663 19.000 0.098 0.000 1.170 536 A HN 0.714 nan 8.150 nan 0.000 0.490 537 T N 1.629 116.238 114.554 0.092 0.000 2.834 537 T HA 0.357 4.707 4.350 0.000 0.000 0.298 537 T C 0.150 174.959 174.700 0.182 0.000 0.966 537 T CA 0.034 62.222 62.100 0.147 0.000 1.141 537 T CB 0.384 69.358 68.868 0.177 0.000 0.905 537 T HN 0.392 nan 8.240 nan 0.000 0.535 538 V N 4.789 124.791 119.914 0.147 0.000 2.461 538 V HA 0.224 4.344 4.120 0.000 0.000 0.275 538 V C 1.421 177.578 176.094 0.106 0.000 1.047 538 V CA -0.254 62.119 62.300 0.122 0.000 0.955 538 V CB 1.388 33.324 31.823 0.188 0.000 0.988 538 V HN 0.868 nan 8.190 nan 0.000 0.471 539 K N 2.964 123.349 120.400 -0.025 0.000 2.128 539 K HA 0.105 4.425 4.320 0.000 0.000 0.202 539 K C 0.616 177.226 176.600 0.016 0.000 1.050 539 K CA 0.983 57.248 56.287 -0.038 0.000 0.966 539 K CB 0.420 32.717 32.500 -0.338 0.000 0.759 539 K HN 0.822 nan 8.250 nan 0.000 0.454 540 S N -1.202 114.507 115.700 0.015 0.000 2.550 540 S HA 0.378 4.848 4.470 0.000 0.000 0.270 540 S C -1.896 172.785 174.600 0.136 0.000 1.145 540 S CA -1.017 57.225 58.200 0.070 0.000 0.852 540 S CB 1.215 64.428 63.200 0.022 0.000 1.119 540 S HN 0.301 nan 8.310 nan 0.000 0.465 541 W N 3.511 124.798 121.300 -0.022 0.000 2.968 541 W HA 0.553 5.213 4.660 0.000 0.000 0.337 541 W C -1.112 175.424 176.519 0.028 0.000 1.060 541 W CA -0.197 57.143 57.345 -0.009 0.000 1.240 541 W CB 1.775 31.226 29.460 -0.016 0.000 1.370 541 W HN 1.195 nan 8.180 nan 0.000 0.459 542 T N 0.471 115.060 114.554 0.058 0.000 2.864 542 T HA 0.364 4.714 4.350 0.000 0.000 0.289 542 T C 0.762 175.523 174.700 0.101 0.000 1.082 542 T CA -0.401 61.780 62.100 0.135 0.000 1.009 542 T CB 1.786 70.692 68.868 0.063 0.000 1.234 542 T HN 0.148 nan 8.240 nan 0.000 0.526 543 S N 0.471 116.239 115.700 0.112 0.000 2.383 543 S HA -0.078 4.392 4.470 0.000 0.000 0.229 543 S C 1.303 175.819 174.600 -0.139 0.000 1.030 543 S CA 1.728 59.963 58.200 0.059 0.000 1.002 543 S CB -0.541 62.669 63.200 0.017 0.000 0.829 543 S HN 0.813 nan 8.310 nan 0.000 0.467 544 N N -0.386 118.243 118.700 -0.117 0.000 2.171 544 N HA 0.231 4.971 4.740 0.000 0.000 0.212 544 N C 0.169 175.660 175.510 -0.031 0.000 1.184 544 N CA -0.105 52.797 53.050 -0.247 0.000 0.888 544 N CB 0.796 39.195 38.487 -0.147 0.000 1.038 544 N HN 0.087 nan 8.380 nan 0.000 0.517 545 R N 1.096 121.648 120.500 0.086 0.000 2.535 545 R HA 0.460 4.800 4.340 0.000 0.000 0.274 545 R C -2.039 174.189 176.300 -0.120 0.000 1.090 545 R CA -0.413 55.711 56.100 0.041 0.000 0.930 545 R CB 1.170 31.456 30.300 -0.023 0.000 1.223 545 R HN -0.049 nan 8.270 nan 0.000 0.441 546 I N 2.851 123.260 120.570 -0.269 0.000 2.498 546 I HA 0.337 4.507 4.170 0.000 0.000 0.290 546 I C -0.485 175.477 176.117 -0.259 0.000 1.032 546 I CA -0.743 60.313 61.300 -0.406 0.000 1.073 546 I CB 2.345 39.867 38.000 -0.795 0.000 1.251 546 I HN 0.512 nan 8.210 nan 0.000 0.426 547 E N 5.469 125.557 120.200 -0.186 0.000 2.166 547 E HA 0.601 4.951 4.350 0.000 0.000 0.275 547 E C -0.997 175.470 176.600 -0.222 0.000 0.941 547 E CA -0.692 55.588 56.400 -0.199 0.000 0.784 547 E CB 2.634 32.219 29.700 -0.191 0.000 1.115 547 E HN 0.433 nan 8.360 nan 0.000 0.399 548 V N -0.149 119.617 119.914 -0.247 0.000 3.141 548 V HA 0.544 4.664 4.120 0.000 0.000 0.312 548 V C -1.310 174.566 176.094 -0.362 0.000 1.157 548 V CA -1.020 61.149 62.300 -0.219 0.000 1.041 548 V CB 1.042 32.860 31.823 -0.009 0.000 1.071 548 V HN 0.520 nan 8.190 nan 0.000 0.441 549 Y N 0.313 120.569 120.300 -0.073 0.000 2.330 549 Y HA 0.632 5.182 4.550 0.000 0.000 0.336 549 Y C 0.504 176.241 175.900 -0.271 0.000 1.036 549 Y CA -0.815 57.211 58.100 -0.122 0.000 1.125 549 Y CB 1.734 40.140 38.460 -0.089 0.000 1.194 549 Y HN 0.546 nan 8.280 nan 0.000 0.469 550 V N 6.309 126.108 119.914 -0.193 0.000 2.540 550 V HA 0.019 4.139 4.120 0.000 0.000 0.297 550 V C -1.944 173.939 176.094 -0.351 0.000 1.024 550 V CA -1.381 60.603 62.300 -0.526 0.000 1.105 550 V CB -0.001 31.656 31.823 -0.275 0.000 0.938 550 V HN 0.591 nan 8.190 nan 0.000 0.482 551 P HA 0.069 nan 4.420 nan 0.000 0.270 551 P C -0.229 176.989 177.300 -0.138 0.000 1.223 551 P CA -0.423 62.536 63.100 -0.235 0.000 0.785 551 P CB 0.366 31.941 31.700 -0.208 0.000 0.923 552 N N 1.997 120.652 118.700 -0.076 0.000 3.050 552 N HA 0.122 4.862 4.740 0.000 0.000 0.289 552 N C -0.324 175.174 175.510 -0.021 0.000 1.209 552 N CA -0.024 53.002 53.050 -0.040 0.000 1.154 552 N CB -0.879 37.589 38.487 -0.032 0.000 1.444 552 N HN 0.346 nan 8.380 nan 0.000 0.529 553 M N -0.446 119.146 119.600 -0.013 0.000 2.819 553 M HA 0.749 5.229 4.480 0.000 0.000 0.300 553 M C -0.142 176.178 176.300 0.033 0.000 1.237 553 M CA -1.262 54.046 55.300 0.013 0.000 0.813 553 M CB 0.944 33.558 32.600 0.023 0.000 1.755 553 M HN 0.009 nan 8.290 nan 0.000 0.484 554 A N 1.180 124.026 122.820 0.044 0.000 2.520 554 A HA 0.568 4.888 4.320 0.000 0.000 0.235 554 A C 0.308 177.930 177.584 0.063 0.000 1.065 554 A CA 0.090 52.157 52.037 0.050 0.000 0.764 554 A CB -0.379 18.652 19.000 0.052 0.000 1.002 554 A HN 1.025 nan 8.150 nan 0.000 0.502 555 A N 0.827 123.681 122.820 0.056 0.000 2.351 555 A HA 0.736 5.056 4.320 0.000 0.000 0.257 555 A C 0.828 178.448 177.584 0.060 0.000 1.087 555 A CA 0.504 52.577 52.037 0.060 0.000 0.798 555 A CB 0.091 19.117 19.000 0.043 0.000 1.033 555 A HN 2.798 nan 8.150 nan 0.000 0.488 556 G N -0.963 107.874 108.800 0.062 0.000 2.351 556 G HA2 0.425 4.385 3.960 0.000 0.000 0.353 556 G HA3 0.425 4.385 3.960 0.000 0.000 0.353 556 G C -1.171 173.774 174.900 0.074 0.000 1.358 556 G CA -0.488 44.645 45.100 0.054 0.000 0.995 556 G HN 1.553 nan 8.290 nan 0.000 0.611 557 L N 0.788 122.047 121.223 0.061 0.000 2.410 557 L HA 0.702 5.042 4.340 0.000 0.000 0.273 557 L C 0.842 177.778 176.870 0.111 0.000 1.152 557 L CA 1.019 55.906 54.840 0.079 0.000 0.855 557 L CB 1.143 43.233 42.059 0.052 0.000 1.129 557 L HN 0.977 nan 8.230 nan 0.000 0.463 558 T N 2.878 117.531 114.554 0.165 0.000 2.865 558 T HA 0.426 4.776 4.350 0.000 0.000 0.294 558 T C -1.415 173.370 174.700 0.141 0.000 1.119 558 T CA -0.781 61.418 62.100 0.165 0.000 1.007 558 T CB 1.013 70.019 68.868 0.228 0.000 1.225 558 T HN 0.580 nan 8.240 nan 0.000 0.515 559 D N 1.816 122.271 120.400 0.091 0.000 2.193 559 D HA 0.462 5.102 4.640 0.000 0.000 0.244 559 D C -0.365 175.907 176.300 -0.047 0.000 1.064 559 D CA -0.092 53.934 54.000 0.042 0.000 0.845 559 D CB 1.877 42.702 40.800 0.041 0.000 1.148 559 D HN 0.243 nan 8.370 nan 0.000 0.464 560 V N 2.773 122.603 119.914 -0.140 0.000 2.481 560 V HA 0.342 4.462 4.120 0.000 0.000 0.286 560 V C 0.309 176.309 176.094 -0.157 0.000 1.042 560 V CA -0.378 61.709 62.300 -0.354 0.000 0.928 560 V CB 1.555 33.030 31.823 -0.580 0.000 0.986 560 V HN 0.389 nan 8.190 nan 0.000 0.462 561 K N 3.214 123.527 120.400 -0.145 0.000 2.501 561 K HA 0.719 5.039 4.320 0.000 0.000 0.252 561 K C -1.864 174.689 176.600 -0.077 0.000 0.934 561 K CA -0.550 55.699 56.287 -0.063 0.000 0.797 561 K CB 2.417 34.912 32.500 -0.008 0.000 1.270 561 K HN 0.438 nan 8.250 nan 0.000 0.431 562 V N 2.582 122.451 119.914 -0.076 0.000 2.483 562 V HA 0.434 4.554 4.120 0.000 0.000 0.295 562 V C -0.586 175.532 176.094 0.041 0.000 1.035 562 V CA -0.522 61.727 62.300 -0.086 0.000 0.896 562 V CB 1.866 33.509 31.823 -0.300 0.000 0.986 562 V HN 0.850 nan 8.190 nan 0.000 0.447 563 T N 4.197 118.823 114.554 0.120 0.000 2.809 563 T HA 0.741 5.091 4.350 0.000 0.000 0.284 563 T C -0.315 174.495 174.700 0.183 0.000 0.992 563 T CA -0.330 61.842 62.100 0.119 0.000 0.957 563 T CB 1.417 70.329 68.868 0.074 0.000 0.942 563 T HN 0.924 nan 8.240 nan 0.000 0.439 564 A N 1.822 124.745 122.820 0.172 0.000 2.381 564 A HA 0.767 5.087 4.320 0.000 0.000 0.299 564 A C 0.900 178.543 177.584 0.098 0.000 1.049 564 A CA -0.245 51.907 52.037 0.191 0.000 0.715 564 A CB 0.688 19.899 19.000 0.353 0.000 1.222 564 A HN 1.454 nan 8.150 nan 0.000 0.428 565 G N 1.115 109.942 108.800 0.045 0.000 2.249 565 G HA2 0.145 4.105 3.960 0.000 0.000 0.273 565 G HA3 0.145 4.105 3.960 0.000 0.000 0.273 565 G C 1.651 176.563 174.900 0.021 0.000 1.036 565 G CA 1.386 46.500 45.100 0.023 0.000 0.824 565 G HN 2.859 nan 8.290 nan 0.000 0.504 566 G N -3.297 105.514 108.800 0.019 0.000 2.184 566 G HA2 -0.059 3.901 3.960 0.000 0.000 0.264 566 G HA3 -0.059 3.901 3.960 0.000 0.000 0.264 566 G C 0.434 175.351 174.900 0.027 0.000 0.975 566 G CA 0.704 45.815 45.100 0.018 0.000 0.642 566 G HN 1.727 nan 8.290 nan 0.000 0.536 567 V N 1.648 121.585 119.914 0.038 0.000 2.483 567 V HA 0.721 4.842 4.120 0.000 0.000 0.295 567 V C 0.697 176.820 176.094 0.048 0.000 1.035 567 V CA -0.086 62.236 62.300 0.037 0.000 0.896 567 V CB 1.736 33.579 31.823 0.032 0.000 0.986 567 V HN 0.918 nan 8.190 nan 0.000 0.447 568 S N 2.751 118.476 115.700 0.041 0.000 2.608 568 S HA 0.688 5.158 4.470 0.000 0.000 0.291 568 S C 0.113 174.737 174.600 0.040 0.000 1.146 568 S CA -0.342 57.884 58.200 0.044 0.000 1.043 568 S CB 1.671 64.895 63.200 0.040 0.000 1.037 568 S HN 1.021 nan 8.310 nan 0.000 0.520 569 S N 1.624 117.351 115.700 0.044 0.000 2.671 569 S HA 0.360 4.830 4.470 0.000 0.000 0.272 569 S C 0.263 174.907 174.600 0.073 0.000 1.174 569 S CA -0.935 57.293 58.200 0.046 0.000 1.004 569 S CB -0.227 63.012 63.200 0.065 0.000 1.077 569 S HN 0.928 nan 8.310 nan 0.000 0.553 570 N N 0.187 118.960 118.700 0.122 0.000 2.371 570 N HA 0.162 4.903 4.740 0.000 0.000 0.243 570 N C -0.487 175.103 175.510 0.134 0.000 1.287 570 N CA -0.317 52.831 53.050 0.164 0.000 0.911 570 N CB -0.189 38.466 38.487 0.280 0.000 1.142 570 N HN 0.671 nan 8.380 nan 0.000 0.451 571 L N -0.305 120.989 121.223 0.118 0.000 2.343 571 L HA 0.406 4.746 4.340 0.000 0.000 0.275 571 L C -0.830 176.135 176.870 0.158 0.000 1.056 571 L CA -0.908 53.993 54.840 0.101 0.000 0.804 571 L CB 0.686 42.781 42.059 0.060 0.000 1.203 571 L HN 0.547 nan 8.230 nan 0.000 0.440 572 Y N 0.914 121.218 120.300 0.007 0.000 2.421 572 Y HA 0.304 4.854 4.550 0.000 0.000 0.339 572 Y C 0.172 176.099 175.900 0.047 0.000 0.996 572 Y CA -0.967 57.158 58.100 0.042 0.000 1.046 572 Y CB 1.955 40.430 38.460 0.025 0.000 1.226 572 Y HN 0.681 nan 8.280 nan 0.000 0.445 573 S N 4.407 120.188 115.700 0.134 0.000 2.593 573 S HA 0.433 4.903 4.470 0.000 0.000 0.269 573 S C -1.192 173.638 174.600 0.382 0.000 1.334 573 S CA -0.166 58.158 58.200 0.206 0.000 1.015 573 S CB 1.217 64.490 63.200 0.123 0.000 0.912 573 S HN 0.709 nan 8.310 nan 0.000 0.541 574 Y N 0.902 121.295 120.300 0.155 0.000 2.436 574 Y HA 0.425 4.975 4.550 0.000 0.000 0.327 574 Y C -1.331 174.660 175.900 0.152 0.000 1.138 574 Y CA -0.874 57.313 58.100 0.145 0.000 1.042 574 Y CB 1.458 39.987 38.460 0.115 0.000 1.302 574 Y HN 0.830 nan 8.280 nan 0.000 0.439 575 N N 6.089 124.514 118.700 -0.457 0.000 2.462 575 N HA 0.350 5.090 4.740 0.000 0.000 0.242 575 N C -1.219 174.099 175.510 -0.319 0.000 1.010 575 N CA -0.164 52.731 53.050 -0.258 0.000 0.939 575 N CB 0.350 38.740 38.487 -0.162 0.000 1.127 575 N HN 0.642 nan 8.380 nan 0.000 0.509 576 I N 4.444 125.009 120.570 -0.009 0.000 2.337 576 I HA 0.145 4.315 4.170 0.000 0.000 0.291 576 I C 0.580 176.723 176.117 0.043 0.000 1.046 576 I CA -0.559 60.798 61.300 0.095 0.000 1.324 576 I CB 0.602 38.724 38.000 0.204 0.000 1.409 576 I HN 0.279 nan 8.210 nan 0.000 0.494 577 L N 4.883 126.126 121.223 0.032 0.000 2.475 577 L HA 0.179 4.519 4.340 0.000 0.000 0.253 577 L C 1.459 178.353 176.870 0.041 0.000 1.198 577 L CA -0.077 54.780 54.840 0.029 0.000 0.814 577 L CB 0.665 42.743 42.059 0.032 0.000 1.134 577 L HN 0.583 nan 8.230 nan 0.000 0.478 578 S N -0.209 115.512 115.700 0.035 0.000 2.562 578 S HA 0.253 4.723 4.470 0.000 0.000 0.221 578 S C 0.434 175.057 174.600 0.039 0.000 0.975 578 S CA 0.501 58.722 58.200 0.036 0.000 0.918 578 S CB 0.037 63.255 63.200 0.031 0.000 0.772 578 S HN 0.904 nan 8.310 nan 0.000 0.531 579 G N 0.190 109.015 108.800 0.041 0.000 2.356 579 G HA2 0.232 4.192 3.960 0.000 0.000 0.300 579 G HA3 0.232 4.192 3.960 0.000 0.000 0.300 579 G C -0.672 174.254 174.900 0.043 0.000 1.331 579 G CA -0.685 44.440 45.100 0.041 0.000 0.905 579 G HN -0.043 nan 8.290 nan 0.000 0.587 580 T N 0.699 115.277 114.554 0.040 0.000 2.946 580 T HA 0.369 4.719 4.350 0.000 0.000 0.312 580 T C 0.392 175.118 174.700 0.043 0.000 1.066 580 T CA 0.421 62.544 62.100 0.038 0.000 1.138 580 T CB 0.215 69.102 68.868 0.032 0.000 1.014 580 T HN 0.463 nan 8.240 nan 0.000 0.544 581 Q N 2.247 122.073 119.800 0.042 0.000 2.193 581 Q HA 0.478 4.818 4.340 0.000 0.000 0.246 581 Q C 0.037 176.076 176.000 0.066 0.000 0.959 581 Q CA -0.490 55.347 55.803 0.055 0.000 0.904 581 Q CB 1.749 30.518 28.738 0.051 0.000 1.238 581 Q HN 0.743 nan 8.270 nan 0.000 0.469 582 T N -0.744 113.863 114.554 0.088 0.000 2.906 582 T HA 0.361 4.711 4.350 0.000 0.000 0.295 582 T C -1.080 173.704 174.700 0.140 0.000 1.061 582 T CA -0.485 61.677 62.100 0.102 0.000 1.000 582 T CB 1.448 70.365 68.868 0.082 0.000 1.103 582 T HN 0.421 nan 8.240 nan 0.000 0.486 583 S N 2.926 118.724 115.700 0.164 0.000 2.420 583 S HA 0.634 5.104 4.470 0.000 0.000 0.313 583 S C -0.863 173.837 174.600 0.167 0.000 1.079 583 S CA -0.529 57.790 58.200 0.199 0.000 1.104 583 S CB -0.084 63.287 63.200 0.284 0.000 0.969 583 S HN 0.581 nan 8.310 nan 0.000 0.471 584 V N 5.964 126.000 119.914 0.203 0.000 2.448 584 V HA 0.403 4.523 4.120 0.000 0.000 0.295 584 V C -0.137 176.088 176.094 0.219 0.000 1.025 584 V CA -0.862 61.527 62.300 0.148 0.000 0.859 584 V CB 1.914 33.778 31.823 0.067 0.000 0.988 584 V HN 0.681 nan 8.190 nan 0.000 0.431 585 V N 5.769 125.766 119.914 0.140 0.000 2.415 585 V HA 0.246 4.366 4.120 0.000 0.000 0.267 585 V C -0.307 175.918 176.094 0.220 0.000 1.042 585 V CA 0.168 62.606 62.300 0.230 0.000 1.000 585 V CB -0.086 31.851 31.823 0.189 0.000 1.015 585 V HN 0.601 nan 8.190 nan 0.000 0.478 586 F N 3.151 123.279 119.950 0.296 0.000 2.385 586 F HA 0.487 5.014 4.527 0.000 0.000 0.360 586 F C 0.809 176.836 175.800 0.378 0.000 1.122 586 F CA -0.169 58.038 58.000 0.346 0.000 1.090 586 F CB 1.628 40.906 39.000 0.463 0.000 1.150 586 F HN 0.355 nan 8.300 nan 0.000 0.472 587 T N 3.568 118.359 114.554 0.394 0.000 2.829 587 T HA 0.503 4.853 4.350 0.000 0.000 0.280 587 T C -1.092 173.675 174.700 0.112 0.000 0.999 587 T CA -0.657 61.604 62.100 0.268 0.000 0.983 587 T CB 1.914 70.875 68.868 0.155 0.000 0.968 587 T HN 0.349 nan 8.240 nan 0.000 0.446 588 V N 4.323 124.209 119.914 -0.047 0.000 2.407 588 V HA 0.494 4.614 4.120 0.000 0.000 0.291 588 V C -0.617 175.494 176.094 0.028 0.000 1.018 588 V CA -0.731 61.446 62.300 -0.205 0.000 0.842 588 V CB 1.077 32.387 31.823 -0.855 0.000 0.996 588 V HN 0.750 nan 8.190 nan 0.000 0.426 589 K N 3.808 124.251 120.400 0.072 0.000 2.118 589 K HA 0.518 4.838 4.320 0.000 0.000 0.264 589 K C 0.598 177.260 176.600 0.103 0.000 1.000 589 K CA -0.059 56.275 56.287 0.079 0.000 0.929 589 K CB 1.250 33.786 32.500 0.061 0.000 1.021 589 K HN 0.785 nan 8.250 nan 0.000 0.463 590 S N -0.049 115.671 115.700 0.033 0.000 3.628 590 S HA -0.203 4.267 4.470 0.000 0.000 0.373 590 S C -0.056 174.516 174.600 -0.047 0.000 0.968 590 S CA 0.484 58.677 58.200 -0.012 0.000 1.215 590 S CB -1.407 61.811 63.200 0.030 0.000 0.912 590 S HN 0.787 nan 8.310 nan 0.000 0.495 591 A N 1.251 123.992 122.820 -0.133 0.000 2.313 591 A HA 0.655 4.976 4.320 0.000 0.000 0.261 591 A C -1.764 175.479 177.584 -0.569 0.000 1.090 591 A CA -1.323 50.390 52.037 -0.540 0.000 0.807 591 A CB -0.022 18.633 19.000 -0.575 0.000 1.055 591 A HN 0.302 nan 8.150 nan 0.000 0.492 592 P HA 0.284 nan 4.420 nan 0.000 0.272 592 P C -2.488 174.664 177.300 -0.247 0.000 1.230 592 P CA -0.888 61.945 63.100 -0.445 0.000 0.788 592 P CB -0.400 31.043 31.700 -0.429 0.000 0.949 593 P HA 0.075 nan 4.420 nan 0.000 0.266 593 P C -0.360 177.008 177.300 0.113 0.000 1.195 593 P CA 0.352 63.495 63.100 0.072 0.000 0.768 593 P CB 0.056 31.797 31.700 0.069 0.000 0.838 594 T N -0.553 114.162 114.554 0.268 0.000 2.916 594 T HA 0.578 4.928 4.350 0.000 0.000 0.292 594 T C -0.334 174.450 174.700 0.140 0.000 1.055 594 T CA -0.996 61.224 62.100 0.199 0.000 1.009 594 T CB 1.410 70.469 68.868 0.318 0.000 1.118 594 T HN 0.200 nan 8.240 nan 0.000 0.497 595 N N 0.324 119.079 118.700 0.091 0.000 2.459 595 N HA 0.475 5.215 4.740 0.000 0.000 0.288 595 N C -0.661 174.879 175.510 0.049 0.000 1.186 595 N CA -1.091 51.988 53.050 0.049 0.000 0.917 595 N CB 0.946 39.456 38.487 0.039 0.000 1.219 595 N HN 0.573 nan 8.380 nan 0.000 0.525 596 L N 1.556 122.789 121.223 0.017 0.000 2.578 596 L HA 0.041 4.381 4.340 0.000 0.000 0.279 596 L C 1.143 178.039 176.870 0.043 0.000 1.227 596 L CA 1.809 56.660 54.840 0.018 0.000 0.900 596 L CB -0.761 41.297 42.059 -0.002 0.000 1.144 596 L HN 0.973 nan 8.230 nan 0.000 0.496 597 G N 3.978 112.815 108.800 0.061 0.000 2.279 597 G HA2 -0.220 3.740 3.960 0.000 0.000 0.223 597 G HA3 -0.220 3.740 3.960 0.000 0.000 0.223 597 G C 0.127 175.085 174.900 0.096 0.000 1.015 597 G CA 0.129 45.272 45.100 0.072 0.000 0.621 597 G HN 0.627 nan 8.290 nan 0.000 0.506 598 D N 1.816 122.277 120.400 0.103 0.000 2.389 598 D HA 0.585 5.225 4.640 0.000 0.000 0.247 598 D C 0.527 176.900 176.300 0.122 0.000 1.128 598 D CA 0.614 54.675 54.000 0.102 0.000 0.884 598 D CB 1.092 41.943 40.800 0.085 0.000 1.194 598 D HN 0.471 nan 8.370 nan 0.000 0.441 599 K N 1.238 121.675 120.400 0.062 0.000 2.477 599 K HA 0.534 4.854 4.320 0.000 0.000 0.255 599 K C -0.532 175.900 176.600 -0.281 0.000 0.952 599 K CA -0.793 55.463 56.287 -0.052 0.000 0.826 599 K CB 2.308 34.806 32.500 -0.003 0.000 1.331 599 K HN 0.256 nan 8.250 nan 0.000 0.437 600 I N 2.374 122.555 120.570 -0.647 0.000 2.392 600 I HA 0.335 4.505 4.170 0.000 0.000 0.295 600 I C -0.872 174.933 176.117 -0.520 0.000 0.985 600 I CA -0.645 60.308 61.300 -0.578 0.000 1.221 600 I CB 0.649 38.100 38.000 -0.916 0.000 1.366 600 I HN 0.450 nan 8.210 nan 0.000 0.467 601 Y N 5.012 124.998 120.300 -0.524 0.000 2.598 601 Y HA 0.578 5.129 4.550 0.000 0.000 0.340 601 Y C -0.483 175.106 175.900 -0.518 0.000 1.038 601 Y CA -0.939 56.813 58.100 -0.580 0.000 1.100 601 Y CB 1.853 39.742 38.460 -0.951 0.000 1.281 601 Y HN 0.328 nan 8.280 nan 0.000 0.488 602 L N 1.078 122.136 121.223 -0.276 0.000 2.329 602 L HA 0.821 5.161 4.340 0.000 0.000 0.279 602 L C -0.561 176.072 176.870 -0.395 0.000 1.014 602 L CA 0.023 54.579 54.840 -0.473 0.000 0.814 602 L CB 1.883 43.487 42.059 -0.759 0.000 1.257 602 L HN 0.669 nan 8.230 nan 0.000 0.424 603 T N 2.759 117.152 114.554 -0.270 0.000 2.900 603 T HA 0.909 5.259 4.350 0.000 0.000 0.303 603 T C -0.649 173.832 174.700 -0.365 0.000 1.142 603 T CA 0.077 62.083 62.100 -0.156 0.000 1.007 603 T CB 1.395 70.386 68.868 0.204 0.000 1.156 603 T HN 1.104 nan 8.240 nan 0.000 0.490 604 G N 1.695 110.038 108.800 -0.762 0.000 2.554 604 G HA2 0.353 4.314 3.960 0.000 0.000 0.306 604 G HA3 0.353 4.314 3.960 0.000 0.000 0.306 604 G C -0.601 173.402 174.900 -1.495 0.000 1.320 604 G CA -0.456 43.850 45.100 -1.323 0.000 0.800 604 G HN 0.731 nan 8.290 nan 0.000 0.481 605 N N -0.157 117.980 118.700 -0.938 0.000 2.389 605 N HA 0.177 4.917 4.740 0.000 0.000 0.237 605 N C 0.240 175.638 175.510 -0.188 0.000 1.148 605 N CA -0.045 52.738 53.050 -0.446 0.000 0.854 605 N CB -0.396 38.166 38.487 0.124 0.000 1.115 605 N HN 0.766 nan 8.380 nan 0.000 0.492 606 I N -5.652 114.780 120.570 -0.230 0.000 2.894 606 I HA 0.474 4.644 4.170 0.000 0.000 0.302 606 I C -2.207 173.836 176.117 -0.123 0.000 1.188 606 I CA -2.391 58.843 61.300 -0.110 0.000 1.014 606 I CB 2.423 40.385 38.000 -0.064 0.000 1.242 606 I HN -0.404 nan 8.210 nan 0.000 0.430 607 P HA -0.116 nan 4.420 nan 0.000 0.220 607 P C 0.963 178.226 177.300 -0.063 0.000 1.148 607 P CA 1.406 64.476 63.100 -0.051 0.000 0.803 607 P CB 0.264 31.956 31.700 -0.013 0.000 0.782 608 E N -0.229 119.935 120.200 -0.061 0.000 2.204 608 E HA -0.061 4.289 4.350 0.000 0.000 0.195 608 E C 1.605 178.128 176.600 -0.128 0.000 0.990 608 E CA 0.860 57.226 56.400 -0.058 0.000 0.821 608 E CB -0.571 29.114 29.700 -0.024 0.000 0.750 608 E HN 0.299 nan 8.360 nan 0.000 0.477 609 L N -1.216 119.888 121.223 -0.197 0.000 2.818 609 L HA 0.330 4.670 4.340 0.000 0.000 0.243 609 L C 0.950 177.659 176.870 -0.267 0.000 1.185 609 L CA 0.174 54.828 54.840 -0.311 0.000 0.988 609 L CB 0.343 42.159 42.059 -0.406 0.000 1.292 609 L HN 0.318 nan 8.230 nan 0.000 0.519 610 G N 0.055 108.751 108.800 -0.172 0.000 2.176 610 G HA2 -0.304 3.656 3.960 0.000 0.000 0.253 610 G HA3 -0.304 3.656 3.960 0.000 0.000 0.253 610 G C 0.452 175.296 174.900 -0.094 0.000 0.979 610 G CA 0.052 45.087 45.100 -0.109 0.000 0.641 610 G HN 0.435 nan 8.290 nan 0.000 0.530 611 N N -1.042 117.547 118.700 -0.184 0.000 2.714 611 N HA -0.233 4.508 4.740 0.000 0.000 0.252 611 N C 0.838 176.369 175.510 0.035 0.000 1.014 611 N CA 1.893 54.858 53.050 -0.143 0.000 0.735 611 N CB -1.643 36.843 38.487 -0.002 0.000 0.924 611 N HN 1.302 nan 8.380 nan 0.000 0.540 612 W N -2.731 118.623 121.300 0.090 0.000 2.869 612 W HA -0.286 4.374 4.660 0.000 0.000 0.285 612 W C 0.891 177.509 176.519 0.165 0.000 1.098 612 W CA 0.604 58.049 57.345 0.167 0.000 0.571 612 W CB -1.983 27.556 29.460 0.132 0.000 2.131 612 W HN 0.304 nan 8.180 nan 0.000 1.367 613 S N 0.646 116.474 115.700 0.214 0.000 2.572 613 S HA 0.312 4.783 4.470 0.000 0.000 0.279 613 S C 1.328 175.959 174.600 0.050 0.000 1.341 613 S CA 0.802 59.071 58.200 0.114 0.000 1.043 613 S CB 0.904 64.129 63.200 0.042 0.000 0.887 613 S HN 0.306 nan 8.310 nan 0.000 0.516 614 T N 0.466 114.953 114.554 -0.113 0.000 3.085 614 T HA 0.233 4.584 4.350 0.000 0.000 0.264 614 T C 0.033 174.599 174.700 -0.222 0.000 1.019 614 T CA -0.329 61.517 62.100 -0.425 0.000 0.910 614 T CB -0.323 68.046 68.868 -0.832 0.000 1.059 614 T HN 0.615 nan 8.240 nan 0.000 0.542 615 D N 2.409 122.739 120.400 -0.116 0.000 2.389 615 D HA 0.273 4.913 4.640 0.000 0.000 0.247 615 D C 1.018 177.237 176.300 -0.135 0.000 1.128 615 D CA 0.284 54.218 54.000 -0.110 0.000 0.884 615 D CB 1.087 41.846 40.800 -0.068 0.000 1.194 615 D HN 0.301 nan 8.370 nan 0.000 0.441 616 T N -0.514 113.935 114.554 -0.174 0.000 3.252 616 T HA 0.220 4.570 4.350 0.000 0.000 0.286 616 T C 0.680 175.327 174.700 -0.088 0.000 1.013 616 T CA -0.331 61.637 62.100 -0.219 0.000 0.914 616 T CB -0.298 68.275 68.868 -0.491 0.000 1.131 616 T HN 0.291 nan 8.240 nan 0.000 0.529 617 S N 0.513 116.170 115.700 -0.072 0.000 2.625 617 S HA 0.528 4.998 4.470 0.000 0.000 0.262 617 S C 1.693 176.259 174.600 -0.057 0.000 1.223 617 S CA 0.052 58.218 58.200 -0.056 0.000 0.993 617 S CB 0.026 63.191 63.200 -0.058 0.000 1.051 617 S HN 0.361 nan 8.310 nan 0.000 0.562 618 G N -0.459 108.294 108.800 -0.078 0.000 2.956 618 G HA2 0.420 4.380 3.960 0.000 0.000 0.207 618 G HA3 0.420 4.380 3.960 0.000 0.000 0.207 618 G C 0.522 175.369 174.900 -0.087 0.000 1.162 618 G CA 0.145 45.184 45.100 -0.101 0.000 0.796 618 G HN 1.068 nan 8.290 nan 0.000 0.527 619 A N -0.331 122.447 122.820 -0.070 0.000 2.429 619 A HA 0.497 4.817 4.320 0.000 0.000 0.242 619 A C 0.286 177.843 177.584 -0.045 0.000 1.088 619 A CA -0.143 51.857 52.037 -0.062 0.000 0.784 619 A CB 0.568 19.537 19.000 -0.051 0.000 1.038 619 A HN 0.256 nan 8.150 nan 0.000 0.501 620 V N 2.293 122.183 119.914 -0.041 0.000 2.546 620 V HA 0.205 4.326 4.120 0.000 0.000 0.284 620 V C 0.168 176.254 176.094 -0.014 0.000 1.050 620 V CA -0.291 61.998 62.300 -0.019 0.000 0.981 620 V CB 0.684 32.501 31.823 -0.010 0.000 0.990 620 V HN 0.982 nan 8.190 nan 0.000 0.474 621 N N 2.748 121.443 118.700 -0.010 0.000 2.714 621 N HA -0.167 4.573 4.740 0.000 0.000 0.253 621 N C -0.045 175.451 175.510 -0.024 0.000 1.024 621 N CA 1.105 54.144 53.050 -0.018 0.000 0.726 621 N CB -1.015 37.464 38.487 -0.014 0.000 0.908 621 N HN 1.011 nan 8.380 nan 0.000 0.542 622 N N -0.827 117.860 118.700 -0.022 0.000 2.992 622 N HA 0.673 5.414 4.740 0.000 0.000 0.338 622 N C 0.067 175.562 175.510 -0.024 0.000 1.376 622 N CA -0.139 52.898 53.050 -0.022 0.000 0.778 622 N CB -0.264 38.207 38.487 -0.027 0.000 1.232 622 N HN 0.131 nan 8.380 nan 0.000 0.581 623 A N -0.545 122.270 122.820 -0.009 0.000 2.498 623 A HA 0.185 4.505 4.320 0.000 0.000 0.239 623 A C -0.076 177.521 177.584 0.022 0.000 1.068 623 A CA -0.101 51.946 52.037 0.018 0.000 0.766 623 A CB -0.286 18.785 19.000 0.119 0.000 1.003 623 A HN 0.485 nan 8.150 nan 0.000 0.497 624 Q N 0.374 120.130 119.800 -0.073 0.000 2.243 624 Q HA 0.613 4.953 4.340 0.000 0.000 0.252 624 Q C 0.538 176.592 176.000 0.089 0.000 0.909 624 Q CA 0.778 56.517 55.803 -0.106 0.000 0.922 624 Q CB 1.489 29.832 28.738 -0.658 0.000 1.215 624 Q HN 1.533 nan 8.270 nan 0.000 0.427 625 G N 2.733 111.752 108.800 0.365 0.000 2.250 625 G HA2 -0.037 3.924 3.960 0.000 0.000 0.252 625 G HA3 -0.037 3.924 3.960 0.000 0.000 0.252 625 G C -2.887 172.035 174.900 0.037 0.000 1.325 625 G CA -0.863 44.373 45.100 0.227 0.000 1.091 625 G HN 0.491 nan 8.290 nan 0.000 0.476 626 P HA 0.586 nan 4.420 nan 0.000 0.274 626 P C -0.329 176.791 177.300 -0.299 0.000 1.246 626 P CA -0.340 62.332 63.100 -0.713 0.000 0.795 626 P CB 0.788 32.105 31.700 -0.639 0.000 1.006 627 L N 0.373 121.514 121.223 -0.137 0.000 2.456 627 L HA 0.254 4.595 4.340 0.000 0.000 0.257 627 L C 0.762 177.698 176.870 0.110 0.000 1.162 627 L CA -0.094 54.803 54.840 0.095 0.000 0.808 627 L CB -0.179 42.063 42.059 0.305 0.000 1.136 627 L HN 0.233 nan 8.230 nan 0.000 0.466 628 L N 1.027 122.191 121.223 -0.098 0.000 2.365 628 L HA 0.769 5.109 4.340 0.000 0.000 0.267 628 L C -0.005 176.684 176.870 -0.301 0.000 1.033 628 L CA -0.750 53.971 54.840 -0.199 0.000 0.802 628 L CB 1.279 43.170 42.059 -0.280 0.000 1.267 628 L HN 0.664 nan 8.230 nan 0.000 0.457 629 A N 0.614 123.124 122.820 -0.517 0.000 3.410 629 A HA 0.420 4.740 4.320 0.000 0.000 0.276 629 A C -1.938 175.355 177.584 -0.484 0.000 0.995 629 A CA -0.782 50.837 52.037 -0.697 0.000 0.934 629 A CB -0.129 17.970 19.000 -1.502 0.000 1.191 629 A HN 0.525 nan 8.150 nan 0.000 0.511 630 P HA -0.121 nan 4.420 nan 0.000 0.218 630 P C 0.328 177.412 177.300 -0.360 0.000 1.149 630 P CA 1.249 64.011 63.100 -0.563 0.000 0.817 630 P CB -0.019 31.015 31.700 -1.110 0.000 0.785 631 N N -1.377 117.142 118.700 -0.301 0.000 2.453 631 N HA 0.069 4.809 4.740 0.000 0.000 0.270 631 N C -0.194 175.218 175.510 -0.164 0.000 1.195 631 N CA -0.584 52.343 53.050 -0.205 0.000 0.902 631 N CB -0.534 37.834 38.487 -0.199 0.000 1.186 631 N HN 0.087 nan 8.380 nan 0.000 0.510 632 Y N 2.852 122.952 120.300 -0.333 0.000 2.904 632 Y HA -0.019 4.531 4.550 0.000 0.000 0.336 632 Y C -1.188 174.616 175.900 -0.160 0.000 1.263 632 Y CA -1.149 56.757 58.100 -0.323 0.000 1.547 632 Y CB 0.730 38.981 38.460 -0.348 0.000 1.272 632 Y HN 0.257 nan 8.280 nan 0.000 0.596 633 P HA 0.065 nan 4.420 nan 0.000 0.255 633 P C -0.992 176.160 177.300 -0.246 0.000 1.357 633 P CA 0.222 62.823 63.100 -0.832 0.000 0.839 633 P CB 0.180 31.479 31.700 -0.669 0.000 1.356 634 D N 0.358 120.664 120.400 -0.157 0.000 2.255 634 D HA 0.253 4.893 4.640 0.000 0.000 0.249 634 D C -0.336 175.973 176.300 0.015 0.000 1.078 634 D CA 0.300 54.306 54.000 0.010 0.000 0.896 634 D CB 0.658 41.442 40.800 -0.027 0.000 1.194 634 D HN 0.023 nan 8.370 nan 0.000 0.429 635 W N 1.753 123.039 121.300 -0.024 0.000 2.781 635 W HA 0.571 5.231 4.660 0.000 0.000 0.345 635 W C -0.490 176.120 176.519 0.152 0.000 1.085 635 W CA -0.949 56.417 57.345 0.036 0.000 1.198 635 W CB 1.069 30.513 29.460 -0.026 0.000 1.423 635 W HN 0.266 nan 8.180 nan 0.000 0.532 636 F N 1.188 121.262 119.950 0.206 0.000 2.693 636 F HA 0.767 5.294 4.527 0.000 0.000 0.309 636 F C -2.066 173.916 175.800 0.303 0.000 1.129 636 F CA -1.760 56.363 58.000 0.205 0.000 0.948 636 F CB 1.287 40.318 39.000 0.052 0.000 1.315 636 F HN 0.390 nan 8.300 nan 0.000 0.447 637 Y N 0.878 121.079 120.300 -0.165 0.000 2.871 637 Y HA 0.735 5.285 4.550 0.000 0.000 0.331 637 Y C -1.945 173.804 175.900 -0.252 0.000 1.378 637 Y CA -1.476 56.321 58.100 -0.505 0.000 1.079 637 Y CB 1.694 39.858 38.460 -0.494 0.000 1.441 637 Y HN 0.648 nan 8.280 nan 0.000 0.446 638 V N 3.044 122.232 119.914 -1.209 0.000 2.531 638 V HA 0.574 4.694 4.120 0.000 0.000 0.301 638 V C -1.397 174.201 176.094 -0.828 0.000 1.034 638 V CA -0.711 61.209 62.300 -0.634 0.000 0.865 638 V CB 1.288 32.933 31.823 -0.298 0.000 0.995 638 V HN 0.499 nan 8.190 nan 0.000 0.424 639 F N 1.217 121.274 119.950 0.178 0.000 2.576 639 F HA 0.590 5.117 4.527 0.000 0.000 0.313 639 F C 0.438 176.338 175.800 0.166 0.000 1.078 639 F CA -0.757 57.328 58.000 0.143 0.000 0.921 639 F CB 2.255 41.268 39.000 0.022 0.000 1.232 639 F HN 0.390 nan 8.300 nan 0.000 0.459 640 S N 2.308 118.189 115.700 0.301 0.000 2.465 640 S HA 0.730 5.200 4.470 0.000 0.000 0.279 640 S C -0.835 173.870 174.600 0.175 0.000 1.201 640 S CA -0.444 57.877 58.200 0.201 0.000 1.053 640 S CB 0.034 63.312 63.200 0.131 0.000 0.953 640 S HN 0.623 nan 8.310 nan 0.000 0.488 641 V N 2.885 122.900 119.914 0.168 0.000 3.078 641 V HA 0.789 4.909 4.120 0.000 0.000 0.311 641 V C -2.831 173.322 176.094 0.098 0.000 1.138 641 V CA -2.853 59.523 62.300 0.128 0.000 1.007 641 V CB 1.633 33.566 31.823 0.183 0.000 1.045 641 V HN 0.669 nan 8.190 nan 0.000 0.432 642 P HA 0.203 nan 4.420 nan 0.000 0.264 642 P C -0.085 177.255 177.300 0.066 0.000 1.193 642 P CA 0.640 63.777 63.100 0.062 0.000 0.763 642 P CB 0.686 32.417 31.700 0.051 0.000 0.810 643 A N 3.428 126.283 122.820 0.059 0.000 2.425 643 A HA 0.490 4.810 4.320 0.000 0.000 0.249 643 A C 1.430 179.042 177.584 0.048 0.000 1.084 643 A CA 0.330 52.400 52.037 0.054 0.000 0.781 643 A CB -0.955 18.073 19.000 0.048 0.000 1.019 643 A HN 0.836 nan 8.150 nan 0.000 0.490 644 G N 1.141 109.968 108.800 0.045 0.000 2.249 644 G HA2 -0.192 3.768 3.960 0.000 0.000 0.273 644 G HA3 -0.192 3.768 3.960 0.000 0.000 0.273 644 G C 0.003 174.931 174.900 0.047 0.000 1.036 644 G CA 0.684 45.809 45.100 0.042 0.000 0.824 644 G HN 0.688 nan 8.290 nan 0.000 0.504 645 K N 0.008 120.442 120.400 0.057 0.000 2.318 645 K HA 0.601 4.922 4.320 0.000 0.000 0.249 645 K C -0.038 176.610 176.600 0.080 0.000 0.942 645 K CA -0.577 55.748 56.287 0.063 0.000 0.808 645 K CB 1.642 34.180 32.500 0.063 0.000 1.189 645 K HN 0.063 nan 8.250 nan 0.000 0.428 646 T N 3.269 117.873 114.554 0.083 0.000 2.743 646 T HA 0.497 4.847 4.350 0.000 0.000 0.293 646 T C 0.555 175.332 174.700 0.128 0.000 0.945 646 T CA -0.501 61.662 62.100 0.106 0.000 1.030 646 T CB -0.080 68.843 68.868 0.091 0.000 0.912 646 T HN 0.499 nan 8.240 nan 0.000 0.483 647 I N 0.528 121.207 120.570 0.182 0.000 2.892 647 I HA 0.654 4.825 4.170 0.000 0.000 0.306 647 I C -0.779 175.527 176.117 0.315 0.000 1.078 647 I CA -1.281 60.148 61.300 0.215 0.000 1.032 647 I CB 2.073 40.200 38.000 0.212 0.000 1.229 647 I HN 0.342 nan 8.210 nan 0.000 0.435 648 Q N 3.479 123.450 119.800 0.285 0.000 2.337 648 Q HA 0.677 5.017 4.340 0.000 0.000 0.266 648 Q C -1.569 174.625 176.000 0.324 0.000 1.023 648 Q CA -0.638 55.347 55.803 0.304 0.000 0.829 648 Q CB 2.855 31.795 28.738 0.335 0.000 1.306 648 Q HN 0.696 nan 8.270 nan 0.000 0.449 649 F N -1.347 118.730 119.950 0.211 0.000 2.693 649 F HA 0.694 5.222 4.527 0.000 0.000 0.309 649 F C -1.460 174.492 175.800 0.254 0.000 1.129 649 F CA -1.087 56.939 58.000 0.044 0.000 0.948 649 F CB 1.498 40.401 39.000 -0.162 0.000 1.315 649 F HN 0.235 nan 8.300 nan 0.000 0.447 650 K N 0.928 121.530 120.400 0.337 0.000 2.509 650 K HA 0.665 4.986 4.320 0.000 0.000 0.266 650 K C -1.988 174.614 176.600 0.004 0.000 0.987 650 K CA -0.835 55.627 56.287 0.291 0.000 0.868 650 K CB 2.824 35.627 32.500 0.504 0.000 1.421 650 K HN 0.564 nan 8.250 nan 0.000 0.444 651 F N 1.144 121.204 119.950 0.183 0.000 2.523 651 F HA 0.578 5.105 4.527 0.000 0.000 0.329 651 F C -0.141 175.684 175.800 0.041 0.000 1.061 651 F CA -0.736 57.288 58.000 0.040 0.000 0.967 651 F CB 1.083 40.123 39.000 0.067 0.000 1.218 651 F HN 0.400 nan 8.300 nan 0.000 0.480 652 F N -0.386 119.689 119.950 0.208 0.000 2.613 652 F HA 0.774 5.301 4.527 0.000 0.000 0.310 652 F C -1.591 174.335 175.800 0.210 0.000 1.085 652 F CA -1.697 56.371 58.000 0.113 0.000 0.945 652 F CB 0.822 39.546 39.000 -0.461 0.000 1.298 652 F HN 0.241 nan 8.300 nan 0.000 0.455 653 I N 2.586 123.415 120.570 0.431 0.000 2.353 653 I HA 0.318 4.488 4.170 0.000 0.000 0.293 653 I C -0.313 175.978 176.117 0.291 0.000 0.992 653 I CA -0.664 60.741 61.300 0.175 0.000 1.268 653 I CB 1.681 39.708 38.000 0.045 0.000 1.387 653 I HN 0.655 nan 8.210 nan 0.000 0.478 654 K N 7.152 127.716 120.400 0.273 0.000 2.299 654 K HA 0.330 4.650 4.320 0.000 0.000 0.268 654 K C -0.197 176.492 176.600 0.149 0.000 1.075 654 K CA -0.733 55.709 56.287 0.257 0.000 0.936 654 K CB 0.491 33.168 32.500 0.295 0.000 1.228 654 K HN 0.481 nan 8.250 nan 0.000 0.454 655 R N 1.671 122.232 120.500 0.102 0.000 2.827 655 R HA 0.028 4.368 4.340 0.000 0.000 0.269 655 R C 1.181 177.525 176.300 0.074 0.000 1.048 655 R CA 0.499 56.645 56.100 0.076 0.000 1.173 655 R CB 0.135 30.471 30.300 0.060 0.000 1.070 655 R HN 0.810 nan 8.270 nan 0.000 0.498 656 A N 1.363 124.222 122.820 0.066 0.000 1.986 656 A HA -0.211 4.109 4.320 0.000 0.000 0.220 656 A C 1.209 178.821 177.584 0.046 0.000 1.171 656 A CA 2.045 54.117 52.037 0.059 0.000 0.640 656 A CB -0.467 18.563 19.000 0.050 0.000 0.811 656 A HN 0.774 nan 8.150 nan 0.000 0.451 657 D N -2.517 117.906 120.400 0.040 0.000 2.328 657 D HA 0.291 4.931 4.640 0.000 0.000 0.226 657 D C 1.152 177.467 176.300 0.024 0.000 1.066 657 D CA 0.968 54.985 54.000 0.029 0.000 0.861 657 D CB -0.472 40.343 40.800 0.026 0.000 0.912 657 D HN 0.774 nan 8.370 nan 0.000 0.521 658 G N -0.487 108.331 108.800 0.030 0.000 2.217 658 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 658 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 658 G C 0.529 175.434 174.900 0.008 0.000 0.990 658 G CA 0.221 45.331 45.100 0.016 0.000 0.627 658 G HN 0.467 nan 8.290 nan 0.000 0.522 659 T N 2.422 116.988 114.554 0.021 0.000 2.946 659 T HA 0.428 4.778 4.350 0.000 0.000 0.311 659 T C 0.522 175.233 174.700 0.019 0.000 1.063 659 T CA 0.429 62.541 62.100 0.021 0.000 1.139 659 T CB 1.058 69.948 68.868 0.037 0.000 0.994 659 T HN 0.238 nan 8.240 nan 0.000 0.547 660 I N 3.049 123.613 120.570 -0.010 0.000 2.378 660 I HA 0.301 4.471 4.170 0.000 0.000 0.291 660 I C 0.231 176.367 176.117 0.031 0.000 0.992 660 I CA -0.426 60.836 61.300 -0.063 0.000 1.154 660 I CB 1.447 39.267 38.000 -0.299 0.000 1.315 660 I HN 0.678 nan 8.210 nan 0.000 0.448 661 Q N 6.220 126.089 119.800 0.116 0.000 2.413 661 Q HA 0.278 4.618 4.340 0.000 0.000 0.258 661 Q C -1.469 174.751 176.000 0.367 0.000 1.037 661 Q CA -0.596 55.349 55.803 0.235 0.000 0.764 661 Q CB 1.038 29.914 28.738 0.229 0.000 1.217 661 Q HN 0.506 nan 8.270 nan 0.000 0.490 662 W N 2.150 123.590 121.300 0.234 0.000 2.150 662 W HA 0.152 4.812 4.660 0.000 0.000 0.341 662 W C 0.735 177.358 176.519 0.173 0.000 1.276 662 W CA -0.135 57.340 57.345 0.216 0.000 1.238 662 W CB 0.522 30.026 29.460 0.072 0.000 1.128 662 W HN 0.500 nan 8.180 nan 0.000 0.581 663 E N 1.773 122.067 120.200 0.156 0.000 2.437 663 E HA -0.080 4.270 4.350 0.000 0.000 0.263 663 E C 0.264 176.856 176.600 -0.014 0.000 1.030 663 E CA -0.037 56.176 56.400 -0.310 0.000 0.934 663 E CB 0.427 29.764 29.700 -0.604 0.000 0.943 663 E HN 0.326 nan 8.360 nan 0.000 0.444 664 N N 0.394 119.079 118.700 -0.026 0.000 2.476 664 N HA 0.349 5.089 4.740 0.000 0.000 0.287 664 N C 0.370 175.818 175.510 -0.102 0.000 1.262 664 N CA 0.501 53.538 53.050 -0.020 0.000 0.980 664 N CB 0.700 39.207 38.487 0.035 0.000 1.163 664 N HN 0.690 nan 8.380 nan 0.000 0.592 665 G N -0.328 108.409 108.800 -0.106 0.000 2.645 665 G HA2 -0.230 3.730 3.960 0.000 0.000 0.239 665 G HA3 -0.230 3.730 3.960 0.000 0.000 0.239 665 G C -0.587 174.200 174.900 -0.188 0.000 1.331 665 G CA -0.237 44.781 45.100 -0.136 0.000 0.890 665 G HN 0.542 nan 8.290 nan 0.000 0.572 666 S N 0.858 116.440 115.700 -0.197 0.000 2.617 666 S HA 0.479 4.949 4.470 0.000 0.000 0.269 666 S C 0.655 175.091 174.600 -0.272 0.000 1.292 666 S CA -0.624 57.450 58.200 -0.210 0.000 1.010 666 S CB 0.743 63.845 63.200 -0.164 0.000 0.944 666 S HN 0.706 nan 8.310 nan 0.000 0.536 667 N N 2.196 120.765 118.700 -0.217 0.000 2.441 667 N HA 0.024 4.764 4.740 0.000 0.000 0.251 667 N C -0.171 175.173 175.510 -0.277 0.000 1.242 667 N CA 0.382 53.327 53.050 -0.174 0.000 0.898 667 N CB 0.068 38.556 38.487 0.002 0.000 1.100 667 N HN 0.538 nan 8.380 nan 0.000 0.443 668 H N 0.156 119.016 119.070 -0.350 0.000 2.652 668 H HA 0.251 4.807 4.556 0.000 0.000 0.349 668 H C -0.262 174.780 175.328 -0.476 0.000 1.099 668 H CA -0.066 55.671 56.048 -0.517 0.000 1.417 668 H CB 0.879 30.034 29.762 -1.011 0.000 1.457 668 H HN 0.072 nan 8.280 nan 0.000 0.568 669 V N 1.788 121.676 119.914 -0.044 0.000 2.540 669 V HA 0.678 4.798 4.120 0.000 0.000 0.302 669 V C -0.046 176.182 176.094 0.224 0.000 1.035 669 V CA -0.705 61.655 62.300 0.100 0.000 0.873 669 V CB 1.516 33.384 31.823 0.076 0.000 0.992 669 V HN 0.978 nan 8.190 nan 0.000 0.428 670 A N 2.837 125.853 122.820 0.328 0.000 2.606 670 A HA 0.848 5.168 4.320 0.000 0.000 0.293 670 A C -0.573 177.130 177.584 0.198 0.000 1.082 670 A CA -0.599 51.606 52.037 0.280 0.000 0.685 670 A CB 2.015 21.241 19.000 0.376 0.000 1.284 670 A HN 0.621 nan 8.150 nan 0.000 0.408 671 T N 2.219 116.848 114.554 0.126 0.000 2.771 671 T HA 0.574 4.924 4.350 0.000 0.000 0.281 671 T C 0.533 175.269 174.700 0.059 0.000 0.982 671 T CA 0.245 62.399 62.100 0.091 0.000 0.978 671 T CB 0.941 69.852 68.868 0.071 0.000 0.930 671 T HN 1.047 nan 8.240 nan 0.000 0.447 672 T N 2.422 117.009 114.554 0.056 0.000 2.898 672 T HA 0.387 4.737 4.350 0.000 0.000 0.301 672 T C -2.500 172.216 174.700 0.027 0.000 1.049 672 T CA -1.683 60.434 62.100 0.028 0.000 1.095 672 T CB 0.060 68.960 68.868 0.054 0.000 0.976 672 T HN 0.190 nan 8.240 nan 0.000 0.539 673 P HA 0.119 nan 4.420 nan 0.000 0.269 673 P C 1.105 178.424 177.300 0.031 0.000 1.217 673 P CA -0.237 62.876 63.100 0.020 0.000 0.783 673 P CB 0.274 31.984 31.700 0.017 0.000 0.898 674 T N -2.342 112.229 114.554 0.028 0.000 3.037 674 T HA 0.220 4.570 4.350 0.000 0.000 0.251 674 T C 1.112 175.830 174.700 0.031 0.000 1.079 674 T CA 0.345 62.463 62.100 0.030 0.000 1.067 674 T CB -0.489 68.394 68.868 0.026 0.000 0.948 674 T HN 0.451 nan 8.240 nan 0.000 0.496 675 G N 0.376 109.194 108.800 0.030 0.000 2.510 675 G HA2 0.548 4.509 3.960 0.000 0.000 0.280 675 G HA3 0.548 4.509 3.960 0.000 0.000 0.280 675 G C 1.286 176.214 174.900 0.046 0.000 1.386 675 G CA -0.268 44.852 45.100 0.032 0.000 1.047 675 G HN 0.287 nan 8.290 nan 0.000 0.527 676 A N -1.344 121.507 122.820 0.051 0.000 1.933 676 A HA 0.258 4.578 4.320 0.000 0.000 0.218 676 A C 1.561 179.201 177.584 0.094 0.000 1.175 676 A CA 2.304 54.390 52.037 0.082 0.000 0.628 676 A CB -0.796 18.257 19.000 0.088 0.000 0.814 676 A HN 1.374 nan 8.150 nan 0.000 0.444 677 T N -5.746 108.845 114.554 0.061 0.000 2.812 677 T HA 0.682 5.032 4.350 0.000 0.000 0.294 677 T C -0.261 174.460 174.700 0.036 0.000 1.159 677 T CA -0.075 62.061 62.100 0.059 0.000 1.008 677 T CB 1.560 70.449 68.868 0.035 0.000 1.289 677 T HN 1.487 nan 8.240 nan 0.000 0.514 678 G N 0.099 108.917 108.800 0.030 0.000 2.342 678 G HA2 0.532 4.492 3.960 0.000 0.000 0.297 678 G HA3 0.532 4.492 3.960 0.000 0.000 0.297 678 G C -2.316 172.573 174.900 -0.018 0.000 1.313 678 G CA -0.985 44.116 45.100 0.002 0.000 0.830 678 G HN 0.866 nan 8.290 nan 0.000 0.506 679 N N -1.062 117.610 118.700 -0.047 0.000 2.249 679 N HA 0.727 5.467 4.740 0.000 0.000 0.296 679 N C -1.121 174.310 175.510 -0.130 0.000 1.051 679 N CA -0.477 52.532 53.050 -0.069 0.000 0.815 679 N CB 2.428 40.901 38.487 -0.025 0.000 1.487 679 N HN 0.461 nan 8.380 nan 0.000 0.475 680 I N 1.411 121.846 120.570 -0.225 0.000 2.468 680 I HA 0.327 4.497 4.170 0.000 0.000 0.284 680 I C -0.790 175.301 176.117 -0.043 0.000 1.038 680 I CA -0.369 60.795 61.300 -0.227 0.000 1.083 680 I CB 1.799 39.441 38.000 -0.596 0.000 1.223 680 I HN 0.339 nan 8.210 nan 0.000 0.443 681 T N 6.043 120.628 114.554 0.051 0.000 2.812 681 T HA 0.631 4.981 4.350 0.000 0.000 0.282 681 T C -0.290 174.487 174.700 0.127 0.000 0.990 681 T CA -0.548 61.611 62.100 0.098 0.000 0.960 681 T CB 1.810 70.712 68.868 0.056 0.000 0.948 681 T HN 0.397 nan 8.240 nan 0.000 0.438 682 V N 0.754 120.751 119.914 0.137 0.000 3.158 682 V HA 0.881 5.001 4.120 0.000 0.000 0.311 682 V C -0.475 175.680 176.094 0.102 0.000 1.181 682 V CA -0.884 61.477 62.300 0.103 0.000 1.054 682 V CB 2.079 33.849 31.823 -0.088 0.000 1.085 682 V HN 0.705 nan 8.190 nan 0.000 0.446 683 T N 2.221 116.875 114.554 0.167 0.000 2.823 683 T HA 0.331 4.681 4.350 0.000 0.000 0.279 683 T C -0.548 174.334 174.700 0.303 0.000 0.998 683 T CA -0.049 62.171 62.100 0.199 0.000 0.994 683 T CB 1.159 70.129 68.868 0.171 0.000 0.960 683 T HN 0.832 nan 8.240 nan 0.000 0.448 684 W N 3.924 125.290 121.300 0.110 0.000 2.295 684 W HA 0.033 4.693 4.660 0.000 0.000 0.335 684 W C -0.393 176.231 176.519 0.175 0.000 1.351 684 W CA 0.018 57.458 57.345 0.158 0.000 1.273 684 W CB 0.151 29.652 29.460 0.069 0.000 1.214 684 W HN 0.663 nan 8.180 nan 0.000 0.563 685 Q N 5.450 125.230 119.800 -0.034 0.000 2.322 685 Q HA 0.124 4.464 4.340 0.000 0.000 0.256 685 Q C 0.309 176.378 176.000 0.114 0.000 0.960 685 Q CA -0.389 55.429 55.803 0.027 0.000 0.934 685 Q CB 0.979 29.655 28.738 -0.104 0.000 1.200 685 Q HN 0.379 nan 8.270 nan 0.000 0.435 686 N N 0.000 118.847 118.700 0.245 0.000 1.763 686 N HA 0.000 4.740 4.740 0.000 0.000 0.220 686 N CA 0.000 53.220 53.050 0.283 0.000 0.885 686 N CB 0.000 38.627 38.487 0.233 0.000 1.341 686 N HN 0.000 nan 8.380 nan 0.000 0.667