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 1ay8_1_A DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF RADPRQGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.305 176.300 0.008 0.000 1.140 5 M CA 0.000 55.304 55.300 0.007 0.000 0.988 5 M CB 0.000 32.604 32.600 0.007 0.000 1.302 6 L N 1.098 122.326 121.223 0.008 0.000 2.551 6 L HA -0.029 4.311 4.340 -0.000 0.000 0.230 6 L C 1.985 178.860 176.870 0.008 0.000 1.163 6 L CA 1.294 56.140 54.840 0.009 0.000 0.826 6 L CB -0.979 41.085 42.059 0.009 0.000 0.943 6 L HN 0.636 nan 8.230 nan 0.000 0.452 7 G N -0.113 108.692 108.800 0.007 0.000 2.572 7 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 7 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 7 G C 1.266 176.170 174.900 0.007 0.000 1.133 7 G CA 0.091 45.194 45.100 0.006 0.000 0.791 7 G HN 0.368 nan 8.290 nan 0.000 0.538 8 N N 0.060 118.764 118.700 0.008 0.000 2.515 8 N HA 0.043 4.783 4.740 -0.000 0.000 0.185 8 N C 0.400 175.917 175.510 0.011 0.000 1.109 8 N CA -0.146 52.909 53.050 0.008 0.000 0.903 8 N CB 0.093 38.585 38.487 0.008 0.000 0.969 8 N HN 0.148 nan 8.380 nan 0.000 0.450 9 L N 2.192 123.422 121.223 0.012 0.000 2.559 9 L HA -0.033 4.307 4.340 -0.000 0.000 0.274 9 L C 0.418 177.297 176.870 0.014 0.000 1.205 9 L CA 0.393 55.242 54.840 0.015 0.000 0.907 9 L CB 0.210 42.277 42.059 0.014 0.000 1.153 9 L HN -0.146 nan 8.230 nan 0.000 0.490 10 K N 6.468 126.878 120.400 0.017 0.000 2.298 10 K HA 0.301 4.621 4.320 -0.000 0.000 0.280 10 K C -2.118 174.490 176.600 0.014 0.000 1.032 10 K CA -1.594 54.702 56.287 0.015 0.000 0.958 10 K CB 0.181 32.692 32.500 0.018 0.000 0.978 10 K HN 0.435 nan 8.250 nan 0.000 0.472 11 P HA 0.050 nan 4.420 nan 0.000 0.267 11 P C -0.641 176.661 177.300 0.004 0.000 1.205 11 P CA -0.137 62.966 63.100 0.005 0.000 0.765 11 P CB 0.711 32.413 31.700 0.003 0.000 0.828 12 Q N 1.295 121.095 119.800 -0.000 0.000 2.256 12 Q HA 0.519 4.859 4.340 -0.000 0.000 0.257 12 Q C 0.044 176.036 176.000 -0.013 0.000 0.936 12 Q CA -0.668 55.131 55.803 -0.006 0.000 0.903 12 Q CB 2.195 30.925 28.738 -0.013 0.000 1.263 12 Q HN 0.556 nan 8.270 nan 0.000 0.440 13 A N 4.234 127.044 122.820 -0.017 0.000 2.462 13 A HA 0.471 4.791 4.320 -0.000 0.000 0.243 13 A C -1.750 175.817 177.584 -0.029 0.000 1.076 13 A CA -0.723 51.302 52.037 -0.020 0.000 0.773 13 A CB -0.549 18.438 19.000 -0.022 0.000 1.010 13 A HN 0.475 nan 8.150 nan 0.000 0.493 14 P HA 0.197 nan 4.420 nan 0.000 0.272 14 P C 0.008 177.285 177.300 -0.038 0.000 1.254 14 P CA -0.274 62.809 63.100 -0.027 0.000 0.795 14 P CB 0.399 32.089 31.700 -0.017 0.000 1.022 15 D N -0.053 120.323 120.400 -0.040 0.000 2.087 15 D HA -0.190 4.450 4.640 -0.000 0.000 0.192 15 D C 1.119 177.389 176.300 -0.050 0.000 0.993 15 D CA 1.635 55.604 54.000 -0.052 0.000 0.828 15 D CB -0.006 40.769 40.800 -0.041 0.000 0.968 15 D HN 0.314 nan 8.370 nan 0.000 0.448 16 K N -2.375 118.006 120.400 -0.030 0.000 3.546 16 K HA -0.098 4.222 4.320 -0.000 0.000 0.261 16 K C 1.112 177.705 176.600 -0.010 0.000 0.895 16 K CA 0.621 56.896 56.287 -0.020 0.000 1.140 16 K CB -1.761 30.720 32.500 -0.031 0.000 1.240 16 K HN 0.204 nan 8.250 nan 0.000 0.619 17 I N 2.505 123.065 120.570 -0.016 0.000 2.567 17 I HA -0.202 3.968 4.170 -0.000 0.000 0.257 17 I C 1.982 178.100 176.117 0.001 0.000 1.184 17 I CA 1.321 62.617 61.300 -0.008 0.000 1.451 17 I CB -0.391 37.605 38.000 -0.007 0.000 1.089 17 I HN 0.243 nan 8.210 nan 0.000 0.441 18 L N -0.621 120.604 121.223 0.003 0.000 2.354 18 L HA 0.255 4.595 4.340 -0.000 0.000 0.212 18 L C 2.498 179.382 176.870 0.022 0.000 1.091 18 L CA 1.560 56.406 54.840 0.010 0.000 0.828 18 L CB -1.973 40.090 42.059 0.005 0.000 0.973 18 L HN 0.062 nan 8.230 nan 0.000 0.461 19 A N 1.563 124.397 122.820 0.023 0.000 1.898 19 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 19 A C 2.383 180.004 177.584 0.062 0.000 1.181 19 A CA 1.740 53.798 52.037 0.036 0.000 0.620 19 A CB -0.687 18.330 19.000 0.029 0.000 0.819 19 A HN 0.524 nan 8.150 nan 0.000 0.442 20 L N -1.512 119.750 121.223 0.065 0.000 2.093 20 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 20 L C 2.796 179.726 176.870 0.100 0.000 1.085 20 L CA 0.984 55.888 54.840 0.107 0.000 0.755 20 L CB -0.714 41.395 42.059 0.082 0.000 0.904 20 L HN 0.292 nan 8.230 nan 0.000 0.435 21 M N 0.530 120.164 119.600 0.056 0.000 2.086 21 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 21 M C 2.381 178.728 176.300 0.078 0.000 1.067 21 M CA 1.988 57.322 55.300 0.057 0.000 1.116 21 M CB -1.244 31.374 32.600 0.030 0.000 1.348 21 M HN 0.389 nan 8.290 nan 0.000 0.407 22 G N -0.454 108.379 108.800 0.056 0.000 2.422 22 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 22 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 22 G C 1.423 176.348 174.900 0.042 0.000 1.146 22 G CA 1.059 46.183 45.100 0.041 0.000 0.769 22 G HN 0.590 nan 8.290 nan 0.000 0.547 23 E N -0.553 119.695 120.200 0.080 0.000 2.047 23 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 23 E C 2.078 178.700 176.600 0.037 0.000 0.987 23 E CA 0.661 57.130 56.400 0.115 0.000 0.799 23 E CB -0.287 29.549 29.700 0.228 0.000 0.752 23 E HN 0.349 nan 8.360 nan 0.000 0.449 24 F N 1.776 121.569 119.950 -0.261 0.000 2.095 24 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 24 F C 2.268 177.873 175.800 -0.325 0.000 1.104 24 F CA 1.740 59.345 58.000 -0.659 0.000 1.232 24 F CB -0.089 38.513 39.000 -0.663 0.000 0.987 24 F HN -0.091 nan 8.300 nan 0.000 0.475 25 R N 0.044 120.440 120.500 -0.174 0.000 2.096 25 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 25 R C 2.370 178.557 176.300 -0.189 0.000 1.127 25 R CA 1.116 57.102 56.100 -0.190 0.000 0.968 25 R CB -0.825 29.453 30.300 -0.037 0.000 0.861 25 R HN 0.381 nan 8.270 nan 0.000 0.440 26 A N 1.151 123.898 122.820 -0.122 0.000 2.067 26 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 26 A C 0.729 178.255 177.584 -0.096 0.000 1.158 26 A CA 0.459 52.449 52.037 -0.078 0.000 0.661 26 A CB -0.206 18.780 19.000 -0.024 0.000 0.801 26 A HN 0.124 nan 8.150 nan 0.000 0.452 27 D N 0.556 120.862 120.400 -0.158 0.000 2.382 27 D HA 0.102 4.742 4.640 -0.000 0.000 0.259 27 D C -1.635 174.574 176.300 -0.152 0.000 1.224 27 D CA -1.519 52.406 54.000 -0.124 0.000 0.894 27 D CB 1.081 41.802 40.800 -0.132 0.000 1.127 27 D HN 0.193 nan 8.370 nan 0.000 0.487 28 P HA 0.030 nan 4.420 nan 0.000 0.253 28 P C 0.027 177.288 177.300 -0.066 0.000 1.260 28 P CA 0.005 63.060 63.100 -0.075 0.000 0.800 28 P CB 0.333 32.006 31.700 -0.046 0.000 1.162 29 R N 0.540 121.001 120.500 -0.066 0.000 2.347 29 R HA 0.130 4.470 4.340 -0.000 0.000 0.304 29 R C 1.246 177.515 176.300 -0.051 0.000 1.072 29 R CA -0.218 55.859 56.100 -0.038 0.000 0.980 29 R CB 0.586 30.885 30.300 -0.001 0.000 0.986 29 R HN -0.039 nan 8.270 nan 0.000 0.448 30 Q N 1.123 120.906 119.800 -0.028 0.000 2.167 30 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 30 Q C 1.617 177.617 176.000 0.000 0.000 0.970 30 Q CA 1.583 57.373 55.803 -0.022 0.000 0.855 30 Q CB 0.169 28.900 28.738 -0.011 0.000 0.911 30 Q HN 0.874 nan 8.270 nan 0.000 0.438 31 G N 0.948 109.760 108.800 0.021 0.000 3.383 31 G HA2 0.051 4.011 3.960 -0.000 0.000 0.251 31 G HA3 0.051 4.011 3.960 -0.000 0.000 0.251 31 G C -0.426 174.532 174.900 0.097 0.000 1.203 31 G CA -0.493 44.639 45.100 0.054 0.000 0.852 31 G HN 0.278 nan 8.290 nan 0.000 0.531 32 K N 0.230 120.681 120.400 0.085 0.000 2.382 32 K HA 0.456 4.776 4.320 -0.000 0.000 0.275 32 K C -0.676 176.121 176.600 0.329 0.000 1.009 32 K CA -0.085 56.316 56.287 0.189 0.000 0.970 32 K CB 1.252 33.743 32.500 -0.016 0.000 0.934 32 K HN 0.025 nan 8.250 nan 0.000 0.479 33 I N 1.393 122.228 120.570 0.442 0.000 2.569 33 I HA 0.146 4.316 4.170 -0.000 0.000 0.296 33 I C -1.057 175.211 176.117 0.251 0.000 1.028 33 I CA -0.976 60.513 61.300 0.314 0.000 1.082 33 I CB 2.120 40.227 38.000 0.179 0.000 1.264 33 I HN 0.715 nan 8.210 nan 0.000 0.429 34 D N 5.495 125.830 120.400 -0.107 0.000 2.461 34 D HA 0.346 4.985 4.640 -0.000 0.000 0.240 34 D C -0.273 175.925 176.300 -0.170 0.000 1.094 34 D CA -0.258 53.484 54.000 -0.430 0.000 0.868 34 D CB 1.282 41.424 40.800 -1.097 0.000 1.062 34 D HN 0.198 nan 8.370 nan 0.000 0.530 35 L N 3.131 124.327 121.223 -0.044 0.000 2.700 35 L HA 0.412 4.752 4.340 -0.000 0.000 0.234 35 L C 1.930 178.821 176.870 0.034 0.000 1.156 35 L CA 0.193 55.038 54.840 0.008 0.000 0.946 35 L CB 0.542 42.628 42.059 0.045 0.000 1.216 35 L HN 0.598 nan 8.230 nan 0.000 0.493 36 G N -0.916 107.877 108.800 -0.011 0.000 2.986 36 G HA2 0.139 4.099 3.960 -0.000 0.000 0.213 36 G HA3 0.139 4.099 3.960 -0.000 0.000 0.213 36 G C 0.570 175.484 174.900 0.023 0.000 1.156 36 G CA 0.372 45.481 45.100 0.014 0.000 0.763 36 G HN 0.165 nan 8.290 nan 0.000 0.547 37 V N -1.076 118.837 119.914 -0.001 0.000 2.788 37 V HA 0.539 4.659 4.120 -0.000 0.000 0.307 37 V C 1.170 177.365 176.094 0.168 0.000 1.069 37 V CA 0.302 62.615 62.300 0.022 0.000 1.173 37 V CB 1.159 32.960 31.823 -0.037 0.000 0.925 37 V HN 0.062 nan 8.190 nan 0.000 0.492 38 G N 3.045 111.951 108.800 0.176 0.000 3.605 38 G HA2 0.498 4.458 3.960 -0.000 0.000 0.277 38 G HA3 0.498 4.458 3.960 -0.000 0.000 0.277 38 G C 0.082 175.168 174.900 0.310 0.000 1.093 38 G CA 0.497 45.820 45.100 0.372 0.000 0.821 38 G HN 1.443 nan 8.290 nan 0.000 0.532 39 V N -3.612 116.379 119.914 0.129 0.000 3.130 39 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 39 V C -0.737 175.419 176.094 0.104 0.000 1.158 39 V CA -2.098 60.244 62.300 0.070 0.000 1.029 39 V CB 1.541 33.194 31.823 -0.283 0.000 1.057 39 V HN 0.116 nan 8.190 nan 0.000 0.436 40 Y N 1.729 122.110 120.300 0.135 0.000 2.346 40 Y HA 0.610 5.160 4.550 -0.000 0.000 0.330 40 Y C 0.162 176.125 175.900 0.104 0.000 1.178 40 Y CA 0.141 58.323 58.100 0.136 0.000 1.331 40 Y CB 0.783 39.408 38.460 0.276 0.000 1.253 40 Y HN 0.765 nan 8.280 nan 0.000 0.529 41 K N 5.308 125.192 120.400 -0.860 0.000 2.468 41 K HA 0.211 4.530 4.320 -0.000 0.000 0.252 41 K C -1.117 174.951 176.600 -0.886 0.000 0.932 41 K CA -1.028 54.895 56.287 -0.606 0.000 0.794 41 K CB 1.631 33.951 32.500 -0.299 0.000 1.241 41 K HN 0.765 nan 8.250 nan 0.000 0.428 42 D N 1.142 121.266 120.400 -0.461 0.000 2.376 42 D HA 0.123 4.762 4.640 -0.000 0.000 0.268 42 D C 1.098 177.308 176.300 -0.149 0.000 1.252 42 D CA -0.340 53.536 54.000 -0.205 0.000 1.041 42 D CB 0.158 41.003 40.800 0.075 0.000 1.109 42 D HN 0.402 nan 8.370 nan 0.000 0.552 43 A N -0.877 121.910 122.820 -0.056 0.000 1.978 43 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 43 A C 1.987 179.511 177.584 -0.100 0.000 1.170 43 A CA 2.552 54.554 52.037 -0.059 0.000 0.636 43 A CB -1.470 17.520 19.000 -0.016 0.000 0.810 43 A HN 0.745 nan 8.150 nan 0.000 0.448 44 T N -4.063 110.411 114.554 -0.133 0.000 3.169 44 T HA 0.399 4.749 4.350 -0.000 0.000 0.250 44 T C 1.194 175.588 174.700 -0.510 0.000 1.111 44 T CA 0.969 62.914 62.100 -0.259 0.000 1.010 44 T CB -0.287 68.464 68.868 -0.196 0.000 0.984 44 T HN 1.761 nan 8.240 nan 0.000 0.537 45 G N 0.997 109.590 108.800 -0.344 0.000 2.198 45 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.257 45 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.257 45 G C -0.256 174.474 174.900 -0.283 0.000 1.042 45 G CA 0.148 45.068 45.100 -0.300 0.000 0.791 45 G HN 0.814 nan 8.290 nan 0.000 0.502 46 H N -1.078 117.963 119.070 -0.048 0.000 2.731 46 H HA 0.654 5.209 4.556 -0.000 0.000 0.368 46 H C -0.332 174.993 175.328 -0.006 0.000 1.168 46 H CA -0.553 55.486 56.048 -0.015 0.000 1.181 46 H CB 1.817 31.588 29.762 0.016 0.000 1.743 46 H HN 0.090 nan 8.280 nan 0.000 0.547 47 T N 4.537 119.199 114.554 0.180 0.000 3.149 47 T HA 0.179 4.529 4.350 -0.000 0.000 0.373 47 T C -2.031 172.806 174.700 0.228 0.000 1.364 47 T CA -1.257 60.960 62.100 0.195 0.000 1.110 47 T CB 0.145 69.084 68.868 0.118 0.000 1.127 47 T HN 0.436 nan 8.240 nan 0.000 0.576 48 P HA 0.348 nan 4.420 nan 0.000 0.274 48 P C -0.489 176.942 177.300 0.218 0.000 1.260 48 P CA -0.548 62.674 63.100 0.203 0.000 0.793 48 P CB 1.148 32.967 31.700 0.198 0.000 1.048 49 I N 0.784 121.457 120.570 0.173 0.000 2.336 49 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 49 I C 1.055 177.274 176.117 0.170 0.000 0.991 49 I CA -0.814 60.596 61.300 0.184 0.000 1.227 49 I CB 0.863 38.973 38.000 0.182 0.000 1.366 49 I HN 0.203 nan 8.210 nan 0.000 0.466 50 M N 5.459 125.169 119.600 0.183 0.000 2.250 50 M HA 0.085 4.565 4.480 -0.000 0.000 0.337 50 M C 1.434 177.833 176.300 0.166 0.000 1.161 50 M CA 0.396 55.798 55.300 0.171 0.000 1.088 50 M CB 0.383 33.111 32.600 0.215 0.000 1.639 50 M HN 0.561 nan 8.290 nan 0.000 0.447 51 R N 2.005 122.584 120.500 0.132 0.000 2.113 51 R HA -0.212 4.128 4.340 -0.000 0.000 0.244 51 R C 2.126 178.517 176.300 0.152 0.000 1.142 51 R CA 1.974 58.146 56.100 0.120 0.000 0.953 51 R CB -0.702 29.647 30.300 0.081 0.000 0.860 51 R HN 0.887 nan 8.270 nan 0.000 0.438 52 A N 0.657 123.573 122.820 0.159 0.000 1.972 52 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 52 A C 2.385 180.040 177.584 0.117 0.000 1.169 52 A CA 1.337 53.463 52.037 0.148 0.000 0.635 52 A CB -0.381 18.740 19.000 0.201 0.000 0.810 52 A HN 0.136 nan 8.150 nan 0.000 0.446 53 V N -0.553 119.443 119.914 0.137 0.000 2.358 53 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 53 V C 2.503 178.650 176.094 0.088 0.000 1.047 53 V CA 2.003 64.358 62.300 0.091 0.000 1.035 53 V CB -0.919 30.977 31.823 0.121 0.000 0.658 53 V HN 0.789 nan 8.190 nan 0.000 0.452 54 H N 0.421 119.525 119.070 0.056 0.000 2.423 54 H HA -0.078 4.477 4.556 -0.000 0.000 0.297 54 H C 2.197 177.547 175.328 0.036 0.000 1.075 54 H CA 1.637 57.715 56.048 0.050 0.000 1.342 54 H CB 0.212 30.006 29.762 0.055 0.000 1.395 54 H HN 0.404 nan 8.280 nan 0.000 0.530 55 A N 0.884 123.786 122.820 0.137 0.000 1.897 55 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 55 A C 2.702 180.285 177.584 -0.001 0.000 1.181 55 A CA 1.392 53.478 52.037 0.081 0.000 0.620 55 A CB -0.889 18.166 19.000 0.091 0.000 0.821 55 A HN 0.506 nan 8.150 nan 0.000 0.443 56 A N -0.178 122.631 122.820 -0.019 0.000 1.933 56 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 56 A C 1.917 179.444 177.584 -0.096 0.000 1.175 56 A CA 1.645 53.642 52.037 -0.065 0.000 0.628 56 A CB -0.500 18.441 19.000 -0.099 0.000 0.814 56 A HN 0.624 nan 8.150 nan 0.000 0.444 57 E N -0.467 119.666 120.200 -0.113 0.000 2.106 57 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 57 E C 2.288 178.830 176.600 -0.097 0.000 0.984 57 E CA 1.242 57.580 56.400 -0.102 0.000 0.806 57 E CB -0.152 29.495 29.700 -0.089 0.000 0.750 57 E HN 0.741 nan 8.360 nan 0.000 0.458 58 Q N 0.221 119.938 119.800 -0.139 0.000 2.079 58 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 58 Q C 2.233 178.210 176.000 -0.038 0.000 0.974 58 Q CA 1.027 56.776 55.803 -0.089 0.000 0.840 58 Q CB -0.122 28.580 28.738 -0.060 0.000 0.898 58 Q HN 0.099 nan 8.270 nan 0.000 0.430 59 R N 0.442 120.922 120.500 -0.034 0.000 2.081 59 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 59 R C 2.198 178.489 176.300 -0.015 0.000 1.131 59 R CA 1.448 57.536 56.100 -0.019 0.000 0.960 59 R CB -0.019 30.268 30.300 -0.021 0.000 0.856 59 R HN 0.241 nan 8.270 nan 0.000 0.436 60 M N -0.135 119.451 119.600 -0.023 0.000 2.175 60 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 60 M C 2.064 178.379 176.300 0.024 0.000 1.063 60 M CA 1.058 56.359 55.300 0.002 0.000 1.119 60 M CB -0.212 32.380 32.600 -0.012 0.000 1.377 60 M HN 0.172 nan 8.290 nan 0.000 0.415 61 L N 0.595 121.828 121.223 0.016 0.000 2.265 61 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 61 L C 1.786 178.658 176.870 0.005 0.000 1.117 61 L CA 1.885 56.733 54.840 0.014 0.000 0.782 61 L CB -0.361 41.699 42.059 0.000 0.000 0.914 61 L HN 0.281 nan 8.230 nan 0.000 0.441 62 E N -2.041 118.160 120.200 0.002 0.000 2.364 62 E HA -0.016 4.333 4.350 -0.000 0.000 0.196 62 E C 1.700 178.300 176.600 0.002 0.000 0.990 62 E CA 0.936 57.336 56.400 0.001 0.000 0.886 62 E CB 0.200 29.900 29.700 0.000 0.000 0.866 62 E HN 0.638 nan 8.360 nan 0.000 0.493 63 T N -1.812 112.745 114.554 0.005 0.000 3.023 63 T HA 0.073 4.423 4.350 -0.000 0.000 0.249 63 T C 1.024 175.728 174.700 0.008 0.000 1.050 63 T CA -0.146 61.957 62.100 0.006 0.000 1.088 63 T CB 0.277 69.150 68.868 0.009 0.000 0.946 63 T HN -0.182 nan 8.240 nan 0.000 0.480 67 T N 0.383 114.877 114.554 -0.100 0.000 2.843 67 T HA 0.638 4.988 4.350 -0.000 0.000 0.302 67 T C -1.585 172.988 174.700 -0.211 0.000 1.232 67 T CA -0.602 61.414 62.100 -0.140 0.000 1.009 67 T CB 2.133 70.919 68.868 -0.136 0.000 1.254 67 T HN 0.141 nan 8.240 nan 0.000 0.504 68 K N 1.721 121.975 120.400 -0.244 0.000 2.706 68 K HA 0.247 4.567 4.320 -0.000 0.000 0.203 68 K C 0.045 176.417 176.600 -0.380 0.000 1.102 68 K CA -0.329 55.762 56.287 -0.327 0.000 1.058 68 K CB 0.761 33.110 32.500 -0.251 0.000 0.779 68 K HN 0.669 nan 8.250 nan 0.000 0.483 69 T N 0.435 114.781 114.554 -0.346 0.000 2.734 69 T HA 0.026 4.376 4.350 -0.000 0.000 0.314 69 T C 0.350 174.787 174.700 -0.438 0.000 1.057 69 T CA -0.011 61.855 62.100 -0.390 0.000 1.047 69 T CB 0.273 68.997 68.868 -0.239 0.000 0.991 69 T HN -0.011 nan 8.240 nan 0.000 0.540 70 Y N 0.596 120.673 120.300 -0.373 0.000 2.712 70 Y HA 0.352 4.902 4.550 -0.000 0.000 0.333 70 Y C 0.915 176.544 175.900 -0.451 0.000 1.225 70 Y CA -0.008 57.712 58.100 -0.634 0.000 1.499 70 Y CB -0.315 37.660 38.460 -0.808 0.000 1.288 70 Y HN 0.857 nan 8.280 nan 0.000 0.575 71 A N 2.372 125.038 122.820 -0.256 0.000 3.944 71 A HA 0.768 5.088 4.320 -0.000 0.000 0.151 71 A C 0.565 178.252 177.584 0.172 0.000 1.301 71 A CA -0.233 51.780 52.037 -0.040 0.000 1.020 71 A CB -0.533 18.452 19.000 -0.026 0.000 1.627 71 A HN 0.821 nan 8.150 nan 0.000 0.661 72 G N -0.663 108.275 108.800 0.231 0.000 2.364 72 G HA2 0.413 4.373 3.960 -0.000 0.000 0.267 72 G HA3 0.413 4.373 3.960 -0.000 0.000 0.267 72 G C 0.552 175.678 174.900 0.377 0.000 1.233 72 G CA -0.042 45.222 45.100 0.274 0.000 0.885 72 G HN 0.722 nan 8.290 nan 0.000 0.490 73 L N 2.789 124.196 121.223 0.306 0.000 2.012 73 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 73 L C 2.641 179.566 176.870 0.092 0.000 1.073 73 L CA 2.637 57.522 54.840 0.076 0.000 0.748 73 L CB -0.060 41.926 42.059 -0.122 0.000 0.891 73 L HN 0.569 nan 8.230 nan 0.000 0.431 74 S N -1.360 114.405 115.700 0.108 0.000 2.572 74 S HA 0.607 5.077 4.470 -0.000 0.000 0.228 74 S C 0.641 175.332 174.600 0.151 0.000 0.963 74 S CA -0.065 58.201 58.200 0.111 0.000 0.939 74 S CB -0.292 62.956 63.200 0.082 0.000 0.804 74 S HN 0.794 nan 8.310 nan 0.000 0.480 75 G N 0.635 109.541 108.800 0.176 0.000 2.479 75 G HA2 0.100 4.060 3.960 -0.000 0.000 0.686 75 G HA3 0.100 4.060 3.960 -0.000 0.000 0.686 75 G C -1.567 173.440 174.900 0.180 0.000 1.295 75 G CA -1.069 44.140 45.100 0.182 0.000 0.922 75 G HN 0.188 nan 8.290 nan 0.000 0.582 76 E N 0.733 121.039 120.200 0.176 0.000 2.249 76 E HA 0.561 4.911 4.350 -0.000 0.000 0.280 76 E C -1.322 175.372 176.600 0.156 0.000 1.016 76 E CA -2.038 54.459 56.400 0.161 0.000 0.830 76 E CB 1.448 31.234 29.700 0.144 0.000 1.081 76 E HN 0.145 nan 8.360 nan 0.000 0.395 77 P HA -0.236 nan 4.420 nan 0.000 0.216 77 P C 0.989 178.328 177.300 0.065 0.000 1.157 77 P CA 1.347 64.494 63.100 0.078 0.000 0.880 77 P CB 0.335 32.072 31.700 0.061 0.000 0.791 78 E N -1.721 118.522 120.200 0.070 0.000 2.118 78 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 78 E C 1.791 178.425 176.600 0.057 0.000 0.992 78 E CA 0.952 57.381 56.400 0.047 0.000 0.804 78 E CB -0.495 29.228 29.700 0.040 0.000 0.741 78 E HN 0.136 nan 8.360 nan 0.000 0.458 79 F N 1.397 121.303 119.950 -0.074 0.000 2.128 79 F HA -0.085 4.442 4.527 -0.000 0.000 0.295 79 F C 2.245 178.001 175.800 -0.072 0.000 1.100 79 F CA 1.563 59.498 58.000 -0.108 0.000 1.260 79 F CB -0.268 38.652 39.000 -0.133 0.000 1.009 79 F HN -0.005 nan 8.300 nan 0.000 0.476 80 Q N -0.035 119.746 119.800 -0.033 0.000 2.096 80 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 80 Q C 2.136 178.046 176.000 -0.150 0.000 0.982 80 Q CA 2.012 57.745 55.803 -0.116 0.000 0.850 80 Q CB -0.306 28.442 28.738 0.016 0.000 0.901 80 Q HN 0.180 nan 8.270 nan 0.000 0.422 81 K N 0.912 121.259 120.400 -0.088 0.000 2.031 81 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 81 K C 1.862 178.399 176.600 -0.104 0.000 1.049 81 K CA 1.450 57.693 56.287 -0.073 0.000 0.939 81 K CB -0.572 31.909 32.500 -0.033 0.000 0.717 81 K HN 0.159 nan 8.250 nan 0.000 0.438 82 A N 0.699 123.442 122.820 -0.128 0.000 1.902 82 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 82 A C 2.189 179.661 177.584 -0.185 0.000 1.181 82 A CA 1.832 53.791 52.037 -0.131 0.000 0.623 82 A CB -0.488 18.439 19.000 -0.122 0.000 0.818 82 A HN 0.320 nan 8.150 nan 0.000 0.443 83 M N -0.670 118.722 119.600 -0.346 0.000 2.132 83 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 83 M C 2.335 178.521 176.300 -0.190 0.000 1.065 83 M CA 1.496 56.582 55.300 -0.356 0.000 1.122 83 M CB -1.695 30.510 32.600 -0.659 0.000 1.365 83 M HN 0.494 nan 8.290 nan 0.000 0.411 84 G N -0.068 108.633 108.800 -0.165 0.000 2.418 84 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 84 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 84 G C 1.479 176.341 174.900 -0.062 0.000 1.158 84 G CA 0.675 45.718 45.100 -0.095 0.000 0.771 84 G HN 0.517 nan 8.290 nan 0.000 0.545 85 E N -0.242 119.923 120.200 -0.058 0.000 2.107 85 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 85 E C 2.365 178.957 176.600 -0.013 0.000 0.982 85 E CA 0.079 56.461 56.400 -0.031 0.000 0.809 85 E CB -0.143 29.543 29.700 -0.024 0.000 0.756 85 E HN 0.278 nan 8.360 nan 0.000 0.459 86 L N 1.017 122.234 121.223 -0.010 0.000 2.046 86 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 86 L C 2.034 178.920 176.870 0.026 0.000 1.077 86 L CA 1.573 56.434 54.840 0.036 0.000 0.747 86 L CB -0.194 41.905 42.059 0.067 0.000 0.896 86 L HN 0.194 nan 8.230 nan 0.000 0.432 87 I N -0.547 120.021 120.570 -0.003 0.000 2.296 87 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 87 I C 2.073 178.176 176.117 -0.023 0.000 1.087 87 I CA 0.881 62.175 61.300 -0.009 0.000 1.393 87 I CB 0.008 37.994 38.000 -0.022 0.000 1.093 87 I HN 0.161 nan 8.210 nan 0.000 0.421 88 L N 0.087 121.293 121.223 -0.029 0.000 2.607 88 L HA 0.317 4.657 4.340 -0.000 0.000 0.228 88 L C 1.447 178.301 176.870 -0.026 0.000 1.123 88 L CA 0.118 54.939 54.840 -0.032 0.000 0.890 88 L CB -0.541 41.498 42.059 -0.033 0.000 1.103 88 L HN 0.432 nan 8.230 nan 0.000 0.468 89 G N 1.045 109.834 108.800 -0.019 0.000 2.614 89 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.303 89 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.303 89 G C 0.505 175.396 174.900 -0.015 0.000 1.270 89 G CA 0.492 45.584 45.100 -0.014 0.000 0.988 89 G HN 0.303 nan 8.290 nan 0.000 0.551 90 D N 1.933 122.325 120.400 -0.013 0.000 2.348 90 D HA 0.110 4.750 4.640 -0.000 0.000 0.216 90 D C 1.708 178.000 176.300 -0.014 0.000 0.970 90 D CA 1.214 55.207 54.000 -0.012 0.000 0.889 90 D CB -0.422 40.372 40.800 -0.010 0.000 0.912 90 D HN 0.640 nan 8.370 nan 0.000 0.524 96 K N 3.449 123.842 120.400 -0.012 0.000 2.356 96 K HA 0.373 4.693 4.320 -0.000 0.000 0.243 96 K C 0.900 177.495 176.600 -0.007 0.000 1.072 96 K CA -0.135 56.148 56.287 -0.008 0.000 1.014 96 K CB 0.962 33.458 32.500 -0.007 0.000 1.523 96 K HN 0.731 nan 8.250 nan 0.000 0.455 97 S N 1.377 117.073 115.700 -0.007 0.000 2.407 97 S HA -0.242 4.228 4.470 -0.000 0.000 0.235 97 S C 1.719 176.318 174.600 -0.001 0.000 1.036 97 S CA 1.385 59.582 58.200 -0.005 0.000 1.013 97 S CB -0.066 63.132 63.200 -0.004 0.000 0.820 97 S HN 0.667 nan 8.310 nan 0.000 0.476 98 E N 0.805 121.005 120.200 -0.001 0.000 2.153 98 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 98 E C 1.341 177.942 176.600 0.001 0.000 0.988 98 E CA 1.559 57.960 56.400 0.001 0.000 0.811 98 E CB -0.010 29.690 29.700 0.001 0.000 0.746 98 E HN 0.701 nan 8.360 nan 0.000 0.466 99 T N -2.153 112.402 114.554 0.000 0.000 3.085 99 T HA 0.189 4.539 4.350 -0.000 0.000 0.264 99 T C 0.158 174.859 174.700 0.002 0.000 1.019 99 T CA -0.435 61.666 62.100 0.001 0.000 0.910 99 T CB 0.687 69.555 68.868 0.001 0.000 1.059 99 T HN -0.158 nan 8.240 nan 0.000 0.542 100 T N 2.719 117.273 114.554 0.000 0.000 2.770 100 T HA 0.738 5.087 4.350 -0.000 0.000 0.283 100 T C -0.174 174.528 174.700 0.004 0.000 0.988 100 T CA -0.585 61.515 62.100 -0.000 0.000 0.957 100 T CB 1.389 70.253 68.868 -0.007 0.000 0.930 100 T HN 0.462 nan 8.240 nan 0.000 0.443 101 A N 3.273 126.099 122.820 0.009 0.000 2.312 101 A HA 0.794 5.114 4.320 -0.000 0.000 0.326 101 A C 0.187 177.782 177.584 0.018 0.000 1.172 101 A CA -0.616 51.430 52.037 0.016 0.000 0.821 101 A CB 0.645 19.657 19.000 0.020 0.000 1.166 101 A HN 0.725 nan 8.150 nan 0.000 0.493 102 T N 1.498 116.067 114.554 0.025 0.000 2.900 102 T HA 0.610 4.960 4.350 -0.000 0.000 0.295 102 T C -1.217 173.519 174.700 0.059 0.000 1.044 102 T CA -0.291 61.826 62.100 0.029 0.000 0.995 102 T CB 1.373 70.245 68.868 0.007 0.000 1.072 102 T HN 0.682 nan 8.240 nan 0.000 0.473 103 L N 2.401 123.671 121.223 0.078 0.000 2.476 103 L HA 0.776 5.116 4.340 -0.000 0.000 0.269 103 L C -0.400 176.564 176.870 0.157 0.000 0.965 103 L CA -0.468 54.438 54.840 0.110 0.000 0.845 103 L CB 1.235 43.349 42.059 0.092 0.000 1.259 103 L HN 0.856 nan 8.230 nan 0.000 0.403 104 A N 2.987 125.929 122.820 0.204 0.000 2.440 104 A HA 0.651 4.970 4.320 -0.000 0.000 0.251 104 A C 0.236 177.926 177.584 0.177 0.000 1.089 104 A CA 0.528 52.712 52.037 0.246 0.000 0.779 104 A CB -0.052 19.051 19.000 0.172 0.000 1.022 104 A HN 0.814 nan 8.150 nan 0.000 0.492 105 T N -1.678 112.967 114.554 0.152 0.000 2.864 105 T HA 0.532 4.882 4.350 -0.000 0.000 0.289 105 T C -0.467 174.264 174.700 0.052 0.000 1.082 105 T CA -0.691 61.494 62.100 0.142 0.000 1.009 105 T CB 1.056 70.014 68.868 0.149 0.000 1.234 105 T HN 0.554 nan 8.240 nan 0.000 0.526 106 V N 2.254 122.187 119.914 0.033 0.000 2.229 106 V HA 0.550 4.670 4.120 -0.000 0.000 0.245 106 V C 1.384 177.490 176.094 0.021 0.000 1.243 106 V CA 0.703 62.977 62.300 -0.043 0.000 1.176 106 V CB -1.128 30.624 31.823 -0.119 0.000 1.323 106 V HN 1.488 nan 8.190 nan 0.000 0.499 107 G N 4.003 112.813 108.800 0.017 0.000 2.855 107 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.352 107 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.352 107 G C 0.844 175.775 174.900 0.051 0.000 1.415 107 G CA -0.215 44.904 45.100 0.032 0.000 0.871 107 G HN 0.981 nan 8.290 nan 0.000 0.543 108 G N -1.383 107.432 108.800 0.026 0.000 2.432 108 G HA2 0.036 3.995 3.960 -0.000 0.000 0.219 108 G HA3 0.036 3.995 3.960 -0.000 0.000 0.219 108 G C 1.867 176.815 174.900 0.080 0.000 1.135 108 G CA 2.328 47.439 45.100 0.019 0.000 0.767 108 G HN 1.286 nan 8.290 nan 0.000 0.550 109 T N 0.952 115.583 114.554 0.129 0.000 2.788 109 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 109 T C 2.486 177.285 174.700 0.165 0.000 1.044 109 T CA 1.391 63.618 62.100 0.213 0.000 1.139 109 T CB -0.456 68.558 68.868 0.244 0.000 0.867 109 T HN 0.350 nan 8.240 nan 0.000 0.454 110 G N 1.019 109.900 108.800 0.135 0.000 2.408 110 G HA2 0.002 3.962 3.960 -0.000 0.000 0.217 110 G HA3 0.002 3.962 3.960 -0.000 0.000 0.217 110 G C 1.828 176.814 174.900 0.143 0.000 1.150 110 G CA 0.810 45.999 45.100 0.148 0.000 0.776 110 G HN 0.576 nan 8.290 nan 0.000 0.542 111 A N 0.623 123.517 122.820 0.123 0.000 1.902 111 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 111 A C 2.437 180.087 177.584 0.111 0.000 1.181 111 A CA 1.246 53.348 52.037 0.109 0.000 0.623 111 A CB -0.415 18.637 19.000 0.087 0.000 0.818 111 A HN 0.351 nan 8.150 nan 0.000 0.443 112 L N -1.173 120.129 121.223 0.131 0.000 2.017 112 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 112 L C 2.785 179.740 176.870 0.141 0.000 1.073 112 L CA 1.821 56.752 54.840 0.151 0.000 0.745 112 L CB -0.461 41.739 42.059 0.234 0.000 0.894 112 L HN 0.403 nan 8.230 nan 0.000 0.432 113 R N 0.073 120.661 120.500 0.146 0.000 2.091 113 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 113 R C 2.303 178.668 176.300 0.109 0.000 1.136 113 R CA 1.548 57.728 56.100 0.133 0.000 0.959 113 R CB -0.391 29.989 30.300 0.134 0.000 0.856 113 R HN 0.322 nan 8.270 nan 0.000 0.437 114 Q N -0.091 119.771 119.800 0.102 0.000 2.079 114 Q HA -0.024 4.316 4.340 -0.000 0.000 0.200 114 Q C 2.139 178.185 176.000 0.076 0.000 0.974 114 Q CA 1.666 57.517 55.803 0.080 0.000 0.840 114 Q CB -0.542 28.244 28.738 0.080 0.000 0.898 114 Q HN 0.465 nan 8.270 nan 0.000 0.430 115 A N 1.021 123.889 122.820 0.081 0.000 1.908 115 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 115 A C 2.116 179.742 177.584 0.070 0.000 1.181 115 A CA 1.336 53.416 52.037 0.071 0.000 0.627 115 A CB -0.552 18.491 19.000 0.072 0.000 0.818 115 A HN 0.253 nan 8.150 nan 0.000 0.445 116 L N -0.012 121.258 121.223 0.078 0.000 2.046 116 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 116 L C 2.486 179.396 176.870 0.066 0.000 1.077 116 L CA 1.757 56.642 54.840 0.075 0.000 0.747 116 L CB -0.989 41.123 42.059 0.089 0.000 0.896 116 L HN 0.400 nan 8.230 nan 0.000 0.432 117 E N -0.871 119.370 120.200 0.068 0.000 2.106 117 E HA -0.199 4.150 4.350 -0.000 0.000 0.192 117 E C 2.214 178.849 176.600 0.058 0.000 0.984 117 E CA 0.808 57.244 56.400 0.061 0.000 0.806 117 E CB -0.326 29.410 29.700 0.060 0.000 0.750 117 E HN 0.279 nan 8.360 nan 0.000 0.458 118 L N 1.115 122.373 121.223 0.059 0.000 1.994 118 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 118 L C 2.284 179.180 176.870 0.043 0.000 1.071 118 L CA 2.120 56.992 54.840 0.053 0.000 0.745 118 L CB -0.804 41.286 42.059 0.052 0.000 0.892 118 L HN 0.036 nan 8.230 nan 0.000 0.431 119 A N -0.450 122.398 122.820 0.046 0.000 1.883 119 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 119 A C 2.555 180.162 177.584 0.037 0.000 1.186 119 A CA 1.918 53.981 52.037 0.043 0.000 0.624 119 A CB -0.753 18.278 19.000 0.051 0.000 0.822 119 A HN 0.498 nan 8.150 nan 0.000 0.444 120 R N -0.988 119.535 120.500 0.039 0.000 2.152 120 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 120 R C 2.107 178.422 176.300 0.024 0.000 1.117 120 R CA 1.648 57.767 56.100 0.031 0.000 0.981 120 R CB -0.313 30.004 30.300 0.029 0.000 0.870 120 R HN 0.614 nan 8.270 nan 0.000 0.451 121 M N -0.311 119.305 119.600 0.028 0.000 2.175 121 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 121 M C 1.906 178.210 176.300 0.008 0.000 1.063 121 M CA 1.936 57.248 55.300 0.020 0.000 1.119 121 M CB 0.081 32.699 32.600 0.029 0.000 1.377 121 M HN 0.253 nan 8.290 nan 0.000 0.415 122 A N -0.475 122.352 122.820 0.012 0.000 2.095 122 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 122 A C 0.613 178.203 177.584 0.010 0.000 1.162 122 A CA 0.658 52.699 52.037 0.007 0.000 0.753 122 A CB -0.042 18.965 19.000 0.011 0.000 0.840 122 A HN 0.535 nan 8.150 nan 0.000 0.468 123 N N -1.014 117.696 118.700 0.017 0.000 2.607 123 N HA 0.340 5.080 4.740 -0.000 0.000 0.271 123 N C -2.751 172.770 175.510 0.019 0.000 1.142 123 N CA -1.719 51.342 53.050 0.019 0.000 0.810 123 N CB 1.527 40.030 38.487 0.027 0.000 1.306 123 N HN -0.214 nan 8.380 nan 0.000 0.536 124 P HA -0.024 nan 4.420 nan 0.000 0.218 124 P C -0.199 177.108 177.300 0.012 0.000 1.148 124 P CA 1.087 64.193 63.100 0.010 0.000 0.822 124 P CB 0.290 31.993 31.700 0.005 0.000 0.784 125 D N -0.673 119.737 120.400 0.016 0.000 2.413 125 D HA 0.067 4.707 4.640 -0.000 0.000 0.237 125 D C 0.878 177.196 176.300 0.030 0.000 1.171 125 D CA -0.105 53.907 54.000 0.019 0.000 0.839 125 D CB -0.309 40.502 40.800 0.019 0.000 0.950 125 D HN 0.157 nan 8.370 nan 0.000 0.499 134 F N 3.880 123.903 119.950 0.122 0.000 2.415 134 F HA 0.800 5.327 4.527 -0.000 0.000 0.348 134 F C 0.318 176.265 175.800 0.244 0.000 1.119 134 F CA -0.633 57.490 58.000 0.205 0.000 1.069 134 F CB 2.012 41.173 39.000 0.269 0.000 1.124 134 F HN 0.465 nan 8.300 nan 0.000 0.472 135 V N 0.161 120.207 119.914 0.220 0.000 2.914 135 V HA 0.786 4.906 4.120 -0.000 0.000 0.314 135 V C -0.138 175.653 176.094 -0.505 0.000 1.084 135 V CA -1.083 61.226 62.300 0.014 0.000 0.963 135 V CB 1.362 33.191 31.823 0.011 0.000 1.025 135 V HN 0.745 nan 8.190 nan 0.000 0.432 136 S N 0.962 116.255 115.700 -0.679 0.000 2.593 136 S HA 0.394 4.864 4.470 -0.000 0.000 0.269 136 S C -0.319 174.072 174.600 -0.347 0.000 1.334 136 S CA -0.057 57.563 58.200 -0.968 0.000 1.015 136 S CB 0.969 63.786 63.200 -0.638 0.000 0.912 136 S HN 1.096 nan 8.310 nan 0.000 0.541 137 D N 1.870 122.155 120.400 -0.192 0.000 2.461 137 D HA 0.514 5.154 4.640 -0.000 0.000 0.240 137 D C -2.268 174.107 176.300 0.124 0.000 1.094 137 D CA -1.879 52.118 54.000 -0.006 0.000 0.868 137 D CB 1.289 42.106 40.800 0.027 0.000 1.062 137 D HN 0.350 nan 8.370 nan 0.000 0.530 138 P HA 0.402 nan 4.420 nan 0.000 0.301 138 P C -0.584 176.765 177.300 0.081 0.000 1.309 138 P CA -0.464 62.667 63.100 0.052 0.000 0.782 138 P CB 1.974 33.685 31.700 0.018 0.000 1.282 139 T N -2.101 112.502 114.554 0.083 0.000 2.787 139 T HA 0.330 4.680 4.350 -0.000 0.000 0.297 139 T C -1.850 172.963 174.700 0.188 0.000 1.221 139 T CA -0.458 61.752 62.100 0.182 0.000 1.006 139 T CB 0.231 69.301 68.868 0.336 0.000 1.328 139 T HN 0.338 nan 8.240 nan 0.000 0.509 140 W N 5.133 126.448 121.300 0.024 0.000 2.505 140 W HA 0.253 4.913 4.660 -0.000 0.000 0.332 140 W C -1.514 174.911 176.519 -0.157 0.000 1.434 140 W CA -1.817 55.423 57.345 -0.174 0.000 1.320 140 W CB 0.369 29.582 29.460 -0.412 0.000 1.363 140 W HN 0.495 nan 8.180 nan 0.000 0.565 141 P HA -0.328 nan 4.420 nan 0.000 0.218 141 P C 0.801 177.841 177.300 -0.432 0.000 1.150 141 P CA 2.331 65.252 63.100 -0.298 0.000 0.841 141 P CB 0.280 31.814 31.700 -0.277 0.000 0.784 142 N N -0.968 117.181 118.700 -0.919 0.000 2.289 142 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 142 N C 1.738 177.004 175.510 -0.405 0.000 1.016 142 N CA 0.990 53.504 53.050 -0.894 0.000 0.872 142 N CB -1.058 36.359 38.487 -1.783 0.000 0.973 142 N HN 0.474 nan 8.380 nan 0.000 0.433 143 H N -0.554 118.406 119.070 -0.184 0.000 2.290 143 H HA -0.050 4.506 4.556 -0.000 0.000 0.298 143 H C 1.776 177.102 175.328 -0.003 0.000 1.087 143 H CA 1.373 57.441 56.048 0.033 0.000 1.291 143 H CB 0.069 29.909 29.762 0.131 0.000 1.369 143 H HN -0.011 nan 8.280 nan 0.000 0.492 144 V N 0.148 120.126 119.914 0.106 0.000 2.427 144 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 144 V C 2.273 178.379 176.094 0.019 0.000 1.051 144 V CA 1.788 64.116 62.300 0.047 0.000 1.048 144 V CB -0.369 31.463 31.823 0.015 0.000 0.666 144 V HN 0.393 nan 8.190 nan 0.000 0.456 145 S N 0.288 115.968 115.700 -0.034 0.000 2.359 145 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 145 S C 1.919 176.541 174.600 0.037 0.000 1.035 145 S CA 1.775 59.954 58.200 -0.034 0.000 1.018 145 S CB -0.358 62.769 63.200 -0.123 0.000 0.876 145 S HN 0.510 nan 8.310 nan 0.000 0.448 146 I N 1.282 121.874 120.570 0.036 0.000 2.179 146 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 146 I C 2.475 178.699 176.117 0.178 0.000 1.088 146 I CA 1.344 62.714 61.300 0.118 0.000 1.357 146 I CB -0.381 37.685 38.000 0.109 0.000 1.051 146 I HN 0.281 nan 8.210 nan 0.000 0.409 147 M N 0.224 119.896 119.600 0.120 0.000 2.108 147 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 147 M C 1.988 178.332 176.300 0.073 0.000 1.066 147 M CA 1.731 57.086 55.300 0.091 0.000 1.107 147 M CB -0.532 32.108 32.600 0.067 0.000 1.356 147 M HN 0.243 nan 8.290 nan 0.000 0.406 148 N N 0.191 118.937 118.700 0.077 0.000 2.142 148 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 148 N C 1.493 177.054 175.510 0.085 0.000 1.023 148 N CA 1.181 54.267 53.050 0.059 0.000 0.852 148 N CB -0.498 38.020 38.487 0.052 0.000 0.998 148 N HN 0.297 nan 8.380 nan 0.000 0.424 149 F N 1.272 121.217 119.950 -0.009 0.000 2.171 149 F HA -0.004 4.523 4.527 -0.000 0.000 0.300 149 F C 2.047 177.847 175.800 0.001 0.000 1.090 149 F CA 1.190 59.186 58.000 -0.006 0.000 1.293 149 F CB -0.182 38.814 39.000 -0.007 0.000 1.013 149 F HN -0.046 nan 8.300 nan 0.000 0.486 150 M N -0.420 119.137 119.600 -0.072 0.000 2.492 150 M HA 0.141 4.621 4.480 -0.000 0.000 0.262 150 M C 1.604 177.822 176.300 -0.137 0.000 1.090 150 M CA 1.085 56.291 55.300 -0.157 0.000 1.110 150 M CB -0.420 32.184 32.600 0.006 0.000 1.407 150 M HN 0.392 nan 8.290 nan 0.000 0.470 151 G N 1.278 110.023 108.800 -0.092 0.000 2.136 151 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.242 151 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.242 151 G C 0.115 174.993 174.900 -0.037 0.000 0.989 151 G CA -0.215 44.844 45.100 -0.068 0.000 0.682 151 G HN 0.365 nan 8.290 nan 0.000 0.522 155 V N 2.267 122.133 119.914 -0.080 0.000 2.495 155 V HA 0.697 4.817 4.120 -0.000 0.000 0.298 155 V C -0.285 175.699 176.094 -0.183 0.000 1.031 155 V CA -0.365 61.872 62.300 -0.105 0.000 0.871 155 V CB 1.970 33.763 31.823 -0.050 0.000 0.988 155 V HN 0.619 nan 8.190 nan 0.000 0.432 156 Q N 1.824 121.434 119.800 -0.316 0.000 2.377 156 Q HA 0.651 4.991 4.340 -0.000 0.000 0.271 156 Q C -0.696 175.159 176.000 -0.241 0.000 1.077 156 Q CA -0.221 55.316 55.803 -0.444 0.000 0.820 156 Q CB 2.395 30.436 28.738 -1.162 0.000 1.347 156 Q HN 0.818 nan 8.270 nan 0.000 0.444 157 T N 2.818 117.317 114.554 -0.093 0.000 2.888 157 T HA 0.591 4.941 4.350 -0.000 0.000 0.284 157 T C -1.436 173.382 174.700 0.198 0.000 1.017 157 T CA -0.333 61.775 62.100 0.012 0.000 1.022 157 T CB 0.368 69.226 68.868 -0.016 0.000 1.013 157 T HN 0.468 nan 8.240 nan 0.000 0.465 158 Y N -0.159 120.257 120.300 0.193 0.000 2.425 158 Y HA 0.725 5.275 4.550 -0.000 0.000 0.344 158 Y C -0.019 175.982 175.900 0.168 0.000 0.969 158 Y CA -1.644 56.575 58.100 0.198 0.000 1.052 158 Y CB 0.762 39.359 38.460 0.228 0.000 1.215 158 Y HN 0.404 nan 8.280 nan 0.000 0.451 159 R N 2.059 122.737 120.500 0.297 0.000 2.698 159 R HA 0.058 4.398 4.340 -0.000 0.000 0.266 159 R C -0.803 175.695 176.300 0.329 0.000 1.026 159 R CA 0.851 57.079 56.100 0.214 0.000 1.102 159 R CB 0.242 30.619 30.300 0.127 0.000 0.978 159 R HN 0.979 nan 8.270 nan 0.000 0.436 160 Y N 1.532 121.891 120.300 0.098 0.000 3.315 160 Y HA 0.167 4.717 4.550 -0.000 0.000 0.189 160 Y C -0.688 175.260 175.900 0.080 0.000 0.984 160 Y CA -0.398 57.756 58.100 0.089 0.000 1.679 160 Y CB 0.316 38.781 38.460 0.007 0.000 1.450 160 Y HN 0.477 nan 8.280 nan 0.000 0.351 161 F N 3.666 123.650 119.950 0.058 0.000 2.420 161 F HA 0.280 4.807 4.527 -0.000 0.000 0.352 161 F C -0.046 175.717 175.800 -0.061 0.000 1.108 161 F CA -0.767 57.211 58.000 -0.036 0.000 1.162 161 F CB 0.439 39.473 39.000 0.057 0.000 1.118 161 F HN 0.070 nan 8.300 nan 0.000 0.510 162 D N 5.416 125.448 120.400 -0.614 0.000 2.428 162 D HA 0.245 4.884 4.640 -0.000 0.000 0.221 162 D C 0.863 176.696 176.300 -0.777 0.000 1.123 162 D CA 0.155 53.854 54.000 -0.502 0.000 0.869 162 D CB 1.627 42.203 40.800 -0.373 0.000 1.032 162 D HN 0.780 nan 8.370 nan 0.000 0.506 163 A N 4.017 126.562 122.820 -0.459 0.000 1.986 163 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 163 A C 1.887 179.292 177.584 -0.299 0.000 1.171 163 A CA 1.700 53.556 52.037 -0.302 0.000 0.640 163 A CB -0.239 18.730 19.000 -0.051 0.000 0.811 163 A HN 0.722 nan 8.150 nan 0.000 0.451 164 E N -0.756 119.279 120.200 -0.274 0.000 2.060 164 E HA -0.119 4.231 4.350 -0.000 0.000 0.189 164 E C 1.939 178.371 176.600 -0.280 0.000 0.974 164 E CA 1.520 57.787 56.400 -0.221 0.000 0.808 164 E CB -0.035 29.572 29.700 -0.154 0.000 0.768 164 E HN 0.687 nan 8.360 nan 0.000 0.453 165 T N -2.429 111.929 114.554 -0.327 0.000 3.065 165 T HA 0.177 4.527 4.350 -0.000 0.000 0.252 165 T C 0.665 175.090 174.700 -0.457 0.000 1.099 165 T CA 0.184 62.103 62.100 -0.302 0.000 1.063 165 T CB 0.072 68.813 68.868 -0.211 0.000 0.948 165 T HN 0.105 nan 8.240 nan 0.000 0.506 166 R N 0.375 120.457 120.500 -0.696 0.000 3.875 166 R HA -0.093 4.247 4.340 -0.000 0.000 0.321 166 R C 0.599 176.690 176.300 -0.349 0.000 1.196 166 R CA 0.811 56.414 56.100 -0.828 0.000 0.868 166 R CB -2.097 27.502 30.300 -1.168 0.000 1.333 166 R HN 0.758 nan 8.270 nan 0.000 0.522 167 G N -1.781 106.784 108.800 -0.391 0.000 3.075 167 G HA2 0.626 4.586 3.960 -0.000 0.000 0.253 167 G HA3 0.626 4.586 3.960 -0.000 0.000 0.253 167 G C -0.829 173.902 174.900 -0.281 0.000 1.353 167 G CA -0.421 44.577 45.100 -0.171 0.000 1.051 167 G HN 0.046 nan 8.290 nan 0.000 0.553 168 V N 1.006 120.764 119.914 -0.260 0.000 2.432 168 V HA 0.189 4.309 4.120 -0.000 0.000 0.275 168 V C -0.261 175.689 176.094 -0.240 0.000 1.043 168 V CA -0.344 61.721 62.300 -0.392 0.000 0.925 168 V CB 1.436 32.981 31.823 -0.465 0.000 0.985 168 V HN 0.689 nan 8.190 nan 0.000 0.466 169 D N 3.795 124.061 120.400 -0.224 0.000 2.608 169 D HA 0.055 4.695 4.640 -0.000 0.000 0.224 169 D C 0.802 177.092 176.300 -0.016 0.000 1.123 169 D CA -0.221 53.718 54.000 -0.102 0.000 1.030 169 D CB -0.061 40.687 40.800 -0.087 0.000 1.093 169 D HN 0.403 nan 8.370 nan 0.000 0.497 170 F N 2.045 121.894 119.950 -0.169 0.000 2.126 170 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 170 F C 1.921 177.669 175.800 -0.086 0.000 1.096 170 F CA 1.270 59.188 58.000 -0.137 0.000 1.255 170 F CB 0.228 39.148 39.000 -0.134 0.000 0.997 170 F HN 0.272 nan 8.300 nan 0.000 0.479 171 E N -0.043 120.109 120.200 -0.079 0.000 2.085 171 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 171 E C 2.554 179.061 176.600 -0.155 0.000 0.994 171 E CA 1.221 57.530 56.400 -0.152 0.000 0.801 171 E CB -1.200 28.461 29.700 -0.065 0.000 0.743 171 E HN 0.501 nan 8.360 nan 0.000 0.453 172 G N 1.193 109.940 108.800 -0.088 0.000 2.402 172 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 172 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 172 G C 1.649 176.527 174.900 -0.037 0.000 1.162 172 G CA 0.935 46.009 45.100 -0.043 0.000 0.777 172 G HN 0.216 nan 8.290 nan 0.000 0.539 173 M N 0.243 119.814 119.600 -0.047 0.000 2.080 173 M HA -0.071 4.408 4.480 -0.000 0.000 0.260 173 M C 2.541 178.718 176.300 -0.205 0.000 1.068 173 M CA 1.745 57.036 55.300 -0.016 0.000 1.109 173 M CB -0.160 32.457 32.600 0.028 0.000 1.342 173 M HN 0.117 nan 8.290 nan 0.000 0.405 174 K N 0.117 120.279 120.400 -0.397 0.000 2.026 174 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 174 K C 2.063 178.527 176.600 -0.227 0.000 1.048 174 K CA 1.474 57.516 56.287 -0.407 0.000 0.929 174 K CB -0.381 31.785 32.500 -0.555 0.000 0.713 174 K HN 0.474 nan 8.250 nan 0.000 0.439 175 A N 2.074 124.795 122.820 -0.164 0.000 1.908 175 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 175 A C 1.649 179.205 177.584 -0.047 0.000 1.181 175 A CA 2.034 54.018 52.037 -0.090 0.000 0.627 175 A CB -0.417 18.547 19.000 -0.059 0.000 0.818 175 A HN 0.198 nan 8.150 nan 0.000 0.445 176 D N -0.122 120.271 120.400 -0.011 0.000 2.123 176 D HA -0.047 4.593 4.640 -0.000 0.000 0.200 176 D C 1.900 178.210 176.300 0.017 0.000 0.976 176 D CA 0.816 54.862 54.000 0.075 0.000 0.831 176 D CB -0.339 40.575 40.800 0.191 0.000 0.974 176 D HN 0.429 nan 8.370 nan 0.000 0.469 177 L N 0.702 121.848 121.223 -0.128 0.000 2.275 177 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 177 L C 2.335 179.034 176.870 -0.285 0.000 1.119 177 L CA 0.604 55.254 54.840 -0.317 0.000 0.790 177 L CB -0.317 41.514 42.059 -0.379 0.000 0.919 177 L HN -0.031 nan 8.230 nan 0.000 0.443 178 A N 0.106 122.822 122.820 -0.173 0.000 2.070 178 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 178 A C 2.352 179.876 177.584 -0.100 0.000 1.159 178 A CA 1.503 53.463 52.037 -0.129 0.000 0.656 178 A CB -0.437 18.508 19.000 -0.092 0.000 0.800 178 A HN 0.395 nan 8.150 nan 0.000 0.453 179 A N -0.699 122.077 122.820 -0.073 0.000 2.238 179 A HA 0.564 4.884 4.320 -0.000 0.000 0.208 179 A C 1.288 178.866 177.584 -0.010 0.000 1.177 179 A CA 0.633 52.676 52.037 0.009 0.000 0.804 179 A CB -0.742 18.331 19.000 0.121 0.000 0.823 179 A HN 0.915 nan 8.150 nan 0.000 0.482 180 A N 0.760 123.429 122.820 -0.252 0.000 2.462 180 A HA 0.499 4.819 4.320 -0.000 0.000 0.243 180 A C 0.268 177.795 177.584 -0.095 0.000 1.076 180 A CA -0.129 51.710 52.037 -0.330 0.000 0.773 180 A CB 0.296 18.899 19.000 -0.661 0.000 1.010 180 A HN 0.258 nan 8.150 nan 0.000 0.493 181 K N 1.201 121.606 120.400 0.008 0.000 2.211 181 K HA 0.336 4.656 4.320 -0.000 0.000 0.237 181 K C -0.141 176.467 176.600 0.013 0.000 1.002 181 K CA -0.903 55.395 56.287 0.020 0.000 0.885 181 K CB 0.964 33.496 32.500 0.054 0.000 1.136 181 K HN 0.735 nan 8.250 nan 0.000 0.448 182 K N 0.100 120.507 120.400 0.011 0.000 2.451 182 K HA 0.125 4.445 4.320 -0.000 0.000 0.280 182 K C 0.651 177.268 176.600 0.027 0.000 1.020 182 K CA 1.278 57.572 56.287 0.011 0.000 1.008 182 K CB -0.139 32.366 32.500 0.008 0.000 0.917 182 K HN 0.749 nan 8.250 nan 0.000 0.478 183 G N 3.088 111.906 108.800 0.030 0.000 2.232 183 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 183 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 183 G C -0.261 174.677 174.900 0.064 0.000 0.996 183 G CA 0.074 45.199 45.100 0.041 0.000 0.626 183 G HN 0.692 nan 8.290 nan 0.000 0.509 184 D N 0.317 120.766 120.400 0.083 0.000 2.358 184 D HA 0.553 5.193 4.640 -0.000 0.000 0.244 184 D C 0.594 176.970 176.300 0.126 0.000 1.163 184 D CA 0.110 54.196 54.000 0.144 0.000 0.945 184 D CB 1.013 41.954 40.800 0.235 0.000 1.152 184 D HN 0.387 nan 8.370 nan 0.000 0.451 185 M N 0.935 120.643 119.600 0.181 0.000 2.383 185 M HA 0.403 4.883 4.480 -0.000 0.000 0.325 185 M C -1.766 174.663 176.300 0.215 0.000 1.092 185 M CA -0.711 54.679 55.300 0.150 0.000 0.961 185 M CB 1.568 34.242 32.600 0.124 0.000 1.672 185 M HN -0.028 nan 8.290 nan 0.000 0.438 186 V N 6.186 126.189 119.914 0.148 0.000 2.378 186 V HA 0.395 4.515 4.120 -0.000 0.000 0.288 186 V C -0.521 175.685 176.094 0.186 0.000 1.016 186 V CA -0.727 61.679 62.300 0.177 0.000 0.840 186 V CB 1.554 33.383 31.823 0.011 0.000 0.994 186 V HN 0.822 nan 8.190 nan 0.000 0.431 187 L N 6.315 127.687 121.223 0.247 0.000 2.265 187 L HA 0.497 4.837 4.340 -0.000 0.000 0.288 187 L C -1.206 175.832 176.870 0.280 0.000 1.058 187 L CA -0.373 54.568 54.840 0.167 0.000 0.809 187 L CB 0.772 42.838 42.059 0.011 0.000 1.179 187 L HN 0.407 nan 8.230 nan 0.000 0.429 188 L N 4.915 126.295 121.223 0.262 0.000 2.365 188 L HA 0.438 4.778 4.340 -0.000 0.000 0.273 188 L C -0.093 177.013 176.870 0.395 0.000 1.000 188 L CA -0.513 54.559 54.840 0.387 0.000 0.819 188 L CB 1.628 43.950 42.059 0.439 0.000 1.284 188 L HN 0.541 nan 8.230 nan 0.000 0.418 189 H N 1.944 121.202 119.070 0.314 0.000 2.742 189 H HA 0.116 4.672 4.556 -0.000 0.000 0.302 189 H C 0.955 176.541 175.328 0.429 0.000 1.069 189 H CA 0.193 56.425 56.048 0.306 0.000 1.446 189 H CB 1.624 31.559 29.762 0.288 0.000 1.462 189 H HN 0.888 nan 8.280 nan 0.000 0.499 190 G N 2.978 112.030 108.800 0.420 0.000 2.442 190 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 190 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 190 G C 0.584 175.740 174.900 0.426 0.000 1.141 190 G CA 1.134 46.448 45.100 0.357 0.000 0.763 190 G HN 0.774 nan 8.290 nan 0.000 0.554 191 C N -5.180 114.360 119.300 0.400 0.000 3.259 191 C HA 0.481 4.941 4.460 -0.000 0.000 0.344 191 C C 0.441 175.633 174.990 0.336 0.000 1.401 191 C CA -1.037 58.198 59.018 0.361 0.000 1.219 191 C CB 0.564 28.465 27.740 0.269 0.000 1.521 191 C HN 0.829 nan 8.230 nan 0.000 0.455 192 C N 2.166 121.615 119.300 0.249 0.000 3.200 192 C HA -0.133 4.327 4.460 -0.000 0.000 0.263 192 C C 0.661 175.739 174.990 0.146 0.000 1.345 192 C CA 1.189 60.284 59.018 0.129 0.000 2.274 192 C CB -3.269 24.462 27.740 -0.014 0.000 1.459 192 C HN 1.177 nan 8.230 nan 0.000 0.501 193 H N 2.035 121.160 119.070 0.091 0.000 3.157 193 H HA 0.034 4.590 4.556 -0.000 0.000 0.299 193 H C 0.535 175.850 175.328 -0.020 0.000 0.961 193 H CA 1.129 57.160 56.048 -0.028 0.000 1.428 193 H CB 0.459 30.132 29.762 -0.148 0.000 1.459 193 H HN 0.715 nan 8.280 nan 0.000 0.566 194 N N 7.190 125.713 118.700 -0.294 0.000 2.419 194 N HA 0.139 4.879 4.740 -0.000 0.000 0.277 194 N C -1.981 173.316 175.510 -0.354 0.000 1.006 194 N CA -2.286 50.676 53.050 -0.146 0.000 0.923 194 N CB 1.654 40.166 38.487 0.043 0.000 1.140 194 N HN 0.367 nan 8.380 nan 0.000 0.488 195 P HA 0.024 nan 4.420 nan 0.000 0.245 195 P C 0.973 178.212 177.300 -0.101 0.000 1.199 195 P CA 0.593 63.572 63.100 -0.201 0.000 0.807 195 P CB 0.256 31.827 31.700 -0.214 0.000 1.002 196 T N -2.825 111.692 114.554 -0.062 0.000 2.708 196 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 196 T C 1.848 176.467 174.700 -0.134 0.000 1.037 196 T CA 2.001 63.977 62.100 -0.205 0.000 1.146 196 T CB -1.506 67.176 68.868 -0.311 0.000 0.865 196 T HN 0.223 nan 8.240 nan 0.000 0.435 197 G N 1.330 110.109 108.800 -0.034 0.000 2.176 197 G HA2 0.002 3.962 3.960 -0.000 0.000 0.253 197 G HA3 0.002 3.962 3.960 -0.000 0.000 0.253 197 G C 0.228 174.925 174.900 -0.338 0.000 0.979 197 G CA 0.062 45.087 45.100 -0.125 0.000 0.641 197 G HN 1.344 nan 8.290 nan 0.000 0.530 198 A N 0.363 123.017 122.820 -0.276 0.000 2.320 198 A HA 0.697 5.017 4.320 -0.000 0.000 0.287 198 A C 0.201 177.828 177.584 0.071 0.000 1.181 198 A CA -0.270 51.697 52.037 -0.116 0.000 0.831 198 A CB 0.390 19.414 19.000 0.041 0.000 1.102 198 A HN 0.339 nan 8.150 nan 0.000 0.513 199 N N 1.444 120.188 118.700 0.072 0.000 2.328 199 N HA 0.492 5.232 4.740 -0.000 0.000 0.299 199 N C -0.921 174.591 175.510 0.003 0.000 1.179 199 N CA -0.549 52.572 53.050 0.118 0.000 0.793 199 N CB 1.556 40.151 38.487 0.179 0.000 1.366 199 N HN 0.556 nan 8.380 nan 0.000 0.493 200 L N 0.917 122.111 121.223 -0.047 0.000 2.395 200 L HA 0.282 4.622 4.340 -0.000 0.000 0.269 200 L C 1.333 178.146 176.870 -0.095 0.000 1.133 200 L CA -0.467 54.203 54.840 -0.284 0.000 0.812 200 L CB 0.636 42.236 42.059 -0.765 0.000 1.125 200 L HN 0.618 nan 8.230 nan 0.000 0.452 201 T N -1.062 113.406 114.554 -0.143 0.000 2.874 201 T HA 0.176 4.526 4.350 -0.000 0.000 0.281 201 T C 0.918 175.720 174.700 0.170 0.000 0.994 201 T CA -0.804 61.306 62.100 0.017 0.000 1.015 201 T CB 1.284 70.116 68.868 -0.060 0.000 1.028 201 T HN 0.413 nan 8.240 nan 0.000 0.523 202 L N 0.561 121.914 121.223 0.216 0.000 2.079 202 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 202 L C 2.108 179.092 176.870 0.189 0.000 1.081 202 L CA 1.814 56.810 54.840 0.259 0.000 0.752 202 L CB -1.109 41.025 42.059 0.125 0.000 0.896 202 L HN 0.738 nan 8.230 nan 0.000 0.433 203 D N -1.091 119.354 120.400 0.075 0.000 2.117 203 D HA -0.199 4.441 4.640 -0.000 0.000 0.198 203 D C 2.069 178.370 176.300 0.001 0.000 0.982 203 D CA 1.209 55.230 54.000 0.035 0.000 0.828 203 D CB 0.100 40.897 40.800 -0.005 0.000 0.967 203 D HN 0.538 nan 8.370 nan 0.000 0.464 204 Q N -0.619 119.079 119.800 -0.171 0.000 2.119 204 Q HA -0.153 4.187 4.340 -0.000 0.000 0.201 204 Q C 2.156 178.101 176.000 -0.091 0.000 0.972 204 Q CA 0.990 56.513 55.803 -0.468 0.000 0.847 204 Q CB -0.127 27.919 28.738 -1.154 0.000 0.903 204 Q HN 0.419 nan 8.270 nan 0.000 0.433 205 W N 0.677 121.955 121.300 -0.037 0.000 2.335 205 W HA -0.221 4.439 4.660 -0.000 0.000 0.311 205 W C 2.556 179.113 176.519 0.065 0.000 1.213 205 W CA 1.090 58.462 57.345 0.045 0.000 1.274 205 W CB -0.223 29.256 29.460 0.033 0.000 1.148 205 W HN 0.170 nan 8.180 nan 0.000 0.498 206 A N 0.192 123.190 122.820 0.296 0.000 1.908 206 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 206 A C 1.740 179.425 177.584 0.168 0.000 1.181 206 A CA 2.024 54.174 52.037 0.189 0.000 0.627 206 A CB -0.787 18.289 19.000 0.127 0.000 0.818 206 A HN 0.412 nan 8.150 nan 0.000 0.445 207 E N -0.566 119.750 120.200 0.194 0.000 2.106 207 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 207 E C 1.853 178.549 176.600 0.161 0.000 0.984 207 E CA 0.858 57.372 56.400 0.191 0.000 0.806 207 E CB -0.182 29.702 29.700 0.306 0.000 0.750 207 E HN 0.518 nan 8.360 nan 0.000 0.458 208 I N 1.247 121.947 120.570 0.217 0.000 2.286 208 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 208 I C 2.483 178.667 176.117 0.111 0.000 1.115 208 I CA 1.058 62.436 61.300 0.131 0.000 1.392 208 I CB -1.399 36.685 38.000 0.141 0.000 1.065 208 I HN 0.013 nan 8.210 nan 0.000 0.418 209 A N 0.384 123.301 122.820 0.162 0.000 1.908 209 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 209 A C 2.588 180.211 177.584 0.064 0.000 1.181 209 A CA 2.190 54.298 52.037 0.119 0.000 0.627 209 A CB -0.790 18.284 19.000 0.125 0.000 0.818 209 A HN 0.433 nan 8.150 nan 0.000 0.445 210 S N -0.066 115.669 115.700 0.059 0.000 2.359 210 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 210 S C 1.794 176.395 174.600 0.002 0.000 1.035 210 S CA 1.585 59.803 58.200 0.029 0.000 1.018 210 S CB -0.526 62.692 63.200 0.031 0.000 0.876 210 S HN 0.551 nan 8.310 nan 0.000 0.448 211 I N 1.273 121.835 120.570 -0.014 0.000 2.286 211 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 211 I C 2.019 178.101 176.117 -0.057 0.000 1.115 211 I CA 1.019 62.286 61.300 -0.055 0.000 1.392 211 I CB -0.375 37.564 38.000 -0.101 0.000 1.065 211 I HN 0.229 nan 8.210 nan 0.000 0.418 212 L N 0.246 121.449 121.223 -0.034 0.000 2.056 212 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 212 L C 2.507 179.367 176.870 -0.017 0.000 1.078 212 L CA 1.374 56.196 54.840 -0.030 0.000 0.749 212 L CB -0.560 41.501 42.059 0.004 0.000 0.901 212 L HN 0.256 nan 8.230 nan 0.000 0.433 213 E N 0.238 120.436 120.200 -0.003 0.000 2.051 213 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 213 E C 2.120 178.714 176.600 -0.011 0.000 0.991 213 E CA 1.187 57.587 56.400 -0.001 0.000 0.799 213 E CB -0.105 29.599 29.700 0.007 0.000 0.748 213 E HN 0.323 nan 8.360 nan 0.000 0.449 214 K N 0.720 121.110 120.400 -0.017 0.000 2.009 214 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 214 K C 2.354 178.936 176.600 -0.030 0.000 1.049 214 K CA 2.154 58.427 56.287 -0.023 0.000 0.929 214 K CB -0.238 32.245 32.500 -0.030 0.000 0.714 214 K HN 0.236 nan 8.250 nan 0.000 0.440 215 T N -3.256 111.271 114.554 -0.045 0.000 2.942 215 T HA 0.080 4.430 4.350 -0.000 0.000 0.265 215 T C 1.430 176.109 174.700 -0.036 0.000 1.062 215 T CA 1.029 63.097 62.100 -0.053 0.000 1.139 215 T CB -0.277 68.534 68.868 -0.096 0.000 0.883 215 T HN 0.483 nan 8.240 nan 0.000 0.468 216 G N 1.417 110.200 108.800 -0.028 0.000 2.137 216 G HA2 0.022 3.982 3.960 -0.000 0.000 0.237 216 G HA3 0.022 3.982 3.960 -0.000 0.000 0.237 216 G C 0.177 175.070 174.900 -0.011 0.000 1.002 216 G CA -0.017 45.075 45.100 -0.013 0.000 0.702 216 G HN 1.180 nan 8.290 nan 0.000 0.515 217 A N -0.484 122.319 122.820 -0.028 0.000 2.340 217 A HA 0.744 5.063 4.320 -0.000 0.000 0.268 217 A C 0.297 177.882 177.584 0.001 0.000 1.100 217 A CA -0.182 51.841 52.037 -0.024 0.000 0.803 217 A CB 0.941 19.890 19.000 -0.084 0.000 1.043 217 A HN 1.464 nan 8.150 nan 0.000 0.488 218 L N 4.798 126.036 121.223 0.025 0.000 2.281 218 L HA 0.465 4.805 4.340 -0.000 0.000 0.285 218 L C -2.123 174.777 176.870 0.051 0.000 1.074 218 L CA -1.682 53.180 54.840 0.037 0.000 0.817 218 L CB 1.015 43.100 42.059 0.043 0.000 1.168 218 L HN 0.442 nan 8.230 nan 0.000 0.434 219 P HA 0.213 nan 4.420 nan 0.000 0.290 219 P C -1.388 175.960 177.300 0.081 0.000 1.276 219 P CA -0.606 62.541 63.100 0.079 0.000 0.808 219 P CB 1.768 33.524 31.700 0.093 0.000 0.966 220 L N 4.963 126.243 121.223 0.094 0.000 2.345 220 L HA 0.456 4.795 4.340 -0.000 0.000 0.274 220 L C -0.956 175.968 176.870 0.090 0.000 0.999 220 L CA -0.695 54.191 54.840 0.077 0.000 0.849 220 L CB 0.524 42.621 42.059 0.063 0.000 1.220 220 L HN 0.152 nan 8.230 nan 0.000 0.422 221 I N 4.588 125.210 120.570 0.087 0.000 2.325 221 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 221 I C 0.039 176.194 176.117 0.064 0.000 1.019 221 I CA -0.034 61.329 61.300 0.105 0.000 1.302 221 I CB 1.051 39.108 38.000 0.094 0.000 1.401 221 I HN 0.511 nan 8.210 nan 0.000 0.485 222 D N 7.210 127.637 120.400 0.046 0.000 2.441 222 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 222 D C -0.903 175.407 176.300 0.016 0.000 1.156 222 D CA -0.401 53.595 54.000 -0.007 0.000 0.896 222 D CB 0.828 41.569 40.800 -0.098 0.000 1.028 222 D HN 0.234 nan 8.370 nan 0.000 0.509 223 L N 4.124 125.357 121.223 0.016 0.000 2.407 223 L HA 0.466 4.806 4.340 -0.000 0.000 0.261 223 L C 0.763 177.619 176.870 -0.024 0.000 1.108 223 L CA -0.205 54.656 54.840 0.035 0.000 0.995 223 L CB 0.647 42.729 42.059 0.039 0.000 1.349 223 L HN 0.416 nan 8.230 nan 0.000 0.423 224 A N 3.186 125.950 122.820 -0.093 0.000 2.197 224 A HA 0.166 4.486 4.320 -0.000 0.000 0.210 224 A C 0.507 177.807 177.584 -0.474 0.000 1.180 224 A CA 0.394 52.233 52.037 -0.330 0.000 0.846 224 A CB -0.020 18.637 19.000 -0.571 0.000 0.884 224 A HN 0.594 nan 8.150 nan 0.000 0.487 225 Y N 0.178 120.503 120.300 0.042 0.000 2.713 225 Y HA 0.299 4.849 4.550 -0.000 0.000 0.269 225 Y C 0.607 176.653 175.900 0.243 0.000 1.106 225 Y CA -0.707 57.456 58.100 0.105 0.000 1.174 225 Y CB 0.036 38.504 38.460 0.013 0.000 1.186 225 Y HN 0.357 nan 8.280 nan 0.000 0.555 226 Q N 1.053 121.014 119.800 0.268 0.000 2.257 226 Q HA 0.321 4.661 4.340 -0.000 0.000 0.273 226 Q C 1.016 177.116 176.000 0.166 0.000 1.153 226 Q CA 1.326 57.246 55.803 0.196 0.000 0.922 226 Q CB -0.059 28.759 28.738 0.134 0.000 1.242 226 Q HN 0.818 nan 8.270 nan 0.000 0.409 227 G N 3.253 112.111 108.800 0.097 0.000 2.296 227 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.188 227 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.188 227 G C 0.115 174.888 174.900 -0.211 0.000 1.000 227 G CA -0.105 44.920 45.100 -0.125 0.000 0.672 227 G HN 0.629 nan 8.290 nan 0.000 0.483 228 F N 1.800 121.749 119.950 -0.003 0.000 2.746 228 F HA 0.401 4.928 4.527 -0.000 0.000 0.297 228 F C 2.317 178.108 175.800 -0.014 0.000 1.113 228 F CA 0.995 58.986 58.000 -0.015 0.000 1.367 228 F CB 0.349 39.368 39.000 0.032 0.000 1.111 228 F HN 0.319 nan 8.300 nan 0.000 0.590 229 G N -0.249 108.652 108.800 0.168 0.000 2.542 229 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.211 229 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.211 229 G C 0.984 175.920 174.900 0.060 0.000 1.702 229 G CA 0.478 45.648 45.100 0.117 0.000 0.935 229 G HN 0.121 nan 8.290 nan 0.000 0.509 230 D N 0.137 120.564 120.400 0.045 0.000 2.417 230 D HA 0.340 4.980 4.640 -0.000 0.000 0.207 230 D C 1.069 177.355 176.300 -0.024 0.000 1.075 230 D CA 0.978 54.986 54.000 0.014 0.000 0.851 230 D CB 1.785 42.603 40.800 0.030 0.000 0.976 230 D HN 0.534 nan 8.370 nan 0.000 0.505 234 E N 1.207 121.383 120.200 -0.040 0.000 2.072 234 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 234 E C 1.592 178.178 176.600 -0.024 0.000 0.982 234 E CA 1.468 57.851 56.400 -0.028 0.000 0.803 234 E CB 0.143 29.825 29.700 -0.030 0.000 0.755 234 E HN 0.411 nan 8.360 nan 0.000 0.453 235 E N 1.141 121.329 120.200 -0.020 0.000 2.085 235 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 235 E C 1.638 178.244 176.600 0.010 0.000 0.994 235 E CA 1.305 57.702 56.400 -0.005 0.000 0.801 235 E CB -0.133 29.568 29.700 0.001 0.000 0.743 235 E HN 0.182 nan 8.360 nan 0.000 0.453 236 D N -0.494 119.918 120.400 0.021 0.000 2.264 236 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 236 D C 1.291 177.603 176.300 0.020 0.000 0.966 236 D CA 1.146 55.179 54.000 0.054 0.000 0.864 236 D CB -0.039 40.813 40.800 0.086 0.000 0.933 236 D HN 0.216 nan 8.370 nan 0.000 0.499 237 A N 0.196 123.005 122.820 -0.018 0.000 2.308 237 A HA 0.425 4.745 4.320 -0.000 0.000 0.217 237 A C 2.110 179.617 177.584 -0.127 0.000 1.216 237 A CA 0.772 52.774 52.037 -0.059 0.000 0.864 237 A CB -0.011 18.968 19.000 -0.035 0.000 0.902 237 A HN 0.132 nan 8.150 nan 0.000 0.499 238 A N 0.255 123.003 122.820 -0.119 0.000 1.873 238 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 238 A C 2.351 179.745 177.584 -0.315 0.000 1.193 238 A CA 2.074 54.019 52.037 -0.153 0.000 0.629 238 A CB -1.354 17.595 19.000 -0.085 0.000 0.826 238 A HN 0.735 nan 8.150 nan 0.000 0.447 239 G N -1.454 107.010 108.800 -0.560 0.000 2.418 239 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 239 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 239 G C 1.568 175.845 174.900 -1.038 0.000 1.158 239 G CA 1.680 45.972 45.100 -1.345 0.000 0.771 239 G HN 0.452 nan 8.290 nan 0.000 0.545 240 T N 0.618 114.785 114.554 -0.644 0.000 2.746 240 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 240 T C 2.491 177.047 174.700 -0.239 0.000 1.039 240 T CA 1.135 63.012 62.100 -0.372 0.000 1.142 240 T CB -0.136 68.613 68.868 -0.198 0.000 0.866 240 T HN 0.270 nan 8.240 nan 0.000 0.444 241 R N 0.406 120.784 120.500 -0.203 0.000 2.115 241 R HA 0.105 4.445 4.340 -0.000 0.000 0.230 241 R C 2.451 178.684 176.300 -0.112 0.000 1.111 241 R CA 0.757 56.782 56.100 -0.126 0.000 0.976 241 R CB -0.461 29.780 30.300 -0.097 0.000 0.870 241 R HN 0.334 nan 8.270 nan 0.000 0.445 242 L N 0.669 121.801 121.223 -0.152 0.000 2.027 242 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 242 L C 1.992 178.829 176.870 -0.054 0.000 1.074 242 L CA 1.252 56.040 54.840 -0.088 0.000 0.745 242 L CB -0.125 41.885 42.059 -0.082 0.000 0.898 242 L HN 0.100 nan 8.230 nan 0.000 0.433 243 I N 0.650 121.169 120.570 -0.086 0.000 2.208 243 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 243 I C 2.860 178.967 176.117 -0.017 0.000 1.097 243 I CA 1.584 62.874 61.300 -0.017 0.000 1.363 243 I CB -1.802 36.186 38.000 -0.019 0.000 1.051 243 I HN 0.373 nan 8.210 nan 0.000 0.413 244 A N 1.006 123.800 122.820 -0.044 0.000 1.933 244 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 244 A C 2.486 180.059 177.584 -0.018 0.000 1.175 244 A CA 2.360 54.380 52.037 -0.029 0.000 0.628 244 A CB -0.724 18.251 19.000 -0.041 0.000 0.814 244 A HN 0.580 nan 8.150 nan 0.000 0.444 245 S N -0.691 114.996 115.700 -0.021 0.000 2.446 245 S HA -0.006 4.464 4.470 -0.000 0.000 0.225 245 S C 1.794 176.394 174.600 -0.001 0.000 1.016 245 S CA 0.740 58.933 58.200 -0.012 0.000 0.943 245 S CB -0.194 62.998 63.200 -0.015 0.000 0.786 245 S HN 0.647 nan 8.310 nan 0.000 0.508 246 R N 0.072 120.575 120.500 0.005 0.000 2.237 246 R HA 0.360 4.700 4.340 -0.000 0.000 0.195 246 R C -0.257 176.052 176.300 0.016 0.000 0.956 246 R CA 0.197 56.305 56.100 0.014 0.000 1.029 246 R CB 0.179 30.493 30.300 0.025 0.000 0.972 246 R HN 0.354 nan 8.270 nan 0.000 0.493 247 I N 3.084 123.664 120.570 0.016 0.000 2.354 247 I HA 0.173 4.343 4.170 -0.000 0.000 0.292 247 I C -1.421 174.703 176.117 0.012 0.000 0.989 247 I CA -2.738 58.573 61.300 0.018 0.000 1.188 247 I CB 1.362 39.378 38.000 0.027 0.000 1.342 247 I HN -0.174 nan 8.210 nan 0.000 0.457 248 P HA -0.096 nan 4.420 nan 0.000 0.213 248 P C 0.085 177.390 177.300 0.010 0.000 1.170 248 P CA 1.271 64.376 63.100 0.008 0.000 0.893 248 P CB 0.591 32.295 31.700 0.008 0.000 0.784 249 E N -0.171 120.037 120.200 0.013 0.000 2.156 249 E HA 0.473 4.823 4.350 -0.000 0.000 0.279 249 E C -1.006 175.607 176.600 0.021 0.000 0.965 249 E CA -0.669 55.740 56.400 0.016 0.000 0.789 249 E CB 2.022 31.732 29.700 0.017 0.000 1.098 249 E HN -0.137 nan 8.360 nan 0.000 0.397 250 V N 3.902 123.828 119.914 0.020 0.000 2.808 250 V HA 0.301 4.421 4.120 -0.000 0.000 0.308 250 V C -1.173 174.937 176.094 0.026 0.000 1.099 250 V CA -0.881 61.434 62.300 0.026 0.000 0.920 250 V CB 1.922 33.756 31.823 0.018 0.000 1.014 250 V HN 0.480 nan 8.190 nan 0.000 0.425 251 L N 5.163 126.408 121.223 0.036 0.000 2.313 251 L HA 0.654 4.994 4.340 -0.000 0.000 0.283 251 L C -0.493 176.400 176.870 0.038 0.000 1.013 251 L CA -0.127 54.736 54.840 0.037 0.000 0.816 251 L CB 1.470 43.556 42.059 0.045 0.000 1.236 251 L HN 0.486 nan 8.230 nan 0.000 0.419 252 I N 3.036 123.624 120.570 0.030 0.000 2.447 252 I HA 0.582 4.752 4.170 -0.000 0.000 0.287 252 I C -0.250 175.884 176.117 0.029 0.000 1.023 252 I CA -0.646 60.670 61.300 0.026 0.000 1.083 252 I CB 1.999 40.005 38.000 0.009 0.000 1.245 252 I HN 0.660 nan 8.210 nan 0.000 0.434 253 A N 5.591 128.431 122.820 0.034 0.000 2.322 253 A HA 0.840 5.160 4.320 -0.000 0.000 0.327 253 A C -0.035 177.559 177.584 0.017 0.000 1.394 253 A CA -0.392 51.667 52.037 0.037 0.000 0.921 253 A CB 0.523 19.556 19.000 0.056 0.000 1.153 253 A HN 0.759 nan 8.150 nan 0.000 0.523 254 A N 1.832 124.660 122.820 0.013 0.000 2.295 254 A HA 0.822 5.142 4.320 -0.000 0.000 0.318 254 A C 0.326 177.910 177.584 -0.001 0.000 1.134 254 A CA -0.315 51.723 52.037 0.001 0.000 0.827 254 A CB 1.043 20.044 19.000 0.002 0.000 1.136 254 A HN 1.137 nan 8.150 nan 0.000 0.493 255 S N -0.749 114.935 115.700 -0.026 0.000 2.536 255 S HA 0.443 4.913 4.470 -0.000 0.000 0.298 255 S C 0.002 174.613 174.600 0.018 0.000 1.083 255 S CA -0.534 57.643 58.200 -0.039 0.000 0.995 255 S CB 1.142 64.255 63.200 -0.145 0.000 1.058 255 S HN 0.760 nan 8.310 nan 0.000 0.488 256 C N 2.384 121.707 119.300 0.039 0.000 3.183 256 C HA 0.255 4.715 4.460 -0.000 0.000 0.285 256 C C 2.478 177.507 174.990 0.065 0.000 1.313 256 C CA -0.171 58.933 59.018 0.143 0.000 1.711 256 C CB -1.204 26.535 27.740 -0.001 0.000 2.135 256 C HN 0.888 nan 8.230 nan 0.000 0.651 257 S N 2.302 117.954 115.700 -0.080 0.000 2.359 257 S HA -0.234 4.236 4.470 -0.000 0.000 0.222 257 S C 1.845 176.100 174.600 -0.575 0.000 1.038 257 S CA 1.840 59.886 58.200 -0.257 0.000 1.051 257 S CB -0.110 62.989 63.200 -0.169 0.000 0.944 257 S HN 0.656 nan 8.310 nan 0.000 0.433 258 K N 1.892 122.053 120.400 -0.398 0.000 2.044 258 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 258 K C 1.822 178.528 176.600 0.176 0.000 1.045 258 K CA 1.148 57.259 56.287 -0.294 0.000 0.951 258 K CB -0.329 31.982 32.500 -0.316 0.000 0.738 258 K HN 0.402 nan 8.250 nan 0.000 0.443 259 N N 0.248 119.153 118.700 0.342 0.000 2.520 259 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 259 N C 0.813 176.418 175.510 0.159 0.000 1.068 259 N CA 1.202 54.476 53.050 0.373 0.000 0.911 259 N CB -0.188 38.484 38.487 0.309 0.000 0.961 259 N HN 0.169 nan 8.380 nan 0.000 0.446 260 F N -0.695 119.353 119.950 0.162 0.000 2.724 260 F HA 0.397 4.924 4.527 -0.000 0.000 0.306 260 F C 1.612 177.428 175.800 0.027 0.000 1.100 260 F CA 0.173 58.218 58.000 0.076 0.000 1.255 260 F CB 0.366 39.287 39.000 -0.132 0.000 1.072 260 F HN 0.162 nan 8.300 nan 0.000 0.589 261 G N 2.261 111.105 108.800 0.072 0.000 2.221 261 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.265 261 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.265 261 G C 0.439 175.367 174.900 0.047 0.000 1.041 261 G CA 0.550 45.655 45.100 0.007 0.000 0.807 261 G HN 0.596 nan 8.290 nan 0.000 0.502 262 I N -3.636 116.900 120.570 -0.056 0.000 3.266 262 I HA 0.461 4.631 4.170 -0.000 0.000 0.346 262 I C 1.498 177.641 176.117 0.044 0.000 1.458 262 I CA -1.316 60.011 61.300 0.044 0.000 0.997 262 I CB -0.284 37.723 38.000 0.010 0.000 1.733 262 I HN 0.005 nan 8.210 nan 0.000 0.507 263 Y N 2.557 122.912 120.300 0.091 0.000 2.040 263 Y HA -0.306 4.244 4.550 -0.000 0.000 0.275 263 Y C 2.833 178.763 175.900 0.049 0.000 1.171 263 Y CA 2.450 60.592 58.100 0.070 0.000 1.123 263 Y CB -0.629 37.880 38.460 0.081 0.000 0.963 263 Y HN 0.458 nan 8.280 nan 0.000 0.493 264 R N 0.413 121.056 120.500 0.239 0.000 2.280 264 R HA -0.065 4.275 4.340 -0.000 0.000 0.207 264 R C 1.252 177.598 176.300 0.077 0.000 1.043 264 R CA 1.256 57.434 56.100 0.129 0.000 1.006 264 R CB -0.366 29.996 30.300 0.103 0.000 0.885 264 R HN 0.294 nan 8.270 nan 0.000 0.467 265 E N 1.350 121.593 120.200 0.072 0.000 2.285 265 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 265 E C -0.108 176.489 176.600 -0.006 0.000 0.997 265 E CA 0.231 56.653 56.400 0.035 0.000 0.845 265 E CB 0.052 29.773 29.700 0.035 0.000 0.782 265 E HN 0.193 nan 8.360 nan 0.000 0.491 266 R N 0.424 120.924 120.500 0.001 0.000 3.055 266 R HA -0.088 4.252 4.340 -0.000 0.000 0.265 266 R C -0.846 175.421 176.300 -0.056 0.000 0.947 266 R CA 0.440 56.531 56.100 -0.016 0.000 0.652 266 R CB -3.327 26.958 30.300 -0.025 0.000 1.367 266 R HN 0.011 nan 8.270 nan 0.000 0.441 267 T N 0.161 114.679 114.554 -0.060 0.000 2.809 267 T HA 0.698 5.048 4.350 -0.000 0.000 0.296 267 T C 0.710 175.417 174.700 0.012 0.000 1.015 267 T CA 0.091 62.140 62.100 -0.086 0.000 0.954 267 T CB 2.055 70.821 68.868 -0.171 0.000 0.950 267 T HN 0.548 nan 8.240 nan 0.000 0.450 268 G N 0.280 109.120 108.800 0.066 0.000 2.798 268 G HA2 0.655 4.615 3.960 -0.000 0.000 0.286 268 G HA3 0.655 4.615 3.960 -0.000 0.000 0.286 268 G C -1.572 173.441 174.900 0.188 0.000 1.389 268 G CA -0.692 44.472 45.100 0.106 0.000 0.894 268 G HN 0.832 nan 8.290 nan 0.000 0.488 269 C N 0.539 119.913 119.300 0.123 0.000 2.811 269 C HA 0.678 5.138 4.460 -0.000 0.000 0.352 269 C C -1.020 174.006 174.990 0.060 0.000 1.098 269 C CA -0.753 58.328 59.018 0.105 0.000 1.295 269 C CB 0.283 28.020 27.740 -0.006 0.000 1.758 269 C HN 0.771 nan 8.230 nan 0.000 0.488 270 L N 6.751 128.015 121.223 0.069 0.000 2.280 270 L HA 0.619 4.959 4.340 -0.000 0.000 0.287 270 L C -1.110 175.781 176.870 0.035 0.000 1.023 270 L CA -0.466 54.407 54.840 0.054 0.000 0.819 270 L CB 1.172 43.273 42.059 0.070 0.000 1.212 270 L HN 0.717 nan 8.230 nan 0.000 0.420 271 L N 4.924 126.159 121.223 0.020 0.000 2.296 271 L HA 0.563 4.903 4.340 -0.000 0.000 0.286 271 L C 0.064 176.944 176.870 0.016 0.000 1.023 271 L CA -0.408 54.437 54.840 0.009 0.000 0.812 271 L CB 1.789 43.843 42.059 -0.009 0.000 1.223 271 L HN 0.664 nan 8.230 nan 0.000 0.421 272 A N 4.857 127.687 122.820 0.017 0.000 2.277 272 A HA 0.642 4.962 4.320 -0.000 0.000 0.318 272 A C -0.829 176.762 177.584 0.012 0.000 1.339 272 A CA -0.501 51.547 52.037 0.019 0.000 0.875 272 A CB 0.369 19.383 19.000 0.024 0.000 1.158 272 A HN 0.485 nan 8.150 nan 0.000 0.514 273 L N 2.797 124.026 121.223 0.010 0.000 2.278 273 L HA 0.361 4.701 4.340 -0.000 0.000 0.287 273 L C -0.082 176.793 176.870 0.008 0.000 1.072 273 L CA 0.255 55.099 54.840 0.006 0.000 0.819 273 L CB 0.365 42.425 42.059 0.003 0.000 1.176 273 L HN 0.718 nan 8.230 nan 0.000 0.435 274 C N 1.295 120.599 119.300 0.006 0.000 2.470 274 C HA 0.657 5.117 4.460 -0.000 0.000 0.341 274 C C 1.734 176.727 174.990 0.005 0.000 1.190 274 C CA -0.603 58.419 59.018 0.007 0.000 1.904 274 C CB 1.353 29.097 27.740 0.007 0.000 2.354 274 C HN 0.944 nan 8.230 nan 0.000 0.509 275 A N 0.599 123.422 122.820 0.005 0.000 2.015 275 A HA 0.092 4.412 4.320 -0.000 0.000 0.219 275 A C 0.344 177.930 177.584 0.002 0.000 1.163 275 A CA 1.728 53.767 52.037 0.004 0.000 0.646 275 A CB -0.517 18.485 19.000 0.004 0.000 0.806 275 A HN 1.025 nan 8.150 nan 0.000 0.448 276 D N -5.212 115.189 120.400 0.002 0.000 2.623 276 D HA 0.555 5.195 4.640 -0.000 0.000 0.241 276 D C 0.395 176.695 176.300 0.001 0.000 1.241 276 D CA -0.129 53.871 54.000 0.001 0.000 0.788 276 D CB 0.978 41.779 40.800 0.001 0.000 1.413 276 D HN 0.004 nan 8.370 nan 0.000 0.429 277 A N 0.928 123.748 122.820 0.001 0.000 1.948 277 A HA 0.012 4.332 4.320 -0.000 0.000 0.220 277 A C 2.205 179.790 177.584 0.001 0.000 1.177 277 A CA 2.443 54.481 52.037 0.002 0.000 0.636 277 A CB -1.303 17.698 19.000 0.002 0.000 0.815 277 A HN 0.785 nan 8.150 nan 0.000 0.449 278 A N -0.968 121.852 122.820 -0.000 0.000 1.883 278 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 278 A C 2.309 179.892 177.584 -0.003 0.000 1.186 278 A CA 2.366 54.402 52.037 -0.002 0.000 0.624 278 A CB -1.313 17.686 19.000 -0.003 0.000 0.822 278 A HN 0.460 nan 8.150 nan 0.000 0.444 279 T N -0.811 113.742 114.554 -0.001 0.000 2.821 279 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 279 T C 2.043 176.744 174.700 0.001 0.000 1.046 279 T CA 1.181 63.280 62.100 -0.001 0.000 1.139 279 T CB -0.238 68.631 68.868 0.001 0.000 0.871 279 T HN 0.472 nan 8.240 nan 0.000 0.454 280 R N 1.008 121.509 120.500 0.003 0.000 2.081 280 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 280 R C 2.137 178.441 176.300 0.006 0.000 1.131 280 R CA 1.340 57.443 56.100 0.005 0.000 0.960 280 R CB -0.103 30.201 30.300 0.005 0.000 0.856 280 R HN 0.324 nan 8.270 nan 0.000 0.436 281 E N 0.714 120.916 120.200 0.003 0.000 2.110 281 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 281 E C 2.021 178.620 176.600 -0.001 0.000 0.988 281 E CA 0.681 57.083 56.400 0.003 0.000 0.804 281 E CB -0.322 29.378 29.700 0.000 0.000 0.745 281 E HN 0.209 nan 8.360 nan 0.000 0.458 282 L N 0.826 122.046 121.223 -0.005 0.000 2.046 282 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 282 L C 2.269 179.134 176.870 -0.007 0.000 1.077 282 L CA 1.792 56.624 54.840 -0.013 0.000 0.747 282 L CB -0.981 41.070 42.059 -0.015 0.000 0.896 282 L HN 0.073 nan 8.230 nan 0.000 0.432 283 A N -1.498 121.323 122.820 0.003 0.000 1.873 283 A HA -0.243 4.077 4.320 -0.000 0.000 0.215 283 A C 2.241 179.838 177.584 0.021 0.000 1.186 283 A CA 1.518 53.563 52.037 0.012 0.000 0.616 283 A CB -0.577 18.432 19.000 0.015 0.000 0.823 283 A HN 0.442 nan 8.150 nan 0.000 0.442 284 Q N 0.096 119.908 119.800 0.020 0.000 2.096 284 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 284 Q C 1.902 177.922 176.000 0.032 0.000 0.982 284 Q CA 2.257 58.077 55.803 0.028 0.000 0.850 284 Q CB -0.984 27.768 28.738 0.024 0.000 0.901 284 Q HN 0.500 nan 8.270 nan 0.000 0.422 285 G N -0.298 108.516 108.800 0.022 0.000 2.402 285 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.216 285 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.216 285 G C 1.462 176.391 174.900 0.049 0.000 1.162 285 G CA 0.862 45.976 45.100 0.024 0.000 0.777 285 G HN 0.524 nan 8.290 nan 0.000 0.539 286 A N 0.313 123.151 122.820 0.030 0.000 1.969 286 A HA 0.129 4.449 4.320 -0.000 0.000 0.218 286 A C 2.425 180.087 177.584 0.130 0.000 1.169 286 A CA 1.605 53.677 52.037 0.059 0.000 0.635 286 A CB -0.288 18.719 19.000 0.012 0.000 0.810 286 A HN 0.392 nan 8.150 nan 0.000 0.445 287 M N -0.668 118.981 119.600 0.082 0.000 2.156 287 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 287 M C 2.520 178.854 176.300 0.057 0.000 1.067 287 M CA 1.341 56.682 55.300 0.069 0.000 1.131 287 M CB -0.308 32.326 32.600 0.056 0.000 1.368 287 M HN 0.446 nan 8.290 nan 0.000 0.416 288 A N 0.006 122.863 122.820 0.061 0.000 1.902 288 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 288 A C 2.015 179.605 177.584 0.010 0.000 1.181 288 A CA 1.403 53.455 52.037 0.025 0.000 0.623 288 A CB -1.043 17.975 19.000 0.030 0.000 0.818 288 A HN 0.542 nan 8.150 nan 0.000 0.443 289 F N 0.066 119.969 119.950 -0.078 0.000 2.134 289 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 289 F C 1.772 177.504 175.800 -0.113 0.000 1.097 289 F CA 1.496 59.441 58.000 -0.091 0.000 1.264 289 F CB -0.204 38.758 39.000 -0.064 0.000 1.001 289 F HN 0.156 nan 8.300 nan 0.000 0.479 290 L N 0.865 122.060 121.223 -0.046 0.000 2.046 290 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 290 L C 2.121 178.797 176.870 -0.323 0.000 1.077 290 L CA 1.580 56.323 54.840 -0.162 0.000 0.747 290 L CB -1.522 40.528 42.059 -0.015 0.000 0.896 290 L HN 0.142 nan 8.230 nan 0.000 0.432 291 N N -0.588 117.942 118.700 -0.284 0.000 2.142 291 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 291 N C 1.891 177.086 175.510 -0.525 0.000 1.023 291 N CA 0.956 53.744 53.050 -0.437 0.000 0.852 291 N CB -0.062 38.333 38.487 -0.155 0.000 0.998 291 N HN 0.264 nan 8.380 nan 0.000 0.424 292 R N 0.378 120.630 120.500 -0.414 0.000 2.096 292 R HA -0.089 4.251 4.340 -0.000 0.000 0.240 292 R C 1.464 177.511 176.300 -0.422 0.000 1.139 292 R CA 1.113 56.965 56.100 -0.414 0.000 0.952 292 R CB -0.342 29.729 30.300 -0.381 0.000 0.854 292 R HN 0.346 nan 8.270 nan 0.000 0.436 293 Q N -0.270 119.210 119.800 -0.533 0.000 2.472 293 Q HA 0.008 4.348 4.340 -0.000 0.000 0.208 293 Q C 1.327 177.129 176.000 -0.330 0.000 0.958 293 Q CA 1.052 56.586 55.803 -0.448 0.000 0.932 293 Q CB 0.330 28.716 28.738 -0.586 0.000 1.007 293 Q HN 0.373 nan 8.270 nan 0.000 0.508 294 T N -0.796 113.503 114.554 -0.425 0.000 3.056 294 T HA 0.036 4.386 4.350 -0.000 0.000 0.241 294 T C 0.288 174.833 174.700 -0.258 0.000 1.006 294 T CA 0.657 62.523 62.100 -0.391 0.000 1.115 294 T CB 0.203 68.722 68.868 -0.583 0.000 0.939 294 T HN 0.424 nan 8.240 nan 0.000 0.462 295 Y N -1.092 119.170 120.300 -0.062 0.000 3.075 295 Y HA 0.626 5.176 4.550 -0.000 0.000 0.270 295 Y C 0.721 176.605 175.900 -0.028 0.000 1.071 295 Y CA -0.792 57.294 58.100 -0.023 0.000 1.269 295 Y CB -0.603 37.865 38.460 0.013 0.000 1.291 295 Y HN -0.002 nan 8.280 nan 0.000 0.613 296 S N 0.061 115.730 115.700 -0.051 0.000 4.159 296 S HA -0.294 4.176 4.470 -0.000 0.000 0.536 296 S C -0.175 174.288 174.600 -0.227 0.000 1.861 296 S CA 2.048 60.134 58.200 -0.191 0.000 4.246 296 S CB -1.364 61.801 63.200 -0.058 0.000 0.268 296 S HN 0.444 nan 8.310 nan 0.000 0.454 297 F N 4.455 124.519 119.950 0.190 0.000 2.507 297 F HA 0.617 5.144 4.527 -0.000 0.000 0.327 297 F C -2.050 173.885 175.800 0.225 0.000 1.068 297 F CA -1.896 56.220 58.000 0.192 0.000 0.965 297 F CB 1.023 40.111 39.000 0.146 0.000 1.192 297 F HN 0.124 nan 8.300 nan 0.000 0.476 298 P HA 0.314 nan 4.420 nan 0.000 0.282 298 P C -2.738 174.593 177.300 0.052 0.000 1.259 298 P CA -1.794 61.361 63.100 0.092 0.000 0.826 298 P CB 0.445 32.233 31.700 0.146 0.000 1.064 299 P HA 0.068 nan 4.420 nan 0.000 0.266 299 P C 0.078 177.383 177.300 0.008 0.000 1.195 299 P CA 0.158 63.245 63.100 -0.022 0.000 0.768 299 P CB 0.139 31.790 31.700 -0.083 0.000 0.838 300 F N 2.043 121.938 119.950 -0.091 0.000 2.383 300 F HA 0.028 4.555 4.527 -0.000 0.000 0.287 300 F C 2.330 178.045 175.800 -0.141 0.000 1.069 300 F CA 0.820 58.747 58.000 -0.123 0.000 1.402 300 F CB -0.379 38.573 39.000 -0.080 0.000 1.116 300 F HN 0.369 nan 8.300 nan 0.000 0.549 301 H N 0.088 119.120 119.070 -0.064 0.000 2.265 301 H HA -0.127 4.429 4.556 -0.000 0.000 0.293 301 H C 2.447 177.580 175.328 -0.326 0.000 1.089 301 H CA 2.436 58.385 56.048 -0.166 0.000 1.244 301 H CB -0.880 28.855 29.762 -0.045 0.000 1.355 301 H HN 0.360 nan 8.280 nan 0.000 0.485 302 G N -0.456 108.185 108.800 -0.265 0.000 2.418 302 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 302 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 302 G C 1.922 176.496 174.900 -0.543 0.000 1.158 302 G CA 1.074 45.968 45.100 -0.344 0.000 0.771 302 G HN 0.634 nan 8.290 nan 0.000 0.545 303 A N 0.752 123.141 122.820 -0.719 0.000 1.908 303 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 303 A C 2.224 179.309 177.584 -0.831 0.000 1.181 303 A CA 2.423 53.771 52.037 -1.148 0.000 0.627 303 A CB -0.380 17.730 19.000 -1.483 0.000 0.818 303 A HN 0.353 nan 8.150 nan 0.000 0.445 304 K N 0.109 119.971 120.400 -0.897 0.000 2.148 304 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 304 K C 1.553 177.843 176.600 -0.517 0.000 1.050 304 K CA 1.190 57.014 56.287 -0.772 0.000 0.942 304 K CB -0.495 31.326 32.500 -1.132 0.000 0.724 304 K HN 0.541 nan 8.250 nan 0.000 0.446 305 I N -0.399 119.842 120.570 -0.549 0.000 2.202 305 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 305 I C 1.921 177.801 176.117 -0.395 0.000 1.091 305 I CA 0.868 61.913 61.300 -0.424 0.000 1.368 305 I CB -0.186 37.572 38.000 -0.404 0.000 1.058 305 I HN -0.070 nan 8.210 nan 0.000 0.410 306 V N 1.012 120.621 119.914 -0.507 0.000 2.237 306 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 306 V C 2.666 178.555 176.094 -0.342 0.000 1.046 306 V CA 2.376 64.282 62.300 -0.655 0.000 1.007 306 V CB -0.944 30.485 31.823 -0.658 0.000 0.638 306 V HN 0.605 nan 8.190 nan 0.000 0.445 307 S N -0.512 115.096 115.700 -0.153 0.000 2.383 307 S HA -0.250 4.220 4.470 -0.000 0.000 0.229 307 S C 1.896 176.434 174.600 -0.103 0.000 1.030 307 S CA 2.047 60.202 58.200 -0.075 0.000 1.002 307 S CB -0.929 62.272 63.200 0.002 0.000 0.829 307 S HN 0.597 nan 8.310 nan 0.000 0.467 308 T N 2.136 116.604 114.554 -0.143 0.000 2.777 308 T HA 0.004 4.354 4.350 -0.000 0.000 0.266 308 T C 1.908 176.563 174.700 -0.075 0.000 1.040 308 T CA 1.389 63.426 62.100 -0.104 0.000 1.141 308 T CB -0.557 68.235 68.868 -0.127 0.000 0.868 308 T HN 0.298 nan 8.240 nan 0.000 0.444 309 V N 1.248 121.100 119.914 -0.104 0.000 2.358 309 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 309 V C 2.396 178.484 176.094 -0.011 0.000 1.047 309 V CA 1.213 63.483 62.300 -0.049 0.000 1.035 309 V CB -0.527 31.246 31.823 -0.082 0.000 0.658 309 V HN 0.309 nan 8.190 nan 0.000 0.452 310 L N 0.684 121.877 121.223 -0.050 0.000 2.156 310 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 310 L C 2.649 179.526 176.870 0.012 0.000 1.095 310 L CA 2.527 57.366 54.840 -0.002 0.000 0.770 310 L CB -1.210 40.826 42.059 -0.039 0.000 0.914 310 L HN 0.645 nan 8.230 nan 0.000 0.439 311 T N -6.234 108.315 114.554 -0.008 0.000 3.051 311 T HA 0.022 4.372 4.350 -0.000 0.000 0.255 311 T C 0.939 175.645 174.700 0.010 0.000 1.085 311 T CA 0.222 62.322 62.100 0.000 0.000 1.109 311 T CB -0.410 68.453 68.868 -0.009 0.000 0.921 311 T HN 0.126 nan 8.240 nan 0.000 0.488 312 T N 4.048 118.609 114.554 0.012 0.000 2.794 312 T HA 0.316 4.666 4.350 -0.000 0.000 0.304 312 T C -1.857 172.865 174.700 0.037 0.000 0.973 312 T CA -1.165 60.947 62.100 0.020 0.000 0.972 312 T CB 1.355 70.231 68.868 0.014 0.000 0.952 312 T HN 0.055 nan 8.240 nan 0.000 0.509 313 P HA -0.216 nan 4.420 nan 0.000 0.219 313 P C 1.292 178.621 177.300 0.048 0.000 1.161 313 P CA 1.317 64.442 63.100 0.041 0.000 0.909 313 P CB 0.254 31.971 31.700 0.028 0.000 0.793 314 E N -1.196 119.028 120.200 0.040 0.000 2.085 314 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 314 E C 1.887 178.524 176.600 0.061 0.000 0.994 314 E CA 1.102 57.527 56.400 0.043 0.000 0.801 314 E CB -1.061 28.660 29.700 0.035 0.000 0.743 314 E HN 0.131 nan 8.360 nan 0.000 0.453 315 L N 0.383 121.647 121.223 0.069 0.000 2.044 315 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 315 L C 2.394 179.359 176.870 0.157 0.000 1.075 315 L CA 1.546 56.443 54.840 0.096 0.000 0.747 315 L CB -0.781 41.319 42.059 0.070 0.000 0.903 315 L HN 0.037 nan 8.230 nan 0.000 0.435 316 R N -0.293 120.300 120.500 0.154 0.000 2.103 316 R HA -0.236 4.104 4.340 -0.000 0.000 0.242 316 R C 2.140 178.574 176.300 0.224 0.000 1.142 316 R CA 1.624 57.870 56.100 0.244 0.000 0.960 316 R CB -0.201 30.204 30.300 0.174 0.000 0.858 316 R HN 0.369 nan 8.270 nan 0.000 0.439 317 A N 0.679 123.571 122.820 0.120 0.000 1.858 317 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 317 A C 1.850 179.460 177.584 0.043 0.000 1.190 317 A CA 1.946 54.018 52.037 0.059 0.000 0.617 317 A CB -0.794 18.228 19.000 0.037 0.000 0.827 317 A HN 0.542 nan 8.150 nan 0.000 0.443 318 D N -2.032 118.412 120.400 0.074 0.000 2.178 318 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 318 D C 1.590 177.934 176.300 0.072 0.000 0.980 318 D CA 1.456 55.492 54.000 0.059 0.000 0.842 318 D CB -0.218 40.627 40.800 0.075 0.000 0.948 318 D HN 0.628 nan 8.370 nan 0.000 0.472 319 W N 0.771 122.043 121.300 -0.046 0.000 2.379 319 W HA -0.095 4.565 4.660 -0.000 0.000 0.307 319 W C 1.997 178.426 176.519 -0.149 0.000 1.200 319 W CA 1.353 58.644 57.345 -0.091 0.000 1.297 319 W CB -0.484 28.930 29.460 -0.077 0.000 1.140 319 W HN -0.055 nan 8.180 nan 0.000 0.507 320 M N 0.570 119.905 119.600 -0.442 0.000 2.149 320 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 320 M C 2.279 178.304 176.300 -0.458 0.000 1.064 320 M CA 1.983 56.883 55.300 -0.666 0.000 1.102 320 M CB -0.914 31.471 32.600 -0.358 0.000 1.369 320 M HN 0.171 nan 8.290 nan 0.000 0.408 321 A N -0.062 122.597 122.820 -0.268 0.000 1.898 321 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 321 A C 2.007 179.460 177.584 -0.218 0.000 1.181 321 A CA 1.798 53.718 52.037 -0.196 0.000 0.620 321 A CB -0.636 18.300 19.000 -0.107 0.000 0.819 321 A HN 0.542 nan 8.150 nan 0.000 0.442 322 E N -0.437 119.628 120.200 -0.226 0.000 2.107 322 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 322 E C 1.958 178.361 176.600 -0.328 0.000 0.982 322 E CA 0.582 56.860 56.400 -0.203 0.000 0.809 322 E CB -0.138 29.498 29.700 -0.107 0.000 0.756 322 E HN 0.582 nan 8.360 nan 0.000 0.459 323 L N 0.964 121.872 121.223 -0.525 0.000 2.046 323 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 323 L C 2.513 179.066 176.870 -0.529 0.000 1.077 323 L CA 1.194 55.639 54.840 -0.658 0.000 0.747 323 L CB -0.208 41.272 42.059 -0.966 0.000 0.896 323 L HN 0.198 nan 8.230 nan 0.000 0.432 324 E N 0.075 120.015 120.200 -0.433 0.000 2.085 324 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 324 E C 2.109 178.571 176.600 -0.231 0.000 0.994 324 E CA 1.406 57.623 56.400 -0.306 0.000 0.801 324 E CB -0.125 29.427 29.700 -0.246 0.000 0.743 324 E HN 0.527 nan 8.360 nan 0.000 0.453 325 A N 0.417 123.112 122.820 -0.208 0.000 1.902 325 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 325 A C 2.615 180.116 177.584 -0.138 0.000 1.181 325 A CA 1.563 53.516 52.037 -0.139 0.000 0.623 325 A CB -0.631 18.304 19.000 -0.108 0.000 0.818 325 A HN 0.161 nan 8.150 nan 0.000 0.443 326 V N -0.061 119.717 119.914 -0.227 0.000 2.261 326 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 326 V C 2.657 178.638 176.094 -0.188 0.000 1.047 326 V CA 2.276 64.420 62.300 -0.261 0.000 1.015 326 V CB -0.771 30.726 31.823 -0.543 0.000 0.642 326 V HN 0.650 nan 8.190 nan 0.000 0.446 327 R N 0.045 120.386 120.500 -0.264 0.000 2.083 327 R HA -0.172 4.167 4.340 -0.000 0.000 0.237 327 R C 2.510 178.765 176.300 -0.075 0.000 1.137 327 R CA 2.084 58.083 56.100 -0.168 0.000 0.951 327 R CB -0.378 29.790 30.300 -0.220 0.000 0.851 327 R HN 0.521 nan 8.270 nan 0.000 0.434 328 S N -0.371 115.277 115.700 -0.088 0.000 2.368 328 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 328 S C 1.866 176.454 174.600 -0.019 0.000 1.030 328 S CA 1.212 59.382 58.200 -0.050 0.000 0.999 328 S CB -0.430 62.734 63.200 -0.060 0.000 0.844 328 S HN 0.674 nan 8.310 nan 0.000 0.459 329 G N 1.540 110.334 108.800 -0.010 0.000 2.418 329 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 329 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 329 G C 1.386 176.315 174.900 0.048 0.000 1.158 329 G CA 0.797 45.914 45.100 0.027 0.000 0.771 329 G HN 0.401 nan 8.290 nan 0.000 0.545 330 M N -0.459 119.181 119.600 0.068 0.000 2.175 330 M HA 0.056 4.536 4.480 -0.000 0.000 0.264 330 M C 2.456 178.784 176.300 0.046 0.000 1.063 330 M CA 0.780 56.128 55.300 0.080 0.000 1.119 330 M CB -0.327 32.343 32.600 0.117 0.000 1.377 330 M HN 0.245 nan 8.290 nan 0.000 0.415 331 L N 0.609 121.851 121.223 0.031 0.000 2.083 331 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 331 L C 2.375 179.253 176.870 0.013 0.000 1.083 331 L CA 1.877 56.731 54.840 0.023 0.000 0.752 331 L CB -0.469 41.597 42.059 0.011 0.000 0.899 331 L HN 0.153 nan 8.230 nan 0.000 0.433 332 R N -1.664 118.842 120.500 0.009 0.000 2.115 332 R HA -0.077 4.263 4.340 -0.000 0.000 0.226 332 R C 2.028 178.328 176.300 0.001 0.000 1.100 332 R CA 0.856 56.957 56.100 0.002 0.000 0.980 332 R CB -0.326 29.974 30.300 0.000 0.000 0.875 332 R HN 0.234 nan 8.270 nan 0.000 0.445 333 L N 0.892 122.120 121.223 0.009 0.000 2.046 333 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 333 L C 2.238 179.105 176.870 -0.006 0.000 1.077 333 L CA 1.668 56.510 54.840 0.003 0.000 0.747 333 L CB -0.577 41.491 42.059 0.014 0.000 0.896 333 L HN 0.067 nan 8.230 nan 0.000 0.432 334 R N -0.536 119.966 120.500 0.003 0.000 2.073 334 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 334 R C 2.128 178.412 176.300 -0.027 0.000 1.134 334 R CA 1.560 57.656 56.100 -0.006 0.000 0.952 334 R CB -0.305 30.005 30.300 0.017 0.000 0.850 334 R HN 0.480 nan 8.270 nan 0.000 0.433 335 E N 0.525 120.714 120.200 -0.017 0.000 2.085 335 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 335 E C 2.188 178.769 176.600 -0.033 0.000 0.994 335 E CA 1.252 57.638 56.400 -0.024 0.000 0.801 335 E CB -0.030 29.662 29.700 -0.014 0.000 0.743 335 E HN 0.397 nan 8.360 nan 0.000 0.453 336 Q N 0.294 120.076 119.800 -0.029 0.000 2.020 336 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 336 Q C 2.392 178.361 176.000 -0.052 0.000 0.982 336 Q CA 1.099 56.881 55.803 -0.034 0.000 0.838 336 Q CB -0.208 28.514 28.738 -0.027 0.000 0.899 336 Q HN 0.187 nan 8.270 nan 0.000 0.423 337 L N 0.803 121.990 121.223 -0.060 0.000 2.012 337 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 337 L C 2.172 178.973 176.870 -0.114 0.000 1.073 337 L CA 2.248 57.035 54.840 -0.089 0.000 0.748 337 L CB -0.872 41.134 42.059 -0.088 0.000 0.891 337 L HN 0.152 nan 8.230 nan 0.000 0.431 338 A N -0.603 122.155 122.820 -0.104 0.000 1.908 338 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 338 A C 2.341 179.881 177.584 -0.073 0.000 1.181 338 A CA 1.654 53.626 52.037 -0.107 0.000 0.627 338 A CB -1.594 17.347 19.000 -0.099 0.000 0.818 338 A HN 0.555 nan 8.150 nan 0.000 0.445 339 G N -0.563 108.203 108.800 -0.058 0.000 2.404 339 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 339 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 339 G C 1.448 176.318 174.900 -0.048 0.000 1.174 339 G CA 1.277 46.352 45.100 -0.042 0.000 0.780 339 G HN 0.575 nan 8.290 nan 0.000 0.537 340 E N 0.383 120.544 120.200 -0.065 0.000 2.058 340 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 340 E C 2.477 179.020 176.600 -0.096 0.000 0.997 340 E CA 0.842 57.197 56.400 -0.074 0.000 0.801 340 E CB -0.439 29.209 29.700 -0.086 0.000 0.746 340 E HN 0.424 nan 8.360 nan 0.000 0.450 341 L N -0.029 121.113 121.223 -0.136 0.000 2.141 341 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 341 L C 2.790 179.636 176.870 -0.041 0.000 1.094 341 L CA 1.214 55.944 54.840 -0.184 0.000 0.763 341 L CB -0.329 41.532 42.059 -0.330 0.000 0.908 341 L HN 0.152 nan 8.230 nan 0.000 0.437 342 R N 0.148 120.640 120.500 -0.012 0.000 2.066 342 R HA -0.161 4.178 4.340 -0.000 0.000 0.232 342 R C 1.806 178.113 176.300 0.012 0.000 1.131 342 R CA 1.764 57.878 56.100 0.023 0.000 0.955 342 R CB -0.047 30.256 30.300 0.005 0.000 0.851 342 R HN 0.265 nan 8.270 nan 0.000 0.432 343 D N 0.479 120.873 120.400 -0.010 0.000 2.117 343 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 343 D C 1.847 178.143 176.300 -0.007 0.000 0.987 343 D CA 0.844 54.838 54.000 -0.010 0.000 0.829 343 D CB -0.020 40.769 40.800 -0.018 0.000 0.961 343 D HN 0.183 nan 8.370 nan 0.000 0.460 344 L N 0.745 121.955 121.223 -0.021 0.000 2.095 344 L HA -0.060 4.279 4.340 -0.000 0.000 0.204 344 L C 2.417 179.292 176.870 0.010 0.000 1.080 344 L CA 1.305 56.132 54.840 -0.021 0.000 0.759 344 L CB -1.081 40.941 42.059 -0.062 0.000 0.914 344 L HN 0.111 nan 8.230 nan 0.000 0.439 345 S N -0.750 114.974 115.700 0.041 0.000 2.436 345 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 345 S C 1.618 176.262 174.600 0.074 0.000 1.014 345 S CA 0.694 58.957 58.200 0.105 0.000 0.950 345 S CB -0.095 63.252 63.200 0.246 0.000 0.784 345 S HN 0.520 nan 8.310 nan 0.000 0.504 346 G N 0.948 109.778 108.800 0.050 0.000 2.153 346 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.252 346 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.252 346 G C 0.138 175.059 174.900 0.035 0.000 0.994 346 G CA 0.620 45.740 45.100 0.034 0.000 0.698 346 G HN 1.657 nan 8.290 nan 0.000 0.521 347 S N -2.138 113.592 115.700 0.050 0.000 2.705 347 S HA 0.673 5.143 4.470 -0.000 0.000 0.280 347 S C -0.661 173.964 174.600 0.043 0.000 1.174 347 S CA -0.049 58.172 58.200 0.036 0.000 0.823 347 S CB 1.756 64.971 63.200 0.025 0.000 1.162 347 S HN -0.061 nan 8.310 nan 0.000 0.487 348 D N -0.326 120.083 120.400 0.015 0.000 2.559 348 D HA 0.372 5.012 4.640 -0.000 0.000 0.234 348 D C 1.369 177.658 176.300 -0.018 0.000 1.226 348 D CA -0.293 53.713 54.000 0.010 0.000 0.830 348 D CB 0.235 41.035 40.800 0.001 0.000 1.028 348 D HN 0.366 nan 8.370 nan 0.000 0.492 349 R N -0.184 120.278 120.500 -0.064 0.000 2.091 349 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 349 R C 0.739 176.891 176.300 -0.246 0.000 1.136 349 R CA 1.009 56.987 56.100 -0.203 0.000 0.959 349 R CB -0.180 29.871 30.300 -0.416 0.000 0.856 349 R HN 0.240 nan 8.270 nan 0.000 0.437 350 F N -0.077 119.824 119.950 -0.082 0.000 2.769 350 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 350 F C 2.073 177.498 175.800 -0.625 0.000 1.158 350 F CA 0.160 57.896 58.000 -0.441 0.000 1.398 350 F CB -0.229 38.554 39.000 -0.362 0.000 1.094 350 F HN 0.098 nan 8.300 nan 0.000 0.553 351 G N 0.867 109.567 108.800 -0.166 0.000 2.479 351 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.220 351 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.220 351 G C 1.575 176.377 174.900 -0.163 0.000 1.115 351 G CA 0.967 45.991 45.100 -0.127 0.000 0.757 351 G HN 0.524 nan 8.290 nan 0.000 0.560 352 F N 0.927 120.831 119.950 -0.076 0.000 2.250 352 F HA -0.045 4.482 4.527 -0.000 0.000 0.301 352 F C 2.196 177.802 175.800 -0.323 0.000 1.077 352 F CA 0.673 58.566 58.000 -0.179 0.000 1.348 352 F CB -0.952 37.917 39.000 -0.220 0.000 1.040 352 F HN -0.000 nan 8.300 nan 0.000 0.509 353 V N 1.262 120.750 119.914 -0.711 0.000 2.392 353 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 353 V C 2.816 178.834 176.094 -0.126 0.000 1.059 353 V CA 1.889 63.956 62.300 -0.389 0.000 1.051 353 V CB -1.492 30.106 31.823 -0.375 0.000 0.658 353 V HN 0.587 nan 8.190 nan 0.000 0.455 354 A N -0.891 121.863 122.820 -0.110 0.000 2.169 354 A HA -0.036 4.284 4.320 -0.000 0.000 0.212 354 A C 2.083 179.689 177.584 0.036 0.000 1.153 354 A CA 0.853 52.875 52.037 -0.024 0.000 0.756 354 A CB -0.222 18.757 19.000 -0.034 0.000 0.813 354 A HN 0.631 nan 8.150 nan 0.000 0.471 355 E N -0.810 119.428 120.200 0.064 0.000 2.276 355 E HA 0.038 4.388 4.350 -0.000 0.000 0.193 355 E C -0.061 176.691 176.600 0.252 0.000 0.983 355 E CA -0.199 56.283 56.400 0.137 0.000 0.861 355 E CB -0.078 29.709 29.700 0.146 0.000 0.817 355 E HN 0.754 nan 8.360 nan 0.000 0.485 356 H N 0.889 120.052 119.070 0.156 0.000 2.852 356 H HA 0.160 4.716 4.556 -0.000 0.000 0.362 356 H C 0.159 175.560 175.328 0.122 0.000 1.122 356 H CA -0.223 55.927 56.048 0.170 0.000 1.419 356 H CB 0.607 30.503 29.762 0.225 0.000 1.401 356 H HN -0.193 nan 8.280 nan 0.000 0.609 357 R N 1.026 121.652 120.500 0.209 0.000 2.686 357 R HA 0.489 4.829 4.340 -0.000 0.000 0.286 357 R C -0.074 176.274 176.300 0.081 0.000 0.969 357 R CA -0.309 55.872 56.100 0.136 0.000 0.898 357 R CB 1.976 32.353 30.300 0.128 0.000 1.183 357 R HN 1.050 nan 8.270 nan 0.000 0.456 358 G N 0.959 109.783 108.800 0.040 0.000 2.384 358 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.668 358 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.668 358 G C 0.272 175.077 174.900 -0.157 0.000 1.280 358 G CA -0.160 44.877 45.100 -0.104 0.000 0.992 358 G HN 0.567 nan 8.290 nan 0.000 0.512 359 M N -1.315 118.018 119.600 -0.444 0.000 2.495 359 M HA 0.596 5.076 4.480 -0.000 0.000 0.237 359 M C -0.142 175.842 176.300 -0.526 0.000 1.131 359 M CA 0.490 55.513 55.300 -0.461 0.000 1.032 359 M CB 0.099 32.368 32.600 -0.551 0.000 1.513 359 M HN 0.194 nan 8.290 nan 0.000 0.488 360 F N 0.272 120.170 119.950 -0.087 0.000 2.523 360 F HA 0.766 5.293 4.527 -0.000 0.000 0.329 360 F C 0.053 175.884 175.800 0.051 0.000 1.061 360 F CA -1.291 56.690 58.000 -0.030 0.000 0.967 360 F CB 1.956 40.908 39.000 -0.080 0.000 1.218 360 F HN -0.110 nan 8.300 nan 0.000 0.480 361 S N 0.708 116.608 115.700 0.333 0.000 2.543 361 S HA 0.435 4.905 4.470 -0.000 0.000 0.273 361 S C -1.135 173.631 174.600 0.277 0.000 1.152 361 S CA -0.813 57.609 58.200 0.369 0.000 0.910 361 S CB 1.811 65.280 63.200 0.448 0.000 1.105 361 S HN 0.504 nan 8.310 nan 0.000 0.465 362 R N 2.867 123.516 120.500 0.249 0.000 2.229 362 R HA 0.385 4.725 4.340 -0.000 0.000 0.328 362 R C 0.666 177.171 176.300 0.342 0.000 1.009 362 R CA -0.348 55.830 56.100 0.130 0.000 0.864 362 R CB 0.647 30.797 30.300 -0.249 0.000 1.085 362 R HN 0.613 nan 8.270 nan 0.000 0.453 363 L N 1.703 123.109 121.223 0.306 0.000 2.291 363 L HA 0.046 4.386 4.340 -0.000 0.000 0.214 363 L C 1.342 178.405 176.870 0.323 0.000 1.120 363 L CA 1.077 56.158 54.840 0.402 0.000 0.799 363 L CB -0.013 42.225 42.059 0.299 0.000 0.925 363 L HN 1.053 nan 8.230 nan 0.000 0.446 364 G N -0.151 108.796 108.800 0.246 0.000 2.132 364 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.234 364 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.234 364 G C 0.255 175.244 174.900 0.149 0.000 0.989 364 G CA -0.047 45.171 45.100 0.197 0.000 0.676 364 G HN 0.505 nan 8.290 nan 0.000 0.522 365 A N 0.322 123.231 122.820 0.147 0.000 2.316 365 A HA 0.838 5.158 4.320 -0.000 0.000 0.284 365 A C 0.982 178.616 177.584 0.084 0.000 1.115 365 A CA 0.849 52.954 52.037 0.113 0.000 0.812 365 A CB 0.447 19.512 19.000 0.107 0.000 1.064 365 A HN 1.722 nan 8.150 nan 0.000 0.489 366 T N -0.169 114.425 114.554 0.067 0.000 2.816 366 T HA 0.387 4.737 4.350 -0.000 0.000 0.282 366 T C -1.968 172.758 174.700 0.042 0.000 0.993 366 T CA -1.225 60.906 62.100 0.052 0.000 0.994 366 T CB 0.551 69.445 68.868 0.043 0.000 1.025 366 T HN 0.301 nan 8.240 nan 0.000 0.529 367 P HA -0.071 nan 4.420 nan 0.000 0.216 367 P C 1.455 178.769 177.300 0.023 0.000 1.150 367 P CA 1.114 64.228 63.100 0.025 0.000 0.837 367 P CB 0.073 31.785 31.700 0.020 0.000 0.786 368 E N -0.508 119.707 120.200 0.026 0.000 2.051 368 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 368 E C 2.160 178.779 176.600 0.031 0.000 0.991 368 E CA 1.110 57.525 56.400 0.025 0.000 0.799 368 E CB -0.345 29.371 29.700 0.027 0.000 0.748 368 E HN 0.403 nan 8.360 nan 0.000 0.449 369 Q N 0.124 119.948 119.800 0.040 0.000 2.124 369 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 369 Q C 2.336 178.361 176.000 0.042 0.000 0.977 369 Q CA 1.133 56.965 55.803 0.049 0.000 0.850 369 Q CB 0.058 28.832 28.738 0.059 0.000 0.901 369 Q HN 0.146 nan 8.270 nan 0.000 0.429 370 V N 1.266 121.199 119.914 0.032 0.000 2.343 370 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 370 V C 2.258 178.349 176.094 -0.005 0.000 1.051 370 V CA 2.041 64.351 62.300 0.017 0.000 1.036 370 V CB -0.460 31.373 31.823 0.017 0.000 0.654 370 V HN 0.316 nan 8.190 nan 0.000 0.451 371 K N 0.231 120.629 120.400 -0.003 0.000 2.057 371 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 371 K C 2.366 178.961 176.600 -0.009 0.000 1.050 371 K CA 1.522 57.796 56.287 -0.020 0.000 0.935 371 K CB -0.177 32.319 32.500 -0.007 0.000 0.715 371 K HN 0.275 nan 8.250 nan 0.000 0.439 372 R N 0.509 121.023 120.500 0.023 0.000 2.115 372 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 372 R C 2.115 178.479 176.300 0.108 0.000 1.111 372 R CA 1.247 57.379 56.100 0.053 0.000 0.976 372 R CB -0.137 30.203 30.300 0.067 0.000 0.870 372 R HN 0.268 nan 8.270 nan 0.000 0.445 373 I N 0.656 121.287 120.570 0.102 0.000 2.252 373 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 373 I C 2.543 178.743 176.117 0.140 0.000 1.102 373 I CA 1.244 62.645 61.300 0.167 0.000 1.385 373 I CB -0.266 37.765 38.000 0.051 0.000 1.064 373 I HN 0.224 nan 8.210 nan 0.000 0.414 374 K N 1.359 121.746 120.400 -0.023 0.000 2.002 374 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 374 K C 1.949 178.495 176.600 -0.091 0.000 1.048 374 K CA 1.704 57.883 56.287 -0.179 0.000 0.930 374 K CB -0.043 32.205 32.500 -0.420 0.000 0.714 374 K HN 0.282 nan 8.250 nan 0.000 0.438 375 E N 0.257 120.423 120.200 -0.056 0.000 2.085 375 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 375 E C 1.921 178.488 176.600 -0.054 0.000 0.994 375 E CA 1.687 58.064 56.400 -0.039 0.000 0.801 375 E CB 0.067 29.750 29.700 -0.028 0.000 0.743 375 E HN 0.454 nan 8.360 nan 0.000 0.453 376 E N -0.829 119.334 120.200 -0.062 0.000 2.250 376 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 376 E C 1.030 177.330 176.600 -0.499 0.000 0.986 376 E CA 0.490 56.724 56.400 -0.277 0.000 0.849 376 E CB 0.252 29.745 29.700 -0.346 0.000 0.797 376 E HN 0.218 nan 8.360 nan 0.000 0.482 377 F N -0.754 119.194 119.950 -0.003 0.000 2.706 377 F HA 0.318 4.845 4.527 -0.000 0.000 0.313 377 F C 1.351 177.175 175.800 0.040 0.000 1.096 377 F CA 0.152 58.160 58.000 0.013 0.000 1.219 377 F CB 1.344 40.348 39.000 0.007 0.000 1.051 377 F HN 0.006 nan 8.300 nan 0.000 0.568 378 G N 1.896 110.795 108.800 0.166 0.000 2.179 378 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 378 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 378 G C 0.085 175.176 174.900 0.319 0.000 1.010 378 G CA 0.106 45.333 45.100 0.212 0.000 0.736 378 G HN 0.353 nan 8.290 nan 0.000 0.513 379 I N 0.297 120.996 120.570 0.214 0.000 2.321 379 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 379 I C -0.002 176.192 176.117 0.130 0.000 0.998 379 I CA -1.121 60.315 61.300 0.227 0.000 1.227 379 I CB 0.798 38.877 38.000 0.131 0.000 1.368 379 I HN -0.016 nan 8.210 nan 0.000 0.466 380 Y N 7.101 127.477 120.300 0.126 0.000 2.334 380 Y HA 0.676 5.226 4.550 -0.000 0.000 0.328 380 Y C 0.387 176.296 175.900 0.016 0.000 1.130 380 Y CA -0.738 57.412 58.100 0.083 0.000 1.163 380 Y CB 1.543 40.063 38.460 0.099 0.000 1.207 380 Y HN 0.497 nan 8.280 nan 0.000 0.471 381 M N -0.514 119.159 119.600 0.121 0.000 2.773 381 M HA 0.653 5.132 4.480 -0.000 0.000 0.270 381 M C -1.824 174.510 176.300 0.056 0.000 1.238 381 M CA -1.205 54.140 55.300 0.075 0.000 0.832 381 M CB 1.239 33.873 32.600 0.058 0.000 1.672 381 M HN 0.132 nan 8.290 nan 0.000 0.480 382 V N 1.964 121.898 119.914 0.034 0.000 2.872 382 V HA 0.176 4.296 4.120 -0.000 0.000 0.307 382 V C 1.623 177.723 176.094 0.011 0.000 1.072 382 V CA 1.078 63.384 62.300 0.010 0.000 1.148 382 V CB 0.896 32.701 31.823 -0.029 0.000 0.954 382 V HN 1.102 nan 8.190 nan 0.000 0.490 383 G N 2.613 111.417 108.800 0.007 0.000 2.499 383 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.221 383 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.221 383 G C 0.874 175.779 174.900 0.007 0.000 1.109 383 G CA 0.890 45.995 45.100 0.008 0.000 0.749 383 G HN 0.966 nan 8.290 nan 0.000 0.568 384 D N -0.491 119.907 120.400 -0.004 0.000 2.325 384 D HA 0.022 4.662 4.640 -0.000 0.000 0.225 384 D C 1.315 177.621 176.300 0.011 0.000 1.096 384 D CA 0.860 54.857 54.000 -0.004 0.000 0.844 384 D CB -0.517 40.263 40.800 -0.034 0.000 0.925 384 D HN 0.535 nan 8.370 nan 0.000 0.513 385 S N -1.324 114.392 115.700 0.026 0.000 3.450 385 S HA -0.284 4.186 4.470 -0.000 0.000 0.288 385 S C 0.257 174.895 174.600 0.063 0.000 1.256 385 S CA 0.296 58.530 58.200 0.056 0.000 0.910 385 S CB -2.547 60.706 63.200 0.088 0.000 1.090 385 S HN 0.659 nan 8.310 nan 0.000 0.630 386 R N 1.456 121.972 120.500 0.026 0.000 2.340 386 R HA 0.683 5.023 4.340 -0.000 0.000 0.300 386 R C 0.529 176.880 176.300 0.085 0.000 1.069 386 R CA -0.086 56.033 56.100 0.032 0.000 0.984 386 R CB 0.294 30.552 30.300 -0.070 0.000 1.003 386 R HN 0.722 nan 8.270 nan 0.000 0.459 387 I N 0.581 121.245 120.570 0.157 0.000 2.846 387 I HA 0.459 4.629 4.170 -0.000 0.000 0.307 387 I C -0.894 175.382 176.117 0.265 0.000 1.053 387 I CA -1.200 60.200 61.300 0.167 0.000 1.050 387 I CB 2.131 40.205 38.000 0.123 0.000 1.239 387 I HN 0.414 nan 8.210 nan 0.000 0.439 388 N N 4.248 123.072 118.700 0.206 0.000 2.437 388 N HA 0.307 5.047 4.740 -0.000 0.000 0.259 388 N C 0.656 176.187 175.510 0.035 0.000 0.983 388 N CA -0.524 52.610 53.050 0.139 0.000 0.937 388 N CB 1.379 39.941 38.487 0.125 0.000 1.122 388 N HN 0.705 nan 8.380 nan 0.000 0.499 389 I N 2.610 123.182 120.570 0.003 0.000 2.264 389 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 389 I C 2.118 178.233 176.117 -0.003 0.000 1.111 389 I CA 0.932 62.238 61.300 0.010 0.000 1.382 389 I CB -1.496 36.516 38.000 0.021 0.000 1.060 389 I HN 0.597 nan 8.210 nan 0.000 0.418 390 A N 0.793 123.601 122.820 -0.020 0.000 2.019 390 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 390 A C 2.336 179.857 177.584 -0.105 0.000 1.164 390 A CA 1.599 53.607 52.037 -0.048 0.000 0.644 390 A CB -1.159 17.791 19.000 -0.082 0.000 0.805 390 A HN 0.453 nan 8.150 nan 0.000 0.449 391 G N -1.415 107.340 108.800 -0.076 0.000 2.848 391 G HA2 0.342 4.302 3.960 -0.000 0.000 0.208 391 G HA3 0.342 4.302 3.960 -0.000 0.000 0.208 391 G C 0.353 175.224 174.900 -0.047 0.000 1.152 391 G CA 0.035 45.090 45.100 -0.075 0.000 0.789 391 G HN 0.294 nan 8.290 nan 0.000 0.531 392 L N 0.554 121.756 121.223 -0.034 0.000 2.400 392 L HA 0.602 4.942 4.340 -0.000 0.000 0.264 392 L C 0.085 176.940 176.870 -0.025 0.000 1.061 392 L CA -0.640 54.187 54.840 -0.022 0.000 0.799 392 L CB 1.631 43.681 42.059 -0.014 0.000 1.240 392 L HN 0.503 nan 8.230 nan 0.000 0.461 393 N N -2.664 116.024 118.700 -0.020 0.000 3.356 393 N HA 0.125 4.865 4.740 -0.000 0.000 0.246 393 N C -0.195 175.306 175.510 -0.015 0.000 1.480 393 N CA -0.587 52.453 53.050 -0.018 0.000 0.877 393 N CB 0.001 38.475 38.487 -0.022 0.000 1.431 393 N HN 0.295 nan 8.380 nan 0.000 0.500 394 D N -0.777 119.615 120.400 -0.013 0.000 2.172 394 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 394 D C 0.695 176.989 176.300 -0.010 0.000 0.999 394 D CA 1.775 55.768 54.000 -0.012 0.000 0.856 394 D CB -0.181 40.614 40.800 -0.009 0.000 0.934 394 D HN 0.583 nan 8.370 nan 0.000 0.453 395 N N -1.762 116.934 118.700 -0.007 0.000 2.368 395 N HA -0.033 4.706 4.740 -0.000 0.000 0.176 395 N C 1.480 176.991 175.510 0.002 0.000 1.021 395 N CA 1.163 54.212 53.050 -0.001 0.000 0.888 395 N CB 0.309 38.798 38.487 0.002 0.000 0.995 395 N HN 0.183 nan 8.380 nan 0.000 0.437 396 T N -1.371 113.183 114.554 -0.001 0.000 3.051 396 T HA 0.195 4.545 4.350 -0.000 0.000 0.255 396 T C 1.807 176.499 174.700 -0.014 0.000 1.085 396 T CA 0.073 62.175 62.100 0.003 0.000 1.109 396 T CB -0.177 68.697 68.868 0.009 0.000 0.921 396 T HN 0.049 nan 8.240 nan 0.000 0.488 397 I N 2.179 122.734 120.570 -0.025 0.000 2.163 397 I HA -0.063 4.106 4.170 -0.000 0.000 0.243 397 I C -0.611 175.471 176.117 -0.060 0.000 1.085 397 I CA 1.216 62.489 61.300 -0.045 0.000 1.347 397 I CB -0.940 37.034 38.000 -0.043 0.000 1.044 397 I HN 0.202 nan 8.210 nan 0.000 0.408 398 P HA -0.153 nan 4.420 nan 0.000 0.216 398 P C 1.750 179.016 177.300 -0.057 0.000 1.150 398 P CA 1.537 64.608 63.100 -0.048 0.000 0.837 398 P CB -0.020 31.666 31.700 -0.025 0.000 0.786 399 I N -1.435 119.114 120.570 -0.036 0.000 2.202 399 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 399 I C 2.441 178.487 176.117 -0.118 0.000 1.091 399 I CA 1.178 62.461 61.300 -0.027 0.000 1.368 399 I CB -0.750 37.270 38.000 0.033 0.000 1.058 399 I HN -0.065 nan 8.210 nan 0.000 0.410 400 L N 0.961 122.118 121.223 -0.110 0.000 2.046 400 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 400 L C 2.811 179.541 176.870 -0.233 0.000 1.077 400 L CA 1.826 56.573 54.840 -0.156 0.000 0.747 400 L CB -0.421 41.580 42.059 -0.096 0.000 0.896 400 L HN 0.275 nan 8.230 nan 0.000 0.432 401 A N 0.123 122.817 122.820 -0.211 0.000 1.865 401 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 401 A C 2.415 179.831 177.584 -0.280 0.000 1.191 401 A CA 1.912 53.793 52.037 -0.260 0.000 0.623 401 A CB -0.756 18.124 19.000 -0.200 0.000 0.826 401 A HN 0.466 nan 8.150 nan 0.000 0.444 402 R N -0.324 120.036 120.500 -0.232 0.000 2.091 402 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 402 R C 2.294 178.344 176.300 -0.416 0.000 1.136 402 R CA 1.577 57.543 56.100 -0.222 0.000 0.959 402 R CB -0.470 29.763 30.300 -0.113 0.000 0.856 402 R HN 0.452 nan 8.270 nan 0.000 0.437 403 A N 1.330 123.726 122.820 -0.707 0.000 1.883 403 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 403 A C 2.204 179.453 177.584 -0.559 0.000 1.186 403 A CA 1.581 52.894 52.037 -1.206 0.000 0.624 403 A CB -0.551 17.796 19.000 -1.089 0.000 0.822 403 A HN 0.371 nan 8.150 nan 0.000 0.444 404 I N -0.910 119.437 120.570 -0.371 0.000 2.163 404 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 404 I C 2.300 178.326 176.117 -0.151 0.000 1.085 404 I CA 1.392 62.551 61.300 -0.234 0.000 1.347 404 I CB -0.366 37.433 38.000 -0.336 0.000 1.044 404 I HN 0.250 nan 8.210 nan 0.000 0.408 405 I N 0.694 121.152 120.570 -0.188 0.000 2.179 405 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 405 I C 2.509 178.618 176.117 -0.013 0.000 1.088 405 I CA 1.530 62.792 61.300 -0.064 0.000 1.357 405 I CB -0.476 37.479 38.000 -0.074 0.000 1.051 405 I HN 0.136 nan 8.210 nan 0.000 0.409 406 E N 0.092 120.265 120.200 -0.044 0.000 2.118 406 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 406 E C 1.975 178.630 176.600 0.092 0.000 0.992 406 E CA 1.034 57.469 56.400 0.058 0.000 0.804 406 E CB -0.077 29.728 29.700 0.176 0.000 0.741 406 E HN 0.294 nan 8.360 nan 0.000 0.458 407 V N -0.466 119.483 119.914 0.059 0.000 3.573 407 V HA 0.149 4.269 4.120 -0.000 0.000 0.270 407 V C 1.130 177.268 176.094 0.074 0.000 1.221 407 V CA 0.621 62.972 62.300 0.085 0.000 1.163 407 V CB -0.612 31.259 31.823 0.079 0.000 0.847 407 V HN 0.459 nan 8.190 nan 0.000 0.468 408 G N 0.746 109.591 108.800 0.074 0.000 2.298 408 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.287 408 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.287 408 G C -0.046 174.919 174.900 0.109 0.000 1.075 408 G CA 0.305 45.457 45.100 0.087 0.000 0.960 408 G HN 0.358 nan 8.290 nan 0.000 0.502 409 V N 0.000 120.008 119.914 0.157 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.428 62.300 0.214 0.000 1.235 409 V CB 0.000 31.973 31.823 0.249 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556