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 2x5d_1_A DATA FIRST_RESID 20 DATA SEQUENCE VFNITAELKM AARRRGEDII DLSMGNPDGP TPPHIVEKLC TVAXXXXXXX DATA SEQUENCE XXTSRGIPRL RRAISHWYRD RYDVQIDPES EAIVTIGSKE GLAHLMLATL DATA SEQUENCE DHGDTILVPN PSYPIHIYGA VIAGAQVRSV PLVPGIDFFN ELERAIRESI DATA SEQUENCE PKPRMMILGF PSNPTAQCVE LDFFERVVAL AKQYDVMVVH DLAYADIVYD DATA SEQUENCE GWKAPSIMQV PGAKDIAVEF FTLSXSYNMA GWRIGFMVGN PELVSALARI DATA SEQUENCE KSYHDYGTFT PLQVAAIAAL EGDQQCVRDI ARQYQQRRDV LVKGLREAGW DATA SEQUENCE MVENPKASMY VWAKIPEPYA HLGSLEFAKK LLQDAKVSVS PGIGFGDYGD DATA SEQUENCE DHVRFALIEN RDRLRQAVRG IKAMFRADGL 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 20 V HA 0.000 nan 4.120 nan 0.000 0.244 20 V C 0.000 175.902 176.094 -0.320 0.000 1.182 20 V CA 0.000 62.123 62.300 -0.295 0.000 1.235 20 V CB 0.000 31.585 31.823 -0.397 0.000 1.184 21 F N 2.064 121.957 119.950 -0.094 0.000 2.802 21 F HA 0.253 4.815 4.527 0.058 0.000 0.300 21 F C 2.141 177.902 175.800 -0.065 0.000 1.168 21 F CA 1.050 58.998 58.000 -0.087 0.000 1.433 21 F CB -0.210 38.721 39.000 -0.115 0.000 1.115 21 F HN 0.250 nan 8.300 nan 0.000 0.582 22 N N 0.885 119.619 118.700 0.055 0.000 2.188 22 N HA -0.111 4.664 4.740 0.058 0.000 0.184 22 N C 1.987 177.505 175.510 0.014 0.000 1.018 22 N CA 1.150 54.214 53.050 0.024 0.000 0.858 22 N CB -0.271 38.211 38.487 -0.008 0.000 0.989 22 N HN 0.293 nan 8.380 nan 0.000 0.426 23 I N 0.550 121.118 120.570 -0.005 0.000 2.163 23 I HA -0.279 3.927 4.170 0.058 0.000 0.243 23 I C 2.541 178.665 176.117 0.012 0.000 1.085 23 I CA 1.559 62.854 61.300 -0.008 0.000 1.347 23 I CB -0.616 37.367 38.000 -0.028 0.000 1.044 23 I HN 0.245 nan 8.210 nan 0.000 0.408 24 T N -0.199 114.379 114.554 0.041 0.000 2.821 24 T HA -0.066 4.319 4.350 0.058 0.000 0.267 24 T C 1.907 176.634 174.700 0.044 0.000 1.046 24 T CA 1.183 63.316 62.100 0.056 0.000 1.139 24 T CB -0.155 68.786 68.868 0.122 0.000 0.871 24 T HN 0.345 nan 8.240 nan 0.000 0.454 25 A N 1.235 124.086 122.820 0.052 0.000 1.968 25 A HA 0.040 4.395 4.320 0.058 0.000 0.217 25 A C 2.410 180.002 177.584 0.014 0.000 1.169 25 A CA 1.184 53.239 52.037 0.030 0.000 0.638 25 A CB -0.396 18.622 19.000 0.029 0.000 0.812 25 A HN 0.523 nan 8.150 nan 0.000 0.446 26 E N 0.306 120.512 120.200 0.010 0.000 2.072 26 E HA -0.094 4.291 4.350 0.058 0.000 0.190 26 E C 2.067 178.667 176.600 -0.001 0.000 0.982 26 E CA 0.797 57.198 56.400 0.002 0.000 0.803 26 E CB -0.453 29.245 29.700 -0.002 0.000 0.755 26 E HN 0.664 nan 8.360 nan 0.000 0.453 27 L N 0.961 122.183 121.223 -0.001 0.000 2.046 27 L HA -0.190 4.185 4.340 0.058 0.000 0.208 27 L C 2.730 179.596 176.870 -0.006 0.000 1.077 27 L CA 1.396 56.232 54.840 -0.006 0.000 0.747 27 L CB -0.481 41.571 42.059 -0.010 0.000 0.896 27 L HN 0.107 nan 8.230 nan 0.000 0.432 28 K N -0.122 120.277 120.400 -0.003 0.000 2.032 28 K HA -0.225 4.130 4.320 0.058 0.000 0.209 28 K C 2.241 178.840 176.600 -0.002 0.000 1.048 28 K CA 1.496 57.781 56.287 -0.003 0.000 0.927 28 K CB 0.015 32.516 32.500 0.002 0.000 0.712 28 K HN 0.094 nan 8.250 nan 0.000 0.441 29 M N 0.603 120.202 119.600 -0.000 0.000 2.159 29 M HA -0.067 4.448 4.480 0.058 0.000 0.263 29 M C 2.344 178.643 176.300 -0.003 0.000 1.063 29 M CA 1.541 56.841 55.300 -0.001 0.000 1.110 29 M CB -1.219 31.380 32.600 -0.001 0.000 1.374 29 M HN 0.330 nan 8.290 nan 0.000 0.411 30 A N 0.246 123.063 122.820 -0.004 0.000 1.877 30 A HA -0.035 4.320 4.320 0.058 0.000 0.216 30 A C 2.459 180.040 177.584 -0.005 0.000 1.186 30 A CA 2.304 54.338 52.037 -0.005 0.000 0.620 30 A CB -1.027 17.969 19.000 -0.006 0.000 0.822 30 A HN 0.460 nan 8.150 nan 0.000 0.443 31 A N -0.333 122.484 122.820 -0.006 0.000 1.883 31 A HA -0.196 4.159 4.320 0.058 0.000 0.217 31 A C 2.256 179.838 177.584 -0.004 0.000 1.186 31 A CA 1.712 53.745 52.037 -0.006 0.000 0.624 31 A CB -0.509 18.486 19.000 -0.009 0.000 0.822 31 A HN 0.547 nan 8.150 nan 0.000 0.444 32 R N -0.864 119.634 120.500 -0.003 0.000 2.081 32 R HA -0.102 4.273 4.340 0.058 0.000 0.235 32 R C 2.434 178.733 176.300 -0.002 0.000 1.131 32 R CA 1.627 57.726 56.100 -0.001 0.000 0.960 32 R CB -0.267 30.033 30.300 -0.000 0.000 0.856 32 R HN 0.499 nan 8.270 nan 0.000 0.436 33 R N 0.148 120.647 120.500 -0.002 0.000 2.120 33 R HA -0.066 4.309 4.340 0.058 0.000 0.234 33 R C 1.763 178.062 176.300 -0.002 0.000 1.123 33 R CA 1.115 57.214 56.100 -0.002 0.000 0.975 33 R CB -0.092 30.207 30.300 -0.003 0.000 0.866 33 R HN 0.140 nan 8.270 nan 0.000 0.446 34 R N -0.004 120.494 120.500 -0.003 0.000 2.325 34 R HA 0.071 4.446 4.340 0.058 0.000 0.214 34 R C 0.778 177.077 176.300 -0.002 0.000 0.961 34 R CA 0.544 56.642 56.100 -0.002 0.000 1.086 34 R CB 0.314 30.612 30.300 -0.003 0.000 1.037 34 R HN 0.403 nan 8.270 nan 0.000 0.493 35 G N 1.348 110.147 108.800 -0.002 0.000 2.166 35 G HA2 -0.274 3.721 3.960 0.058 0.000 0.260 35 G HA3 -0.274 3.721 3.960 0.058 0.000 0.260 35 G C -0.083 174.816 174.900 -0.001 0.000 0.986 35 G CA 0.034 45.134 45.100 -0.001 0.000 0.683 35 G HN 0.287 nan 8.290 nan 0.000 0.527 36 E N 0.807 121.006 120.200 -0.002 0.000 2.384 36 E HA 0.214 4.599 4.350 0.058 0.000 0.266 36 E C -0.025 176.574 176.600 -0.001 0.000 1.012 36 E CA -0.199 56.200 56.400 -0.002 0.000 0.901 36 E CB 0.793 30.490 29.700 -0.005 0.000 0.967 36 E HN 0.298 nan 8.360 nan 0.000 0.435 37 D N 3.219 123.619 120.400 -0.001 0.000 2.422 37 D HA 0.100 4.775 4.640 0.058 0.000 0.227 37 D C -0.591 175.710 176.300 0.001 0.000 1.190 37 D CA -0.383 53.617 54.000 0.001 0.000 0.905 37 D CB -0.053 40.748 40.800 0.001 0.000 1.034 37 D HN 0.157 nan 8.370 nan 0.000 0.507 38 I N 4.803 125.374 120.570 0.002 0.000 2.353 38 I HA 0.265 4.470 4.170 0.058 0.000 0.293 38 I C 0.635 176.758 176.117 0.011 0.000 0.992 38 I CA -0.788 60.514 61.300 0.003 0.000 1.268 38 I CB 1.311 39.312 38.000 0.001 0.000 1.387 38 I HN 0.287 nan 8.210 nan 0.000 0.478 39 I N 5.185 125.764 120.570 0.016 0.000 2.301 39 I HA 0.102 4.307 4.170 0.058 0.000 0.292 39 I C 0.170 176.308 176.117 0.035 0.000 1.046 39 I CA -0.223 61.093 61.300 0.028 0.000 1.282 39 I CB 0.621 38.642 38.000 0.035 0.000 1.409 39 I HN 0.420 nan 8.210 nan 0.000 0.484 40 D N 8.094 128.516 120.400 0.036 0.000 2.396 40 D HA 0.298 4.973 4.640 0.058 0.000 0.225 40 D C -0.031 176.303 176.300 0.057 0.000 1.121 40 D CA -0.096 53.926 54.000 0.036 0.000 0.853 40 D CB 0.907 41.724 40.800 0.028 0.000 1.043 40 D HN 0.434 nan 8.370 nan 0.000 0.500 41 L N 2.995 124.257 121.223 0.066 0.000 3.218 41 L HA 0.144 4.519 4.340 0.058 0.000 0.279 41 L C 1.462 178.378 176.870 0.077 0.000 1.287 41 L CA -0.237 54.667 54.840 0.106 0.000 1.024 41 L CB 0.227 42.406 42.059 0.200 0.000 1.409 41 L HN 0.256 nan 8.230 nan 0.000 0.580 42 S N -0.936 114.790 115.700 0.043 0.000 2.500 42 S HA 0.146 4.651 4.470 0.058 0.000 0.174 42 S C 0.762 175.373 174.600 0.018 0.000 0.857 42 S CA -0.218 57.992 58.200 0.017 0.000 0.905 42 S CB -0.027 63.172 63.200 -0.003 0.000 0.819 42 S HN 0.239 nan 8.310 nan 0.000 0.557 43 M N 2.772 122.368 119.600 -0.007 0.000 2.269 43 M HA 0.261 4.776 4.480 0.058 0.000 0.350 43 M C 0.650 176.994 176.300 0.072 0.000 1.429 43 M CA 0.116 55.410 55.300 -0.009 0.000 1.063 43 M CB 0.542 33.130 32.600 -0.021 0.000 1.841 43 M HN 0.645 nan 8.290 nan 0.000 0.455 44 G N 4.761 113.643 108.800 0.137 0.000 3.325 44 G HA2 -0.018 3.977 3.960 0.058 0.000 0.242 44 G HA3 -0.018 3.977 3.960 0.058 0.000 0.242 44 G C -0.131 174.850 174.900 0.135 0.000 1.120 44 G CA -0.408 44.823 45.100 0.219 0.000 1.778 44 G HN 0.710 nan 8.290 nan 0.000 0.610 45 N N 2.001 120.759 118.700 0.096 0.000 2.401 45 N HA 0.227 5.002 4.740 0.058 0.000 0.255 45 N C -2.535 173.031 175.510 0.093 0.000 1.110 45 N CA -1.205 51.894 53.050 0.081 0.000 0.949 45 N CB 1.369 39.893 38.487 0.061 0.000 1.110 45 N HN 0.092 nan 8.380 nan 0.000 0.490 46 P HA 0.009 nan 4.420 nan 0.000 0.264 46 P C 0.560 177.923 177.300 0.105 0.000 1.193 46 P CA -0.042 63.144 63.100 0.143 0.000 0.763 46 P CB 0.698 32.478 31.700 0.134 0.000 0.810 47 D N 1.824 122.282 120.400 0.097 0.000 2.327 47 D HA 0.012 4.687 4.640 0.058 0.000 0.205 47 D C 0.921 177.240 176.300 0.033 0.000 0.989 47 D CA 0.242 54.277 54.000 0.058 0.000 0.873 47 D CB -0.332 40.497 40.800 0.049 0.000 0.955 47 D HN 0.386 nan 8.370 nan 0.000 0.515 48 G N 1.759 110.566 108.800 0.011 0.000 2.572 48 G HA2 0.427 4.422 3.960 0.058 0.000 0.261 48 G HA3 0.427 4.422 3.960 0.058 0.000 0.261 48 G C -2.354 172.551 174.900 0.009 0.000 1.197 48 G CA -0.892 44.199 45.100 -0.015 0.000 0.870 48 G HN 0.041 nan 8.290 nan 0.000 0.548 49 P HA 0.219 nan 4.420 nan 0.000 0.277 49 P C -0.017 177.290 177.300 0.011 0.000 1.240 49 P CA -0.224 62.893 63.100 0.029 0.000 0.798 49 P CB 0.802 32.518 31.700 0.027 0.000 0.979 50 T N 3.102 117.669 114.554 0.022 0.000 2.919 50 T HA 0.224 4.609 4.350 0.058 0.000 0.302 50 T C -2.122 172.553 174.700 -0.041 0.000 1.031 50 T CA -0.832 61.232 62.100 -0.059 0.000 1.127 50 T CB -0.710 68.100 68.868 -0.096 0.000 0.952 50 T HN 0.339 nan 8.240 nan 0.000 0.540 51 P HA 0.125 nan 4.420 nan 0.000 0.264 51 P C -1.805 175.450 177.300 -0.076 0.000 1.193 51 P CA -1.240 61.833 63.100 -0.044 0.000 0.763 51 P CB 0.124 31.793 31.700 -0.052 0.000 0.810 52 P HA -0.281 nan 4.420 nan 0.000 0.217 52 P C 1.474 178.798 177.300 0.041 0.000 1.158 52 P CA 1.728 64.859 63.100 0.052 0.000 0.887 52 P CB -0.511 31.241 31.700 0.086 0.000 0.792 53 H N -0.905 118.187 119.070 0.036 0.000 2.387 53 H HA -0.073 4.518 4.556 0.058 0.000 0.299 53 H C 1.940 177.286 175.328 0.031 0.000 1.090 53 H CA 1.192 57.260 56.048 0.033 0.000 1.332 53 H CB -1.317 28.462 29.762 0.028 0.000 1.386 53 H HN 0.157 nan 8.280 nan 0.000 0.516 54 I N 1.030 121.253 120.570 -0.578 0.000 2.113 54 I HA -0.249 3.956 4.170 0.058 0.000 0.238 54 I C 2.835 178.921 176.117 -0.053 0.000 1.070 54 I CA 1.228 62.323 61.300 -0.342 0.000 1.332 54 I CB -0.280 37.422 38.000 -0.496 0.000 1.044 54 I HN 0.057 nan 8.210 nan 0.000 0.402 55 V N 0.594 120.517 119.914 0.014 0.000 2.392 55 V HA -0.313 3.842 4.120 0.058 0.000 0.249 55 V C 2.357 178.533 176.094 0.136 0.000 1.059 55 V CA 1.919 64.339 62.300 0.201 0.000 1.051 55 V CB -0.747 31.183 31.823 0.177 0.000 0.658 55 V HN 0.439 nan 8.190 nan 0.000 0.455 56 E N -0.267 119.983 120.200 0.084 0.000 2.058 56 E HA -0.231 4.154 4.350 0.058 0.000 0.194 56 E C 2.304 178.949 176.600 0.076 0.000 0.997 56 E CA 1.073 57.519 56.400 0.076 0.000 0.801 56 E CB -0.136 29.610 29.700 0.077 0.000 0.746 56 E HN 0.409 nan 8.360 nan 0.000 0.450 57 K N 0.651 121.100 120.400 0.080 0.000 2.281 57 K HA -0.144 4.211 4.320 0.058 0.000 0.203 57 K C 2.132 178.783 176.600 0.085 0.000 1.046 57 K CA 0.520 56.853 56.287 0.078 0.000 0.938 57 K CB -0.288 32.257 32.500 0.075 0.000 0.737 57 K HN 0.246 nan 8.250 nan 0.000 0.458 58 L N 0.230 121.518 121.223 0.107 0.000 2.056 58 L HA -0.221 4.154 4.340 0.058 0.000 0.207 58 L C 2.154 179.052 176.870 0.046 0.000 1.078 58 L CA 1.274 56.164 54.840 0.084 0.000 0.749 58 L CB -0.122 41.989 42.059 0.085 0.000 0.901 58 L HN 0.141 nan 8.230 nan 0.000 0.433 59 C N -0.966 118.361 119.300 0.046 0.000 2.500 59 C HA -0.082 4.413 4.460 0.058 0.000 0.279 59 C C 2.620 177.628 174.990 0.029 0.000 1.288 59 C CA 1.163 60.200 59.018 0.031 0.000 1.710 59 C CB -0.932 26.828 27.740 0.032 0.000 2.052 59 C HN 0.538 nan 8.230 nan 0.000 0.488 60 T N 0.418 114.993 114.554 0.036 0.000 3.035 60 T HA -0.010 4.376 4.350 0.058 0.000 0.268 60 T C 0.782 175.499 174.700 0.030 0.000 1.109 60 T CA 0.903 63.022 62.100 0.032 0.000 1.119 60 T CB -0.099 68.790 68.868 0.036 0.000 0.900 60 T HN 0.311 nan 8.240 nan 0.000 0.503 61 V N 1.592 121.527 119.914 0.034 0.000 2.294 61 V HA 0.804 4.959 4.120 0.058 0.000 0.258 61 V C 0.051 176.161 176.094 0.026 0.000 1.080 61 V CA -0.463 61.856 62.300 0.031 0.000 1.128 61 V CB -0.547 31.300 31.823 0.040 0.000 1.323 61 V HN 0.504 nan 8.190 nan 0.000 0.498 73 S N -0.734 114.967 115.700 0.001 0.000 2.603 73 S HA 0.097 4.602 4.470 0.058 0.000 0.229 73 S C 1.439 176.058 174.600 0.032 0.000 0.972 73 S CA 0.142 58.354 58.200 0.020 0.000 0.935 73 S CB -0.546 62.652 63.200 -0.004 0.000 0.769 73 S HN 0.673 nan 8.310 nan 0.000 0.536 74 R N 0.787 121.299 120.500 0.020 0.000 2.237 74 R HA 0.396 4.771 4.340 0.058 0.000 0.195 74 R C 0.970 177.285 176.300 0.025 0.000 0.956 74 R CA 0.520 56.632 56.100 0.019 0.000 1.029 74 R CB 0.335 30.636 30.300 0.001 0.000 0.972 74 R HN 0.538 nan 8.270 nan 0.000 0.493 75 G N 0.813 109.632 108.800 0.030 0.000 2.459 75 G HA2 -0.123 3.872 3.960 0.058 0.000 0.685 75 G HA3 -0.123 3.872 3.960 0.058 0.000 0.685 75 G C -0.678 174.234 174.900 0.020 0.000 1.303 75 G CA -1.114 44.008 45.100 0.037 0.000 0.907 75 G HN 0.051 nan 8.290 nan 0.000 0.632 76 I N 2.051 122.637 120.570 0.026 0.000 2.741 76 I HA 0.065 4.270 4.170 0.058 0.000 0.288 76 I C -0.663 175.454 176.117 -0.001 0.000 1.192 76 I CA -1.094 60.215 61.300 0.016 0.000 1.426 76 I CB 1.096 39.111 38.000 0.024 0.000 1.367 76 I HN 0.369 nan 8.210 nan 0.000 0.563 77 P HA -0.216 nan 4.420 nan 0.000 0.216 77 P C 1.589 178.874 177.300 -0.023 0.000 1.153 77 P CA 1.318 64.407 63.100 -0.018 0.000 0.858 77 P CB 0.000 31.694 31.700 -0.011 0.000 0.789 78 R N -0.588 119.908 120.500 -0.007 0.000 2.117 78 R HA -0.179 4.196 4.340 0.058 0.000 0.243 78 R C 2.105 178.398 176.300 -0.013 0.000 1.143 78 R CA 1.325 57.426 56.100 0.002 0.000 0.968 78 R CB -1.012 29.299 30.300 0.018 0.000 0.863 78 R HN 0.078 nan 8.270 nan 0.000 0.444 79 L N 1.104 122.314 121.223 -0.021 0.000 2.005 79 L HA -0.111 4.264 4.340 0.058 0.000 0.207 79 L C 2.180 178.979 176.870 -0.118 0.000 1.072 79 L CA 1.777 56.588 54.840 -0.048 0.000 0.744 79 L CB -0.543 41.504 42.059 -0.021 0.000 0.895 79 L HN 0.091 nan 8.230 nan 0.000 0.433 80 R N -0.806 119.626 120.500 -0.113 0.000 2.117 80 R HA -0.173 4.202 4.340 0.058 0.000 0.243 80 R C 2.340 178.533 176.300 -0.178 0.000 1.143 80 R CA 1.708 57.713 56.100 -0.157 0.000 0.968 80 R CB -0.333 29.905 30.300 -0.103 0.000 0.863 80 R HN 0.424 nan 8.270 nan 0.000 0.444 81 R N -0.104 120.305 120.500 -0.152 0.000 2.081 81 R HA -0.073 4.302 4.340 0.058 0.000 0.235 81 R C 2.318 178.437 176.300 -0.301 0.000 1.131 81 R CA 1.319 57.273 56.100 -0.243 0.000 0.960 81 R CB -0.314 29.904 30.300 -0.137 0.000 0.856 81 R HN 0.213 nan 8.270 nan 0.000 0.436 82 A N 1.355 124.115 122.820 -0.100 0.000 1.898 82 A HA -0.130 4.225 4.320 0.058 0.000 0.216 82 A C 2.149 179.719 177.584 -0.024 0.000 1.181 82 A CA 1.083 53.134 52.037 0.023 0.000 0.620 82 A CB -0.447 18.567 19.000 0.022 0.000 0.819 82 A HN 0.159 nan 8.150 nan 0.000 0.442 83 I N -0.881 119.550 120.570 -0.231 0.000 2.127 83 I HA -0.275 3.930 4.170 0.058 0.000 0.241 83 I C 2.853 178.983 176.117 0.021 0.000 1.075 83 I CA 1.653 62.729 61.300 -0.375 0.000 1.334 83 I CB -0.433 37.132 38.000 -0.725 0.000 1.040 83 I HN 0.364 nan 8.210 nan 0.000 0.405 84 S N -0.195 115.454 115.700 -0.085 0.000 2.359 84 S HA -0.256 4.249 4.470 0.058 0.000 0.223 84 S C 2.103 176.757 174.600 0.090 0.000 1.039 84 S CA 1.567 59.746 58.200 -0.034 0.000 1.042 84 S CB -0.411 62.668 63.200 -0.202 0.000 0.915 84 S HN 0.409 nan 8.310 nan 0.000 0.439 85 H N -1.505 117.644 119.070 0.132 0.000 2.387 85 H HA -0.126 4.471 4.556 0.068 0.000 0.299 85 H C 1.785 177.215 175.328 0.169 0.000 1.099 85 H CA 1.442 57.564 56.048 0.123 0.000 1.315 85 H CB -0.787 29.029 29.762 0.089 0.000 1.380 85 H HN 0.660 nan 8.280 nan 0.000 0.513 86 W N 1.012 122.386 121.300 0.124 0.000 2.355 86 W HA -0.233 4.475 4.660 0.080 0.000 0.309 86 W C 2.027 178.542 176.519 -0.006 0.000 1.206 86 W CA 1.391 58.756 57.345 0.034 0.000 1.284 86 W CB -0.768 28.706 29.460 0.024 0.000 1.145 86 W HN 0.048 nan 8.180 nan 0.000 0.502 87 Y N 0.075 120.602 120.300 0.378 0.000 2.274 87 Y HA -0.213 4.369 4.550 0.052 0.000 0.290 87 Y C 2.806 178.768 175.900 0.103 0.000 1.145 87 Y CA 2.230 60.485 58.100 0.258 0.000 1.203 87 Y CB -0.584 38.052 38.460 0.293 0.000 0.984 87 Y HN -0.061 nan 8.280 nan 0.000 0.533 88 R N 0.132 120.764 120.500 0.219 0.000 2.062 88 R HA -0.126 4.249 4.340 0.058 0.000 0.226 88 R C 1.439 177.750 176.300 0.017 0.000 1.125 88 R CA 1.805 57.981 56.100 0.127 0.000 0.966 88 R CB -0.129 30.258 30.300 0.144 0.000 0.861 88 R HN 0.239 nan 8.270 nan 0.000 0.433 89 D N -0.171 120.209 120.400 -0.033 0.000 2.117 89 D HA -0.111 4.564 4.640 0.058 0.000 0.198 89 D C 2.021 178.150 176.300 -0.284 0.000 0.982 89 D CA 1.304 55.227 54.000 -0.129 0.000 0.828 89 D CB 0.021 40.752 40.800 -0.115 0.000 0.967 89 D HN 0.187 nan 8.370 nan 0.000 0.464 90 R N -1.227 118.963 120.500 -0.518 0.000 2.080 90 R HA 0.050 4.425 4.340 0.058 0.000 0.222 90 R C 1.276 177.054 176.300 -0.870 0.000 1.107 90 R CA 0.830 56.384 56.100 -0.909 0.000 0.980 90 R CB 0.026 29.342 30.300 -1.639 0.000 0.879 90 R HN 0.318 nan 8.270 nan 0.000 0.439 91 Y N -1.307 118.872 120.300 -0.200 0.000 2.471 91 Y HA 0.185 4.767 4.550 0.054 0.000 0.249 91 Y C -0.048 175.838 175.900 -0.023 0.000 1.116 91 Y CA -0.547 57.496 58.100 -0.096 0.000 1.240 91 Y CB 0.887 39.317 38.460 -0.050 0.000 1.251 91 Y HN -0.065 nan 8.280 nan 0.000 0.527 92 D N 0.986 121.435 120.400 0.082 0.000 2.800 92 D HA -0.150 4.526 4.640 0.058 0.000 0.232 92 D C -0.978 175.390 176.300 0.113 0.000 1.137 92 D CA 0.362 54.406 54.000 0.074 0.000 0.718 92 D CB -1.044 39.781 40.800 0.042 0.000 1.084 92 D HN 0.040 nan 8.370 nan 0.000 0.432 93 V N 1.312 121.334 119.914 0.181 0.000 2.472 93 V HA 0.367 4.522 4.120 0.058 0.000 0.290 93 V C 0.500 176.665 176.094 0.119 0.000 1.037 93 V CA -0.675 61.720 62.300 0.159 0.000 0.908 93 V CB 1.924 33.887 31.823 0.234 0.000 0.985 93 V HN 0.011 nan 8.190 nan 0.000 0.454 94 Q N 4.399 124.230 119.800 0.053 0.000 2.303 94 Q HA 0.518 4.893 4.340 0.058 0.000 0.257 94 Q C -0.928 175.059 176.000 -0.022 0.000 0.941 94 Q CA -0.318 55.500 55.803 0.025 0.000 0.931 94 Q CB 1.739 30.486 28.738 0.014 0.000 1.215 94 Q HN 0.437 nan 8.270 nan 0.000 0.437 95 I N 2.400 122.949 120.570 -0.035 0.000 2.439 95 I HA 0.105 4.310 4.170 0.058 0.000 0.283 95 I C -0.151 175.923 176.117 -0.073 0.000 1.023 95 I CA -1.028 60.216 61.300 -0.095 0.000 1.100 95 I CB 1.654 39.553 38.000 -0.167 0.000 1.238 95 I HN 0.512 nan 8.210 nan 0.000 0.445 96 D N 9.817 130.177 120.400 -0.066 0.000 2.434 96 D HA 0.087 4.762 4.640 0.058 0.000 0.252 96 D C -1.349 174.906 176.300 -0.075 0.000 1.185 96 D CA -0.918 53.046 54.000 -0.060 0.000 0.886 96 D CB 1.263 42.035 40.800 -0.047 0.000 1.148 96 D HN 0.271 nan 8.370 nan 0.000 0.483 97 P HA -0.098 nan 4.420 nan 0.000 0.229 97 P C 0.892 178.151 177.300 -0.068 0.000 1.160 97 P CA 0.620 63.664 63.100 -0.094 0.000 0.777 97 P CB 0.415 32.047 31.700 -0.113 0.000 0.814 98 E N 1.035 121.203 120.200 -0.053 0.000 2.112 98 E HA -0.087 4.298 4.350 0.058 0.000 0.190 98 E C 1.804 178.382 176.600 -0.037 0.000 0.979 98 E CA 1.701 58.078 56.400 -0.039 0.000 0.814 98 E CB -0.139 29.543 29.700 -0.031 0.000 0.762 98 E HN 0.250 nan 8.360 nan 0.000 0.460 99 S N -1.928 113.748 115.700 -0.041 0.000 2.628 99 S HA 0.219 4.724 4.470 0.058 0.000 0.246 99 S C 1.024 175.598 174.600 -0.045 0.000 1.062 99 S CA -0.414 57.764 58.200 -0.036 0.000 1.028 99 S CB 0.189 63.371 63.200 -0.030 0.000 0.985 99 S HN 0.154 nan 8.310 nan 0.000 0.551 100 E N 1.081 121.245 120.200 -0.061 0.000 2.583 100 E HA 0.540 4.925 4.350 0.058 0.000 0.213 100 E C -0.055 176.489 176.600 -0.093 0.000 0.989 100 E CA -0.019 56.333 56.400 -0.079 0.000 0.991 100 E CB 1.394 31.039 29.700 -0.092 0.000 1.040 100 E HN 0.571 nan 8.360 nan 0.000 0.481 101 A N 1.580 124.353 122.820 -0.078 0.000 2.393 101 A HA 0.748 5.104 4.320 0.058 0.000 0.306 101 A C -1.183 176.377 177.584 -0.040 0.000 1.050 101 A CA -0.591 51.401 52.037 -0.075 0.000 0.724 101 A CB 1.238 20.166 19.000 -0.119 0.000 1.248 101 A HN 0.212 nan 8.150 nan 0.000 0.424 102 I N 2.127 122.697 120.570 -0.000 0.000 2.656 102 I HA 0.506 4.711 4.170 0.058 0.000 0.292 102 I C -1.316 174.862 176.117 0.101 0.000 1.144 102 I CA -0.864 60.456 61.300 0.034 0.000 1.038 102 I CB 2.040 40.060 38.000 0.033 0.000 1.244 102 I HN 0.407 nan 8.210 nan 0.000 0.420 103 V N 6.172 126.145 119.914 0.097 0.000 2.508 103 V HA 0.249 4.404 4.120 0.058 0.000 0.281 103 V C 0.754 176.934 176.094 0.144 0.000 1.041 103 V CA 0.103 62.491 62.300 0.146 0.000 1.016 103 V CB 0.930 32.819 31.823 0.111 0.000 0.984 103 V HN 0.868 nan 8.190 nan 0.000 0.478 104 T N 2.537 117.187 114.554 0.160 0.000 2.923 104 T HA 0.610 4.995 4.350 0.058 0.000 0.281 104 T C 0.268 175.003 174.700 0.058 0.000 0.995 104 T CA -0.756 61.413 62.100 0.116 0.000 0.985 104 T CB 1.236 70.197 68.868 0.156 0.000 1.114 104 T HN 0.343 nan 8.240 nan 0.000 0.548 105 I N 1.344 121.912 120.570 -0.004 0.000 3.764 105 I HA 0.456 4.661 4.170 0.058 0.000 0.336 105 I C 1.182 177.245 176.117 -0.091 0.000 1.465 105 I CA -0.182 61.072 61.300 -0.076 0.000 1.221 105 I CB -1.120 36.818 38.000 -0.104 0.000 1.348 105 I HN 1.151 nan 8.210 nan 0.000 0.432 106 G N 0.791 109.556 108.800 -0.058 0.000 2.690 106 G HA2 -0.200 3.795 3.960 0.058 0.000 0.686 106 G HA3 -0.200 3.795 3.960 0.058 0.000 0.686 106 G C 0.291 175.146 174.900 -0.075 0.000 1.277 106 G CA -0.294 44.755 45.100 -0.085 0.000 0.799 106 G HN 0.192 nan 8.290 nan 0.000 0.613 107 S N 0.130 115.766 115.700 -0.106 0.000 2.383 107 S HA -0.078 4.427 4.470 0.058 0.000 0.227 107 S C 2.252 176.737 174.600 -0.192 0.000 1.026 107 S CA 1.756 59.874 58.200 -0.138 0.000 0.981 107 S CB -0.148 62.966 63.200 -0.144 0.000 0.818 107 S HN 0.759 nan 8.310 nan 0.000 0.472 108 K N 1.158 121.493 120.400 -0.108 0.000 1.978 108 K HA -0.213 4.142 4.320 0.058 0.000 0.214 108 K C 2.255 178.797 176.600 -0.098 0.000 1.049 108 K CA 1.857 58.098 56.287 -0.076 0.000 0.939 108 K CB -0.196 32.276 32.500 -0.046 0.000 0.721 108 K HN 0.191 nan 8.250 nan 0.000 0.441 109 E N -0.587 119.551 120.200 -0.103 0.000 2.072 109 E HA -0.085 4.300 4.350 0.058 0.000 0.191 109 E C 1.792 178.256 176.600 -0.226 0.000 0.985 109 E CA 1.572 57.894 56.400 -0.129 0.000 0.801 109 E CB -0.399 29.217 29.700 -0.141 0.000 0.750 109 E HN 0.467 nan 8.360 nan 0.000 0.452 110 G N 0.759 109.457 108.800 -0.169 0.000 2.418 110 G HA2 -0.242 3.753 3.960 0.058 0.000 0.217 110 G HA3 -0.242 3.753 3.960 0.058 0.000 0.217 110 G C 1.461 176.342 174.900 -0.031 0.000 1.158 110 G CA 0.902 45.977 45.100 -0.041 0.000 0.771 110 G HN 0.325 nan 8.290 nan 0.000 0.545 111 L N 1.566 122.564 121.223 -0.374 0.000 2.017 111 L HA 0.139 4.514 4.340 0.058 0.000 0.208 111 L C 3.114 179.938 176.870 -0.076 0.000 1.073 111 L CA 2.049 56.612 54.840 -0.461 0.000 0.745 111 L CB -1.036 40.663 42.059 -0.600 0.000 0.894 111 L HN 0.261 nan 8.230 nan 0.000 0.432 112 A N -1.268 121.547 122.820 -0.008 0.000 1.917 112 A HA -0.295 4.060 4.320 0.058 0.000 0.219 112 A C 2.224 179.957 177.584 0.248 0.000 1.182 112 A CA 2.134 54.244 52.037 0.122 0.000 0.633 112 A CB -1.093 18.003 19.000 0.159 0.000 0.819 112 A HN 0.737 nan 8.150 nan 0.000 0.448 113 H N -1.887 117.235 119.070 0.085 0.000 2.363 113 H HA -0.065 4.526 4.556 0.058 0.000 0.301 113 H C 2.115 177.504 175.328 0.101 0.000 1.074 113 H CA 1.056 57.170 56.048 0.110 0.000 1.354 113 H CB -0.084 29.752 29.762 0.123 0.000 1.397 113 H HN 0.414 nan 8.280 nan 0.000 0.516 114 L N 0.849 122.233 121.223 0.269 0.000 2.043 114 L HA -0.234 4.141 4.340 0.058 0.000 0.212 114 L C 2.165 179.120 176.870 0.142 0.000 1.075 114 L CA 1.442 56.413 54.840 0.218 0.000 0.752 114 L CB -0.371 41.878 42.059 0.317 0.000 0.891 114 L HN 0.227 nan 8.230 nan 0.000 0.432 115 M N -1.384 118.286 119.600 0.117 0.000 2.099 115 M HA -0.181 4.334 4.480 0.058 0.000 0.262 115 M C 2.396 178.728 176.300 0.055 0.000 1.067 115 M CA 1.657 57.000 55.300 0.072 0.000 1.124 115 M CB -1.244 31.389 32.600 0.054 0.000 1.353 115 M HN 0.283 nan 8.290 nan 0.000 0.410 116 L N -0.106 121.156 121.223 0.065 0.000 2.131 116 L HA -0.164 4.211 4.340 0.058 0.000 0.210 116 L C 2.596 179.471 176.870 0.009 0.000 1.092 116 L CA 1.053 55.908 54.840 0.026 0.000 0.759 116 L CB -0.715 41.350 42.059 0.009 0.000 0.903 116 L HN 0.281 nan 8.230 nan 0.000 0.435 117 A N -0.721 122.120 122.820 0.033 0.000 2.067 117 A HA -0.108 4.247 4.320 0.058 0.000 0.217 117 A C 2.181 179.785 177.584 0.034 0.000 1.156 117 A CA 1.721 53.777 52.037 0.030 0.000 0.683 117 A CB -0.427 18.608 19.000 0.059 0.000 0.808 117 A HN 0.496 nan 8.150 nan 0.000 0.455 118 T N -3.928 110.651 114.554 0.042 0.000 2.959 118 T HA 0.555 4.940 4.350 0.058 0.000 0.254 118 T C 0.266 174.981 174.700 0.026 0.000 1.003 118 T CA -0.180 61.944 62.100 0.039 0.000 0.950 118 T CB -0.123 68.778 68.868 0.055 0.000 1.090 118 T HN 0.120 nan 8.240 nan 0.000 0.503 119 L N 0.929 122.161 121.223 0.015 0.000 2.354 119 L HA 0.780 5.155 4.340 0.058 0.000 0.264 119 L C -0.980 175.876 176.870 -0.023 0.000 1.008 119 L CA -0.978 53.861 54.840 -0.002 0.000 0.819 119 L CB 2.244 44.299 42.059 -0.008 0.000 1.339 119 L HN 0.048 nan 8.230 nan 0.000 0.420 120 D N -1.621 118.758 120.400 -0.034 0.000 2.752 120 D HA 0.253 4.928 4.640 0.058 0.000 0.313 120 D C -0.863 175.381 176.300 -0.092 0.000 1.225 120 D CA -0.563 53.405 54.000 -0.054 0.000 0.976 120 D CB 1.515 42.329 40.800 0.023 0.000 1.443 120 D HN 0.373 nan 8.370 nan 0.000 0.515 121 H N -0.173 118.901 119.070 0.007 0.000 3.094 121 H HA 0.300 4.891 4.556 0.060 0.000 0.320 121 H C 1.158 176.488 175.328 0.005 0.000 1.000 121 H CA 1.908 57.959 56.048 0.005 0.000 1.413 121 H CB 0.613 30.377 29.762 0.003 0.000 1.405 121 H HN 0.707 nan 8.280 nan 0.000 0.586 122 G N 3.422 112.282 108.800 0.100 0.000 2.213 122 G HA2 -0.207 3.788 3.960 0.058 0.000 0.226 122 G HA3 -0.207 3.788 3.960 0.058 0.000 0.226 122 G C -0.069 174.850 174.900 0.032 0.000 0.992 122 G CA -0.029 45.107 45.100 0.060 0.000 0.632 122 G HN 0.568 nan 8.290 nan 0.000 0.511 123 D N 0.778 121.188 120.400 0.017 0.000 2.229 123 D HA 0.662 5.337 4.640 0.058 0.000 0.249 123 D C -0.010 176.290 176.300 -0.001 0.000 1.027 123 D CA 0.347 54.351 54.000 0.007 0.000 0.923 123 D CB 1.550 42.350 40.800 0.002 0.000 1.174 123 D HN 0.054 nan 8.370 nan 0.000 0.443 124 T N 0.773 115.328 114.554 0.002 0.000 2.876 124 T HA 0.598 4.983 4.350 0.058 0.000 0.289 124 T C 0.158 174.859 174.700 0.002 0.000 1.014 124 T CA -0.641 61.457 62.100 -0.002 0.000 0.986 124 T CB 1.076 69.942 68.868 -0.002 0.000 1.021 124 T HN 0.333 nan 8.240 nan 0.000 0.458 125 I N 0.137 120.708 120.570 0.001 0.000 2.863 125 I HA 0.772 4.977 4.170 0.058 0.000 0.311 125 I C -1.351 174.775 176.117 0.015 0.000 1.026 125 I CA -1.381 59.926 61.300 0.012 0.000 1.077 125 I CB 1.312 39.322 38.000 0.017 0.000 1.262 125 I HN 0.441 nan 8.210 nan 0.000 0.461 126 L N 4.579 125.819 121.223 0.027 0.000 2.317 126 L HA 0.734 5.109 4.340 0.058 0.000 0.281 126 L C -0.618 176.295 176.870 0.071 0.000 1.024 126 L CA -0.904 53.957 54.840 0.035 0.000 0.810 126 L CB 1.823 43.894 42.059 0.020 0.000 1.240 126 L HN 0.441 nan 8.230 nan 0.000 0.427 127 V N 3.703 123.667 119.914 0.083 0.000 2.760 127 V HA 0.476 4.631 4.120 0.058 0.000 0.309 127 V C -2.160 174.018 176.094 0.140 0.000 1.077 127 V CA -1.669 60.703 62.300 0.119 0.000 0.910 127 V CB 3.034 34.920 31.823 0.104 0.000 1.008 127 V HN 0.541 nan 8.190 nan 0.000 0.424 128 P HA 0.148 nan 4.420 nan 0.000 0.271 128 P C -1.125 176.226 177.300 0.086 0.000 1.244 128 P CA -0.164 63.032 63.100 0.160 0.000 0.793 128 P CB 0.476 32.210 31.700 0.057 0.000 0.984 129 N N 0.547 119.278 118.700 0.051 0.000 2.500 129 N HA 0.287 5.062 4.740 0.058 0.000 0.291 129 N C -2.991 172.556 175.510 0.062 0.000 1.092 129 N CA -2.271 50.822 53.050 0.070 0.000 0.890 129 N CB 1.479 40.022 38.487 0.093 0.000 1.466 129 N HN 0.129 nan 8.380 nan 0.000 0.507 130 P HA 0.247 nan 4.420 nan 0.000 0.274 130 P C -0.634 176.645 177.300 -0.035 0.000 1.237 130 P CA -0.016 63.133 63.100 0.083 0.000 0.793 130 P CB 1.088 32.814 31.700 0.044 0.000 0.977 131 S N 0.470 116.199 115.700 0.049 0.000 2.727 131 S HA 0.303 4.808 4.470 0.058 0.000 0.278 131 S C -1.409 173.296 174.600 0.175 0.000 1.186 131 S CA -0.884 57.332 58.200 0.027 0.000 0.836 131 S CB 0.624 63.866 63.200 0.069 0.000 1.186 131 S HN 0.454 nan 8.310 nan 0.000 0.499 132 Y N 3.221 123.478 120.300 -0.071 0.000 2.436 132 Y HA 0.352 4.935 4.550 0.054 0.000 0.343 132 Y C -1.569 174.261 175.900 -0.116 0.000 1.008 132 Y CA -2.300 55.724 58.100 -0.128 0.000 1.241 132 Y CB 1.185 39.388 38.460 -0.429 0.000 1.153 132 Y HN 0.505 nan 8.280 nan 0.000 0.521 133 P HA -0.198 nan 4.420 nan 0.000 0.225 133 P C 1.218 178.416 177.300 -0.171 0.000 1.148 133 P CA 1.101 64.138 63.100 -0.105 0.000 0.779 133 P CB 0.283 31.997 31.700 0.023 0.000 0.780 134 I N -0.430 119.753 120.570 -0.645 0.000 2.439 134 I HA -0.153 4.052 4.170 0.058 0.000 0.251 134 I C 2.354 178.367 176.117 -0.174 0.000 1.139 134 I CA 0.984 62.014 61.300 -0.451 0.000 1.438 134 I CB -1.816 35.735 38.000 -0.748 0.000 1.085 134 I HN 0.135 nan 8.210 nan 0.000 0.427 135 H N 0.852 119.814 119.070 -0.181 0.000 2.267 135 H HA -0.148 4.443 4.556 0.058 0.000 0.297 135 H C 2.445 177.743 175.328 -0.051 0.000 1.080 135 H CA 1.440 57.451 56.048 -0.061 0.000 1.278 135 H CB -0.101 29.662 29.762 0.002 0.000 1.365 135 H HN 0.158 nan 8.280 nan 0.000 0.489 136 I N 0.316 120.917 120.570 0.051 0.000 2.113 136 I HA -0.394 3.811 4.170 0.058 0.000 0.242 136 I C 2.065 178.087 176.117 -0.158 0.000 1.057 136 I CA 1.629 62.881 61.300 -0.081 0.000 1.314 136 I CB -0.495 37.401 38.000 -0.172 0.000 1.022 136 I HN 0.263 nan 8.210 nan 0.000 0.408 137 Y N 0.925 121.194 120.300 -0.052 0.000 2.128 137 Y HA -0.196 4.388 4.550 0.056 0.000 0.284 137 Y C 2.676 178.559 175.900 -0.028 0.000 1.154 137 Y CA 1.751 59.822 58.100 -0.048 0.000 1.149 137 Y CB -1.168 37.248 38.460 -0.073 0.000 0.976 137 Y HN 0.153 nan 8.280 nan 0.000 0.505 138 G N -0.700 108.175 108.800 0.126 0.000 2.442 138 G HA2 -0.270 3.725 3.960 0.058 0.000 0.219 138 G HA3 -0.270 3.725 3.960 0.058 0.000 0.219 138 G C 1.870 176.796 174.900 0.043 0.000 1.141 138 G CA 1.094 46.243 45.100 0.081 0.000 0.763 138 G HN 0.497 nan 8.290 nan 0.000 0.554 139 A N 0.004 122.833 122.820 0.015 0.000 1.872 139 A HA 0.149 4.504 4.320 0.058 0.000 0.214 139 A C 2.608 180.163 177.584 -0.048 0.000 1.187 139 A CA 1.709 53.737 52.037 -0.014 0.000 0.614 139 A CB -0.603 18.387 19.000 -0.016 0.000 0.826 139 A HN 0.241 nan 8.150 nan 0.000 0.442 140 V N 0.236 120.108 119.914 -0.070 0.000 2.295 140 V HA -0.265 3.890 4.120 0.058 0.000 0.246 140 V C 2.418 178.482 176.094 -0.049 0.000 1.049 140 V CA 2.028 64.276 62.300 -0.088 0.000 1.024 140 V CB -0.719 31.014 31.823 -0.150 0.000 0.648 140 V HN 0.560 nan 8.190 nan 0.000 0.447 141 I N 0.628 121.205 120.570 0.011 0.000 2.264 141 I HA -0.270 3.935 4.170 0.058 0.000 0.248 141 I C 2.518 178.632 176.117 -0.005 0.000 1.111 141 I CA 1.588 62.910 61.300 0.037 0.000 1.382 141 I CB -0.460 37.590 38.000 0.082 0.000 1.060 141 I HN 0.293 nan 8.210 nan 0.000 0.418 142 A N -0.121 122.683 122.820 -0.027 0.000 2.121 142 A HA 0.123 4.478 4.320 0.058 0.000 0.218 142 A C 1.988 179.455 177.584 -0.195 0.000 1.154 142 A CA 1.251 53.252 52.037 -0.060 0.000 0.679 142 A CB -0.613 18.370 19.000 -0.028 0.000 0.795 142 A HN 0.612 nan 8.150 nan 0.000 0.458 143 G N -2.606 106.025 108.800 -0.283 0.000 2.184 143 G HA2 0.154 4.149 3.960 0.058 0.000 0.206 143 G HA3 0.154 4.149 3.960 0.058 0.000 0.206 143 G C 0.468 175.137 174.900 -0.384 0.000 0.995 143 G CA 0.255 44.960 45.100 -0.658 0.000 0.651 143 G HN 1.524 nan 8.290 nan 0.000 0.511 144 A N 0.261 122.966 122.820 -0.191 0.000 2.406 144 A HA 0.611 4.966 4.320 0.058 0.000 0.243 144 A C 0.663 178.203 177.584 -0.075 0.000 1.082 144 A CA 0.347 52.325 52.037 -0.099 0.000 0.786 144 A CB 0.309 19.274 19.000 -0.058 0.000 1.029 144 A HN 0.409 nan 8.150 nan 0.000 0.495 145 Q N -0.309 119.467 119.800 -0.040 0.000 2.212 145 Q HA 0.546 4.921 4.340 0.058 0.000 0.238 145 Q C -0.943 175.039 176.000 -0.029 0.000 0.955 145 Q CA -0.555 55.230 55.803 -0.031 0.000 0.906 145 Q CB 1.702 30.434 28.738 -0.010 0.000 1.215 145 Q HN 0.441 nan 8.270 nan 0.000 0.478 146 V N 1.517 121.412 119.914 -0.032 0.000 2.540 146 V HA 0.426 4.581 4.120 0.058 0.000 0.302 146 V C -0.449 175.639 176.094 -0.010 0.000 1.035 146 V CA -0.821 61.465 62.300 -0.024 0.000 0.873 146 V CB 1.867 33.665 31.823 -0.041 0.000 0.992 146 V HN 0.604 nan 8.190 nan 0.000 0.428 147 R N 3.363 123.863 120.500 -0.000 0.000 2.343 147 R HA 0.617 4.992 4.340 0.058 0.000 0.320 147 R C -0.109 176.200 176.300 0.016 0.000 0.956 147 R CA -0.061 56.041 56.100 0.004 0.000 0.836 147 R CB 1.501 31.797 30.300 -0.006 0.000 1.151 147 R HN 0.877 nan 8.270 nan 0.000 0.450 148 S N 2.193 117.909 115.700 0.028 0.000 2.578 148 S HA 0.649 5.154 4.470 0.058 0.000 0.283 148 S C -0.561 174.054 174.600 0.024 0.000 1.195 148 S CA -0.721 57.506 58.200 0.044 0.000 1.050 148 S CB 1.815 65.055 63.200 0.067 0.000 1.012 148 S HN 0.290 nan 8.310 nan 0.000 0.511 149 V N 3.530 123.464 119.914 0.033 0.000 2.443 149 V HA 0.426 4.581 4.120 0.058 0.000 0.293 149 V C -2.560 173.538 176.094 0.006 0.000 1.021 149 V CA -2.130 60.169 62.300 -0.002 0.000 0.848 149 V CB 1.356 33.170 31.823 -0.015 0.000 0.998 149 V HN 0.777 nan 8.190 nan 0.000 0.424 150 P HA 0.080 nan 4.420 nan 0.000 0.261 150 P C -0.656 176.628 177.300 -0.025 0.000 1.183 150 P CA 0.036 62.895 63.100 -0.402 0.000 0.761 150 P CB 0.423 31.705 31.700 -0.698 0.000 0.785 151 L N 6.093 127.292 121.223 -0.040 0.000 2.457 151 L HA 0.476 4.851 4.340 0.058 0.000 0.252 151 L C -1.366 175.486 176.870 -0.031 0.000 1.132 151 L CA -0.326 54.495 54.840 -0.032 0.000 0.938 151 L CB 0.811 42.735 42.059 -0.225 0.000 1.246 151 L HN 0.040 nan 8.230 nan 0.000 0.476 152 V N 4.129 124.060 119.914 0.028 0.000 2.932 152 V HA 0.532 4.687 4.120 0.058 0.000 0.307 152 V C -2.204 173.955 176.094 0.108 0.000 1.147 152 V CA -1.412 60.946 62.300 0.096 0.000 0.951 152 V CB 2.439 34.367 31.823 0.175 0.000 1.031 152 V HN 0.483 nan 8.190 nan 0.000 0.426 153 P HA 0.256 nan 4.420 nan 0.000 0.263 153 P C 0.910 178.282 177.300 0.120 0.000 1.175 153 P CA 1.648 64.816 63.100 0.112 0.000 0.761 153 P CB 0.425 32.197 31.700 0.121 0.000 0.794 154 G N 2.054 110.917 108.800 0.105 0.000 2.232 154 G HA2 -0.177 3.818 3.960 0.058 0.000 0.226 154 G HA3 -0.177 3.818 3.960 0.058 0.000 0.226 154 G C 0.021 174.982 174.900 0.101 0.000 0.996 154 G CA -0.340 44.821 45.100 0.101 0.000 0.626 154 G HN 0.502 nan 8.290 nan 0.000 0.509 155 I N 1.497 122.131 120.570 0.106 0.000 2.441 155 I HA 0.358 4.563 4.170 0.058 0.000 0.295 155 I C -0.857 175.326 176.117 0.109 0.000 0.994 155 I CA -0.841 60.516 61.300 0.096 0.000 1.144 155 I CB 1.804 39.850 38.000 0.076 0.000 1.314 155 I HN 0.039 nan 8.210 nan 0.000 0.445 156 D N 5.133 125.596 120.400 0.105 0.000 2.352 156 D HA 0.028 4.703 4.640 0.058 0.000 0.245 156 D C 0.508 176.882 176.300 0.123 0.000 1.224 156 D CA -0.016 54.065 54.000 0.134 0.000 0.879 156 D CB 0.652 41.522 40.800 0.116 0.000 1.057 156 D HN 0.457 nan 8.370 nan 0.000 0.491 157 F N 3.823 123.758 119.950 -0.025 0.000 2.186 157 F HA -0.070 4.491 4.527 0.057 0.000 0.299 157 F C 1.215 176.871 175.800 -0.240 0.000 1.090 157 F CA 1.118 59.020 58.000 -0.163 0.000 1.307 157 F CB -0.007 38.849 39.000 -0.240 0.000 1.019 157 F HN 0.317 nan 8.300 nan 0.000 0.489 158 F N 0.444 120.344 119.950 -0.084 0.000 2.206 158 F HA -0.143 4.418 4.527 0.057 0.000 0.298 158 F C 2.532 178.218 175.800 -0.189 0.000 1.090 158 F CA 1.391 59.260 58.000 -0.218 0.000 1.323 158 F CB -0.954 37.996 39.000 -0.084 0.000 1.028 158 F HN 0.054 nan 8.300 nan 0.000 0.492 159 N N 0.642 119.379 118.700 0.061 0.000 2.069 159 N HA -0.193 4.582 4.740 0.058 0.000 0.191 159 N C 1.677 177.144 175.510 -0.070 0.000 1.031 159 N CA 1.510 54.566 53.050 0.010 0.000 0.852 159 N CB 0.007 38.516 38.487 0.036 0.000 1.018 159 N HN 0.215 nan 8.380 nan 0.000 0.423 160 E N 0.896 121.022 120.200 -0.123 0.000 2.152 160 E HA -0.122 4.263 4.350 0.058 0.000 0.192 160 E C 1.980 178.430 176.600 -0.249 0.000 0.983 160 E CA 0.232 56.539 56.400 -0.155 0.000 0.818 160 E CB -0.434 29.187 29.700 -0.131 0.000 0.758 160 E HN 0.340 nan 8.360 nan 0.000 0.467 161 L N 1.610 122.576 121.223 -0.428 0.000 2.056 161 L HA -0.139 4.236 4.340 0.058 0.000 0.207 161 L C 2.253 178.954 176.870 -0.281 0.000 1.078 161 L CA 1.965 56.525 54.840 -0.467 0.000 0.749 161 L CB -0.396 41.189 42.059 -0.790 0.000 0.901 161 L HN 0.075 nan 8.230 nan 0.000 0.433 162 E N -0.899 119.175 120.200 -0.211 0.000 2.107 162 E HA -0.202 4.183 4.350 0.058 0.000 0.191 162 E C 2.311 178.777 176.600 -0.223 0.000 0.982 162 E CA 0.648 56.915 56.400 -0.221 0.000 0.809 162 E CB -0.055 29.597 29.700 -0.080 0.000 0.756 162 E HN 0.438 nan 8.360 nan 0.000 0.459 163 R N 0.125 120.539 120.500 -0.144 0.000 2.083 163 R HA -0.158 4.217 4.340 0.058 0.000 0.237 163 R C 2.439 178.664 176.300 -0.124 0.000 1.137 163 R CA 1.355 57.391 56.100 -0.107 0.000 0.951 163 R CB -0.414 29.844 30.300 -0.070 0.000 0.851 163 R HN 0.207 nan 8.270 nan 0.000 0.434 164 A N 1.064 123.800 122.820 -0.141 0.000 1.933 164 A HA -0.144 4.211 4.320 0.058 0.000 0.218 164 A C 2.135 179.639 177.584 -0.134 0.000 1.175 164 A CA 1.221 53.188 52.037 -0.118 0.000 0.628 164 A CB -0.469 18.463 19.000 -0.115 0.000 0.814 164 A HN 0.205 nan 8.150 nan 0.000 0.444 165 I N -0.986 119.456 120.570 -0.212 0.000 2.142 165 I HA -0.255 3.950 4.170 0.058 0.000 0.240 165 I C 2.665 178.647 176.117 -0.226 0.000 1.078 165 I CA 1.476 62.615 61.300 -0.269 0.000 1.343 165 I CB -0.335 37.343 38.000 -0.537 0.000 1.046 165 I HN 0.271 nan 8.210 nan 0.000 0.405 166 R N 0.543 120.901 120.500 -0.237 0.000 2.193 166 R HA -0.043 4.332 4.340 0.058 0.000 0.213 166 R C 1.191 177.461 176.300 -0.049 0.000 1.055 166 R CA 0.727 56.759 56.100 -0.113 0.000 0.995 166 R CB -0.049 30.208 30.300 -0.072 0.000 0.893 166 R HN 0.457 nan 8.270 nan 0.000 0.459 167 E N -0.043 120.123 120.200 -0.057 0.000 2.501 167 E HA 0.132 4.517 4.350 0.058 0.000 0.200 167 E C -0.597 175.990 176.600 -0.022 0.000 1.016 167 E CA -0.092 56.290 56.400 -0.029 0.000 0.921 167 E CB 1.097 30.780 29.700 -0.028 0.000 1.034 167 E HN -0.010 nan 8.360 nan 0.000 0.468 168 S N 1.193 116.877 115.700 -0.027 0.000 2.552 168 S HA 0.476 4.981 4.470 0.058 0.000 0.314 168 S C -0.320 174.276 174.600 -0.006 0.000 1.099 168 S CA -0.544 57.646 58.200 -0.016 0.000 1.070 168 S CB 1.158 64.344 63.200 -0.023 0.000 0.998 168 S HN 0.101 nan 8.310 nan 0.000 0.474 169 I N 4.582 125.153 120.570 0.002 0.000 2.406 169 I HA 0.377 4.582 4.170 0.058 0.000 0.290 169 I C -1.744 174.380 176.117 0.011 0.000 0.999 169 I CA -2.004 59.301 61.300 0.009 0.000 1.124 169 I CB 1.347 39.354 38.000 0.012 0.000 1.289 169 I HN 0.431 nan 8.210 nan 0.000 0.441 170 P HA 0.139 nan 4.420 nan 0.000 0.271 170 P C -0.884 176.424 177.300 0.013 0.000 1.244 170 P CA -0.607 62.503 63.100 0.017 0.000 0.793 170 P CB 0.461 32.173 31.700 0.020 0.000 0.984 171 K N 0.540 120.951 120.400 0.018 0.000 2.295 171 K HA 0.301 4.656 4.320 0.058 0.000 0.270 171 K C -2.337 174.268 176.600 0.009 0.000 1.011 171 K CA -1.582 54.711 56.287 0.010 0.000 0.953 171 K CB -0.651 31.865 32.500 0.027 0.000 0.956 171 K HN 0.192 nan 8.250 nan 0.000 0.477 172 P HA -0.003 nan 4.420 nan 0.000 0.266 172 P C -0.236 177.075 177.300 0.019 0.000 1.195 172 P CA -0.130 62.971 63.100 0.002 0.000 0.768 172 P CB 0.567 32.260 31.700 -0.012 0.000 0.838 173 R N 1.787 122.301 120.500 0.024 0.000 2.161 173 R HA 0.191 4.567 4.340 0.058 0.000 0.213 173 R C 1.010 177.337 176.300 0.044 0.000 1.055 173 R CA 0.836 56.957 56.100 0.035 0.000 0.996 173 R CB 0.048 30.367 30.300 0.031 0.000 0.901 173 R HN 0.543 nan 8.270 nan 0.000 0.456 174 M N 0.280 119.906 119.600 0.043 0.000 2.578 174 M HA 0.391 4.906 4.480 0.058 0.000 0.276 174 M C -1.900 174.435 176.300 0.059 0.000 1.245 174 M CA -0.906 54.428 55.300 0.057 0.000 0.871 174 M CB 2.655 35.291 32.600 0.060 0.000 1.722 174 M HN -0.066 nan 8.290 nan 0.000 0.473 175 M N 2.650 122.299 119.600 0.083 0.000 2.395 175 M HA 0.677 5.192 4.480 0.058 0.000 0.307 175 M C -2.086 174.283 176.300 0.115 0.000 1.091 175 M CA -0.693 54.667 55.300 0.100 0.000 0.919 175 M CB 2.218 34.891 32.600 0.123 0.000 1.662 175 M HN 0.672 nan 8.290 nan 0.000 0.440 176 I N 4.340 124.964 120.570 0.091 0.000 2.389 176 I HA 0.591 4.796 4.170 0.058 0.000 0.288 176 I C -1.034 175.126 176.117 0.073 0.000 0.999 176 I CA -0.586 60.721 61.300 0.012 0.000 1.129 176 I CB 1.711 39.624 38.000 -0.144 0.000 1.288 176 I HN 0.728 nan 8.210 nan 0.000 0.444 177 L N 4.874 126.179 121.223 0.136 0.000 2.359 177 L HA 0.942 5.317 4.340 0.058 0.000 0.256 177 L C -0.204 176.786 176.870 0.200 0.000 1.026 177 L CA -0.788 54.188 54.840 0.227 0.000 0.828 177 L CB 2.510 44.891 42.059 0.536 0.000 1.406 177 L HN 0.686 nan 8.230 nan 0.000 0.413 178 G N 0.966 109.734 108.800 -0.053 0.000 2.552 178 G HA2 0.645 4.640 3.960 0.058 0.000 0.288 178 G HA3 0.645 4.640 3.960 0.058 0.000 0.288 178 G C -1.806 172.865 174.900 -0.381 0.000 1.358 178 G CA -0.227 44.820 45.100 -0.088 0.000 1.305 178 G HN 0.233 nan 8.290 nan 0.000 0.602 179 F N 1.872 122.094 119.950 0.452 0.000 2.574 179 F HA 0.516 5.077 4.527 0.057 0.000 0.313 179 F C -2.346 173.657 175.800 0.338 0.000 1.130 179 F CA -1.997 56.170 58.000 0.279 0.000 0.936 179 F CB 3.157 42.236 39.000 0.132 0.000 1.219 179 F HN 0.199 nan 8.300 nan 0.000 0.445 180 P HA 0.179 nan 4.420 nan 0.000 0.271 180 P C -0.732 176.609 177.300 0.068 0.000 1.218 180 P CA -0.421 62.809 63.100 0.217 0.000 0.780 180 P CB 0.853 32.605 31.700 0.086 0.000 0.901 181 S N 1.405 117.047 115.700 -0.097 0.000 2.585 181 S HA 0.372 4.877 4.470 0.058 0.000 0.277 181 S C -0.073 174.298 174.600 -0.382 0.000 1.241 181 S CA -0.716 57.306 58.200 -0.296 0.000 1.041 181 S CB 0.550 63.485 63.200 -0.442 0.000 0.987 181 S HN 0.359 nan 8.310 nan 0.000 0.512 182 N N 2.472 120.917 118.700 -0.424 0.000 2.437 182 N HA 0.419 5.194 4.740 0.058 0.000 0.259 182 N C -2.065 173.057 175.510 -0.646 0.000 0.983 182 N CA -2.290 50.379 53.050 -0.634 0.000 0.937 182 N CB 1.643 39.785 38.487 -0.575 0.000 1.122 182 N HN 0.432 nan 8.380 nan 0.000 0.499 183 P HA 0.121 nan 4.420 nan 0.000 0.281 183 P C 0.739 177.348 177.300 -1.153 0.000 1.291 183 P CA 0.316 62.620 63.100 -1.325 0.000 0.906 183 P CB 0.314 30.807 31.700 -2.011 0.000 1.388 184 T N -3.506 110.308 114.554 -1.233 0.000 3.085 184 T HA 0.285 4.670 4.350 0.058 0.000 0.263 184 T C 1.363 175.776 174.700 -0.480 0.000 1.127 184 T CA 0.806 62.151 62.100 -1.259 0.000 1.103 184 T CB -0.895 67.371 68.868 -1.003 0.000 0.921 184 T HN 0.118 nan 8.240 nan 0.000 0.510 185 A N 0.141 122.746 122.820 -0.358 0.000 2.979 185 A HA -0.240 4.115 4.320 0.058 0.000 0.260 185 A C 0.454 177.932 177.584 -0.175 0.000 1.282 185 A CA 1.133 53.048 52.037 -0.204 0.000 0.971 185 A CB -2.639 16.300 19.000 -0.102 0.000 1.124 185 A HN 0.812 nan 8.150 nan 0.000 0.826 186 Q N -0.625 119.072 119.800 -0.171 0.000 2.361 186 Q HA 0.360 4.735 4.340 0.058 0.000 0.276 186 Q C -0.211 175.773 176.000 -0.028 0.000 1.022 186 Q CA 0.767 56.508 55.803 -0.102 0.000 0.898 186 Q CB 0.291 28.998 28.738 -0.051 0.000 1.246 186 Q HN 0.769 nan 8.270 nan 0.000 0.410 187 C N 3.920 123.133 119.300 -0.145 0.000 2.507 187 C HA 0.756 5.251 4.460 0.058 0.000 0.319 187 C C -0.221 174.633 174.990 -0.226 0.000 1.208 187 C CA -0.950 58.005 59.018 -0.105 0.000 1.619 187 C CB 0.746 28.406 27.740 -0.133 0.000 2.230 187 C HN 0.724 nan 8.230 nan 0.000 0.492 188 V N 0.212 119.904 119.914 -0.370 0.000 3.113 188 V HA 0.753 4.908 4.120 0.058 0.000 0.316 188 V C -0.651 175.322 176.094 -0.202 0.000 1.125 188 V CA -0.546 61.422 62.300 -0.554 0.000 1.026 188 V CB 1.660 32.593 31.823 -1.484 0.000 1.080 188 V HN 0.918 nan 8.190 nan 0.000 0.444 189 E N 0.285 120.409 120.200 -0.128 0.000 2.285 189 E HA 0.417 4.803 4.350 0.058 0.000 0.254 189 E C 0.385 176.997 176.600 0.021 0.000 1.011 189 E CA -0.835 55.559 56.400 -0.010 0.000 0.873 189 E CB 1.795 31.501 29.700 0.010 0.000 1.229 189 E HN 0.632 nan 8.360 nan 0.000 0.422 190 L N 1.975 123.256 121.223 0.096 0.000 2.083 190 L HA -0.184 4.191 4.340 0.058 0.000 0.209 190 L C 1.905 178.861 176.870 0.143 0.000 1.083 190 L CA 2.029 56.977 54.840 0.180 0.000 0.752 190 L CB -0.599 41.539 42.059 0.131 0.000 0.899 190 L HN 0.678 nan 8.230 nan 0.000 0.433 191 D N -0.872 119.575 120.400 0.078 0.000 2.133 191 D HA -0.367 4.308 4.640 0.058 0.000 0.192 191 D C 2.165 178.496 176.300 0.051 0.000 1.001 191 D CA 2.042 56.070 54.000 0.047 0.000 0.844 191 D CB -1.106 39.710 40.800 0.026 0.000 0.944 191 D HN 0.429 nan 8.370 nan 0.000 0.447 192 F N 0.573 120.474 119.950 -0.081 0.000 2.065 192 F HA -0.184 4.376 4.527 0.056 0.000 0.298 192 F C 2.369 178.174 175.800 0.009 0.000 1.112 192 F CA 1.900 59.862 58.000 -0.064 0.000 1.212 192 F CB -0.610 38.204 39.000 -0.310 0.000 0.975 192 F HN -0.133 nan 8.300 nan 0.000 0.476 193 F N 0.950 121.058 119.950 0.263 0.000 2.171 193 F HA -0.207 4.359 4.527 0.065 0.000 0.300 193 F C 2.544 178.353 175.800 0.016 0.000 1.090 193 F CA 1.221 59.306 58.000 0.141 0.000 1.293 193 F CB -0.589 38.475 39.000 0.106 0.000 1.013 193 F HN 0.179 nan 8.300 nan 0.000 0.486 194 E N 0.498 120.796 120.200 0.163 0.000 2.347 194 E HA -0.202 4.183 4.350 0.058 0.000 0.196 194 E C 2.051 178.627 176.600 -0.039 0.000 1.008 194 E CA 0.716 57.149 56.400 0.056 0.000 0.852 194 E CB -0.379 29.341 29.700 0.033 0.000 0.783 194 E HN 0.409 nan 8.360 nan 0.000 0.505 195 R N 0.927 121.338 120.500 -0.149 0.000 2.100 195 R HA 0.005 4.380 4.340 0.058 0.000 0.220 195 R C 2.141 178.338 176.300 -0.173 0.000 1.091 195 R CA 0.638 56.539 56.100 -0.332 0.000 0.986 195 R CB 0.073 29.881 30.300 -0.820 0.000 0.888 195 R HN 0.054 nan 8.270 nan 0.000 0.444 196 V N 0.197 120.104 119.914 -0.012 0.000 2.237 196 V HA -0.255 3.900 4.120 0.058 0.000 0.245 196 V C 2.269 178.438 176.094 0.126 0.000 1.046 196 V CA 1.848 64.246 62.300 0.163 0.000 1.007 196 V CB -0.419 31.546 31.823 0.238 0.000 0.638 196 V HN 0.159 nan 8.190 nan 0.000 0.445 197 V N 0.335 120.318 119.914 0.114 0.000 2.324 197 V HA -0.336 3.819 4.120 0.058 0.000 0.250 197 V C 2.666 178.792 176.094 0.054 0.000 1.060 197 V CA 2.348 64.698 62.300 0.084 0.000 1.042 197 V CB -1.159 30.705 31.823 0.068 0.000 0.650 197 V HN 0.593 nan 8.190 nan 0.000 0.450 198 A N -0.828 122.006 122.820 0.024 0.000 1.929 198 A HA -0.120 4.235 4.320 0.058 0.000 0.216 198 A C 2.117 179.720 177.584 0.032 0.000 1.176 198 A CA 1.786 53.827 52.037 0.006 0.000 0.628 198 A CB -0.426 18.555 19.000 -0.032 0.000 0.816 198 A HN 0.466 nan 8.150 nan 0.000 0.444 199 L N -0.409 120.851 121.223 0.062 0.000 2.072 199 L HA 0.038 4.413 4.340 0.058 0.000 0.205 199 L C 2.677 179.667 176.870 0.200 0.000 1.079 199 L CA 1.921 56.848 54.840 0.145 0.000 0.752 199 L CB -0.598 41.551 42.059 0.149 0.000 0.906 199 L HN 0.317 nan 8.230 nan 0.000 0.436 200 A N -0.568 122.339 122.820 0.145 0.000 1.883 200 A HA -0.234 4.121 4.320 0.058 0.000 0.217 200 A C 2.357 180.012 177.584 0.119 0.000 1.186 200 A CA 1.974 54.094 52.037 0.138 0.000 0.624 200 A CB -0.529 18.541 19.000 0.117 0.000 0.822 200 A HN 0.459 nan 8.150 nan 0.000 0.444 201 K N -0.874 119.571 120.400 0.076 0.000 2.148 201 K HA -0.154 4.201 4.320 0.058 0.000 0.204 201 K C 2.336 178.939 176.600 0.005 0.000 1.050 201 K CA 1.297 57.606 56.287 0.038 0.000 0.942 201 K CB -0.129 32.381 32.500 0.018 0.000 0.724 201 K HN 0.705 nan 8.250 nan 0.000 0.446 202 Q N -0.199 119.594 119.800 -0.013 0.000 2.124 202 Q HA -0.169 4.206 4.340 0.058 0.000 0.202 202 Q C 0.792 176.624 176.000 -0.281 0.000 0.977 202 Q CA 1.594 57.300 55.803 -0.162 0.000 0.850 202 Q CB 0.123 28.738 28.738 -0.206 0.000 0.901 202 Q HN 0.376 nan 8.270 nan 0.000 0.429 203 Y N -0.329 119.976 120.300 0.007 0.000 2.467 203 Y HA 0.144 4.729 4.550 0.057 0.000 0.250 203 Y C -0.243 175.665 175.900 0.013 0.000 1.155 203 Y CA 0.085 58.190 58.100 0.009 0.000 1.249 203 Y CB 0.697 39.162 38.460 0.009 0.000 1.146 203 Y HN 0.150 nan 8.280 nan 0.000 0.524 204 D N 0.709 121.180 120.400 0.119 0.000 2.697 204 D HA -0.159 4.516 4.640 0.058 0.000 0.238 204 D C -1.309 175.048 176.300 0.095 0.000 1.152 204 D CA 0.339 54.389 54.000 0.083 0.000 0.666 204 D CB -0.967 39.865 40.800 0.053 0.000 1.037 204 D HN 0.005 nan 8.370 nan 0.000 0.423 205 V N 2.533 122.512 119.914 0.109 0.000 2.384 205 V HA 0.393 4.548 4.120 0.058 0.000 0.287 205 V C 1.157 177.301 176.094 0.084 0.000 1.020 205 V CA -0.717 61.637 62.300 0.090 0.000 0.850 205 V CB 1.548 33.423 31.823 0.087 0.000 0.987 205 V HN 0.242 nan 8.190 nan 0.000 0.436 206 M N 4.211 123.855 119.600 0.074 0.000 2.250 206 M HA 0.286 4.801 4.480 0.058 0.000 0.325 206 M C -0.538 175.820 176.300 0.096 0.000 1.084 206 M CA 0.343 55.689 55.300 0.077 0.000 1.161 206 M CB 0.766 33.407 32.600 0.069 0.000 1.481 206 M HN 0.380 nan 8.290 nan 0.000 0.449 207 V N 3.211 123.189 119.914 0.107 0.000 2.487 207 V HA 0.424 4.579 4.120 0.058 0.000 0.298 207 V C -0.482 175.705 176.094 0.155 0.000 1.028 207 V CA -0.831 61.555 62.300 0.143 0.000 0.860 207 V CB 1.823 33.743 31.823 0.162 0.000 0.991 207 V HN 0.579 nan 8.190 nan 0.000 0.427 208 V N 4.578 124.599 119.914 0.177 0.000 2.370 208 V HA 0.436 4.591 4.120 0.058 0.000 0.283 208 V C -0.256 175.996 176.094 0.264 0.000 1.023 208 V CA -0.483 61.943 62.300 0.211 0.000 0.857 208 V CB 1.342 33.267 31.823 0.170 0.000 0.985 208 V HN 0.907 nan 8.190 nan 0.000 0.443 209 H N 4.020 123.207 119.070 0.195 0.000 2.547 209 H HA 0.353 4.944 4.556 0.058 0.000 0.342 209 H C -1.466 174.015 175.328 0.255 0.000 1.048 209 H CA -0.664 55.513 56.048 0.215 0.000 1.204 209 H CB 2.024 31.892 29.762 0.177 0.000 1.493 209 H HN 0.649 nan 8.280 nan 0.000 0.511 210 D N 5.261 125.427 120.400 -0.390 0.000 2.359 210 D HA 0.037 4.713 4.640 0.058 0.000 0.230 210 D C -0.009 176.062 176.300 -0.381 0.000 1.118 210 D CA -0.479 53.391 54.000 -0.217 0.000 0.844 210 D CB 0.994 41.792 40.800 -0.003 0.000 1.059 210 D HN 0.443 nan 8.370 nan 0.000 0.493 211 L N 4.201 125.358 121.223 -0.109 0.000 2.791 211 L HA 0.357 4.732 4.340 0.058 0.000 0.239 211 L C 1.825 178.848 176.870 0.254 0.000 1.203 211 L CA 0.108 55.028 54.840 0.133 0.000 1.002 211 L CB -0.391 41.862 42.059 0.324 0.000 1.295 211 L HN 0.499 nan 8.230 nan 0.000 0.504 212 A N -0.363 122.434 122.820 -0.038 0.000 1.958 212 A HA -0.253 4.103 4.320 0.058 0.000 0.221 212 A C 1.448 178.814 177.584 -0.363 0.000 1.178 212 A CA 1.931 53.751 52.037 -0.361 0.000 0.642 212 A CB -0.853 17.732 19.000 -0.692 0.000 0.816 212 A HN 0.562 nan 8.150 nan 0.000 0.453 213 Y N -0.783 119.567 120.300 0.082 0.000 2.583 213 Y HA 0.421 5.010 4.550 0.065 0.000 0.294 213 Y C 2.140 178.122 175.900 0.136 0.000 1.170 213 Y CA -0.162 57.971 58.100 0.055 0.000 1.265 213 Y CB -0.317 38.120 38.460 -0.038 0.000 1.119 213 Y HN 0.335 nan 8.280 nan 0.000 0.522 214 A N 0.213 123.242 122.820 0.347 0.000 1.958 214 A HA -0.245 4.110 4.320 0.058 0.000 0.221 214 A C 1.803 179.509 177.584 0.204 0.000 1.178 214 A CA 2.440 54.661 52.037 0.307 0.000 0.642 214 A CB -0.296 18.904 19.000 0.333 0.000 0.816 214 A HN 0.373 nan 8.150 nan 0.000 0.453 215 D N -0.786 119.732 120.400 0.197 0.000 2.346 215 D HA 0.088 4.763 4.640 0.058 0.000 0.206 215 D C 0.216 176.542 176.300 0.042 0.000 1.001 215 D CA 0.162 54.220 54.000 0.097 0.000 0.871 215 D CB 0.078 40.928 40.800 0.083 0.000 0.943 215 D HN 0.281 nan 8.370 nan 0.000 0.518 216 I N 2.980 123.572 120.570 0.037 0.000 2.204 216 I HA 0.084 4.289 4.170 0.058 0.000 0.291 216 I C 0.372 176.258 176.117 -0.385 0.000 1.153 216 I CA -0.426 60.816 61.300 -0.097 0.000 1.546 216 I CB -0.808 37.165 38.000 -0.046 0.000 1.490 216 I HN -0.276 nan 8.210 nan 0.000 0.697 217 V N 2.174 121.882 119.914 -0.343 0.000 2.680 217 V HA 0.666 4.821 4.120 0.058 0.000 0.309 217 V C -0.950 174.953 176.094 -0.318 0.000 1.052 217 V CA -0.773 61.313 62.300 -0.355 0.000 0.908 217 V CB 2.099 33.915 31.823 -0.012 0.000 1.001 217 V HN 0.255 nan 8.190 nan 0.000 0.431 218 Y N 0.791 121.147 120.300 0.092 0.000 2.587 218 Y HA 0.603 5.189 4.550 0.060 0.000 0.337 218 Y C 0.648 176.620 175.900 0.121 0.000 1.065 218 Y CA -1.086 57.058 58.100 0.074 0.000 1.126 218 Y CB 0.861 39.333 38.460 0.019 0.000 1.279 218 Y HN 0.846 nan 8.280 nan 0.000 0.489 219 D N 0.625 121.187 120.400 0.270 0.000 2.737 219 D HA -0.190 4.485 4.640 0.058 0.000 0.233 219 D C 1.263 177.679 176.300 0.193 0.000 1.155 219 D CA 1.709 55.824 54.000 0.192 0.000 0.667 219 D CB -1.294 39.614 40.800 0.180 0.000 1.060 219 D HN 1.130 nan 8.370 nan 0.000 0.427 220 G N -1.186 107.714 108.800 0.166 0.000 2.179 220 G HA2 -0.346 3.649 3.960 0.058 0.000 0.260 220 G HA3 -0.346 3.649 3.960 0.058 0.000 0.260 220 G C 0.262 175.230 174.900 0.114 0.000 0.977 220 G CA 0.346 45.510 45.100 0.106 0.000 0.641 220 G HN 0.426 nan 8.290 nan 0.000 0.533 221 W N 1.337 122.647 121.300 0.018 0.000 2.079 221 W HA 0.583 5.277 4.660 0.056 0.000 0.354 221 W C 0.242 176.758 176.519 -0.005 0.000 1.302 221 W CA 0.677 58.026 57.345 0.007 0.000 1.281 221 W CB 0.395 29.860 29.460 0.009 0.000 1.165 221 W HN 0.156 nan 8.180 nan 0.000 0.603 222 K N 1.958 122.330 120.400 -0.047 0.000 2.523 222 K HA 0.554 4.909 4.320 0.058 0.000 0.257 222 K C -1.239 175.453 176.600 0.152 0.000 0.932 222 K CA -0.814 55.499 56.287 0.044 0.000 0.812 222 K CB 1.919 34.372 32.500 -0.078 0.000 1.326 222 K HN 0.325 nan 8.250 nan 0.000 0.433 223 A N 3.276 126.230 122.820 0.223 0.000 2.258 223 A HA 0.545 4.900 4.320 0.058 0.000 0.316 223 A C -2.270 175.494 177.584 0.300 0.000 1.279 223 A CA -1.500 50.709 52.037 0.288 0.000 0.876 223 A CB 0.033 19.217 19.000 0.307 0.000 1.170 223 A HN 0.442 nan 8.150 nan 0.000 0.520 224 P HA 0.217 nan 4.420 nan 0.000 0.274 224 P C -0.071 177.267 177.300 0.063 0.000 1.246 224 P CA -0.139 63.096 63.100 0.226 0.000 0.795 224 P CB 1.278 33.138 31.700 0.268 0.000 1.006 225 S N 0.723 116.202 115.700 -0.369 0.000 2.525 225 S HA 0.208 4.713 4.470 0.058 0.000 0.290 225 S C 1.332 175.615 174.600 -0.529 0.000 1.152 225 S CA -0.899 56.997 58.200 -0.507 0.000 1.072 225 S CB 0.027 62.752 63.200 -0.792 0.000 1.027 225 S HN 0.506 nan 8.310 nan 0.000 0.500 226 I N 4.381 124.411 120.570 -0.900 0.000 2.502 226 I HA -0.157 4.048 4.170 0.058 0.000 0.258 226 I C 1.375 177.294 176.117 -0.330 0.000 1.172 226 I CA 1.221 61.959 61.300 -0.937 0.000 1.430 226 I CB 0.013 37.496 38.000 -0.862 0.000 1.086 226 I HN 0.685 nan 8.210 nan 0.000 0.440 227 M N -0.517 118.963 119.600 -0.200 0.000 2.557 227 M HA -0.115 4.400 4.480 0.058 0.000 0.259 227 M C 1.880 178.154 176.300 -0.043 0.000 1.086 227 M CA 1.158 56.404 55.300 -0.091 0.000 1.096 227 M CB -0.925 31.637 32.600 -0.064 0.000 1.424 227 M HN 0.386 nan 8.290 nan 0.000 0.488 228 Q N 0.072 119.842 119.800 -0.050 0.000 2.297 228 Q HA 0.011 4.386 4.340 0.058 0.000 0.204 228 Q C 0.348 176.358 176.000 0.017 0.000 0.962 228 Q CA 0.379 56.191 55.803 0.014 0.000 0.879 228 Q CB 0.104 28.868 28.738 0.043 0.000 0.947 228 Q HN 0.265 nan 8.270 nan 0.000 0.462 229 V N 4.565 124.480 119.914 0.002 0.000 2.446 229 V HA 0.063 4.218 4.120 0.058 0.000 0.276 229 V C -1.940 174.157 176.094 0.006 0.000 1.030 229 V CA -1.253 61.059 62.300 0.020 0.000 1.033 229 V CB 0.004 31.848 31.823 0.035 0.000 0.993 229 V HN 0.137 nan 8.190 nan 0.000 0.477 230 P HA 0.173 nan 4.420 nan 0.000 0.267 230 P C 0.906 178.206 177.300 0.001 0.000 1.205 230 P CA 0.988 64.091 63.100 0.004 0.000 0.765 230 P CB 1.026 32.729 31.700 0.005 0.000 0.828 231 G N 2.941 111.739 108.800 -0.004 0.000 2.179 231 G HA2 -0.354 3.641 3.960 0.058 0.000 0.260 231 G HA3 -0.354 3.641 3.960 0.058 0.000 0.260 231 G C 1.147 176.044 174.900 -0.004 0.000 0.977 231 G CA 0.561 45.658 45.100 -0.004 0.000 0.641 231 G HN 0.695 nan 8.290 nan 0.000 0.533 232 A N 0.235 123.049 122.820 -0.009 0.000 1.927 232 A HA -0.068 4.287 4.320 0.058 0.000 0.220 232 A C 2.168 179.743 177.584 -0.016 0.000 1.185 232 A CA 2.414 54.444 52.037 -0.013 0.000 0.639 232 A CB -0.457 18.521 19.000 -0.037 0.000 0.820 232 A HN 0.582 nan 8.150 nan 0.000 0.451 233 K N -0.241 120.143 120.400 -0.027 0.000 2.283 233 K HA -0.098 4.257 4.320 0.058 0.000 0.202 233 K C 1.201 177.790 176.600 -0.017 0.000 1.048 233 K CA 1.141 57.408 56.287 -0.033 0.000 0.948 233 K CB -0.111 32.361 32.500 -0.047 0.000 0.742 233 K HN 0.461 nan 8.250 nan 0.000 0.458 234 D N 0.235 120.630 120.400 -0.008 0.000 2.263 234 D HA -0.131 4.544 4.640 0.058 0.000 0.208 234 D C 1.196 177.502 176.300 0.010 0.000 0.971 234 D CA 1.084 55.084 54.000 -0.000 0.000 0.867 234 D CB 0.231 41.032 40.800 0.002 0.000 0.929 234 D HN 0.143 nan 8.370 nan 0.000 0.492 235 I N -1.230 119.350 120.570 0.016 0.000 4.442 235 I HA 0.279 4.484 4.170 0.058 0.000 0.331 235 I C -0.635 175.508 176.117 0.043 0.000 1.364 235 I CA -0.115 61.205 61.300 0.033 0.000 1.207 235 I CB 0.788 38.814 38.000 0.044 0.000 1.298 235 I HN -0.189 nan 8.210 nan 0.000 0.463 236 A N 0.231 123.067 122.820 0.028 0.000 2.549 236 A HA 0.811 5.166 4.320 0.058 0.000 0.297 236 A C -1.275 176.315 177.584 0.010 0.000 1.061 236 A CA -0.170 51.889 52.037 0.037 0.000 0.690 236 A CB 1.515 20.536 19.000 0.035 0.000 1.287 236 A HN 0.352 nan 8.150 nan 0.000 0.402 237 V N -1.317 118.612 119.914 0.026 0.000 3.040 237 V HA 0.923 5.078 4.120 0.058 0.000 0.312 237 V C -0.643 175.449 176.094 -0.003 0.000 1.115 237 V CA -0.655 61.621 62.300 -0.040 0.000 0.998 237 V CB 1.769 33.532 31.823 -0.100 0.000 1.042 237 V HN 1.033 nan 8.190 nan 0.000 0.433 238 E N 1.165 121.316 120.200 -0.083 0.000 2.272 238 E HA 0.631 5.016 4.350 0.058 0.000 0.269 238 E C -2.045 174.487 176.600 -0.114 0.000 0.877 238 E CA -0.673 55.755 56.400 0.045 0.000 0.755 238 E CB 2.189 32.003 29.700 0.191 0.000 1.192 238 E HN 0.672 nan 8.360 nan 0.000 0.422 239 F N 3.353 123.354 119.950 0.085 0.000 2.443 239 F HA 0.510 5.081 4.527 0.073 0.000 0.335 239 F C -0.512 175.296 175.800 0.012 0.000 1.104 239 F CA -0.678 57.337 58.000 0.026 0.000 1.013 239 F CB 1.130 40.113 39.000 -0.028 0.000 1.136 239 F HN 0.347 nan 8.300 nan 0.000 0.470 240 F N 2.282 122.116 119.950 -0.194 0.000 2.547 240 F HA 0.516 5.067 4.527 0.041 0.000 0.316 240 F C -0.451 175.002 175.800 -0.578 0.000 1.121 240 F CA -0.577 57.167 58.000 -0.426 0.000 0.911 240 F CB 1.690 40.292 39.000 -0.663 0.000 1.179 240 F HN 0.380 nan 8.300 nan 0.000 0.443 241 T N 5.448 119.231 114.554 -1.284 0.000 2.895 241 T HA 0.405 4.790 4.350 0.058 0.000 0.283 241 T C 0.520 174.495 174.700 -1.208 0.000 1.014 241 T CA -0.504 61.033 62.100 -0.938 0.000 1.037 241 T CB 1.094 69.636 68.868 -0.542 0.000 1.006 241 T HN 0.575 nan 8.240 nan 0.000 0.468 242 L N 3.375 124.247 121.223 -0.585 0.000 2.554 242 L HA 0.254 4.629 4.340 0.058 0.000 0.226 242 L C 1.799 178.571 176.870 -0.163 0.000 1.137 242 L CA 0.786 55.480 54.840 -0.243 0.000 0.863 242 L CB -1.026 40.932 42.059 -0.167 0.000 0.985 242 L HN 0.678 nan 8.230 nan 0.000 0.451 246 Y N 2.406 122.688 120.300 -0.031 0.000 2.682 246 Y HA 0.440 5.026 4.550 0.060 0.000 0.251 246 Y C 0.379 176.172 175.900 -0.179 0.000 1.172 246 Y CA -0.796 57.244 58.100 -0.100 0.000 1.186 246 Y CB 0.092 38.460 38.460 -0.153 0.000 1.216 246 Y HN 0.099 nan 8.280 nan 0.000 0.540 247 N N 0.883 119.567 118.700 -0.028 0.000 2.714 247 N HA -0.224 4.551 4.740 0.058 0.000 0.252 247 N C -0.323 175.082 175.510 -0.175 0.000 1.014 247 N CA 1.081 54.101 53.050 -0.051 0.000 0.735 247 N CB -1.228 37.241 38.487 -0.030 0.000 0.924 247 N HN 0.508 nan 8.380 nan 0.000 0.540 248 M N -0.404 119.029 119.600 -0.278 0.000 3.076 248 M HA 0.277 4.792 4.480 0.058 0.000 0.296 248 M C 0.445 176.673 176.300 -0.121 0.000 1.185 248 M CA -0.233 54.669 55.300 -0.664 0.000 0.932 248 M CB 0.690 32.757 32.600 -0.888 0.000 1.288 248 M HN 0.226 nan 8.290 nan 0.000 0.536 249 A N 0.164 123.029 122.820 0.074 0.000 2.454 249 A HA 0.570 4.925 4.320 0.058 0.000 0.260 249 A C 1.310 179.044 177.584 0.251 0.000 1.106 249 A CA 0.584 52.698 52.037 0.128 0.000 0.780 249 A CB -0.268 18.787 19.000 0.091 0.000 1.044 249 A HN 0.963 nan 8.150 nan 0.000 0.498 250 G N 1.004 109.903 108.800 0.164 0.000 2.157 250 G HA2 -0.247 3.748 3.960 0.058 0.000 0.248 250 G HA3 -0.247 3.748 3.960 0.058 0.000 0.248 250 G C 0.361 175.316 174.900 0.092 0.000 0.979 250 G CA 0.603 45.763 45.100 0.099 0.000 0.650 250 G HN 0.762 nan 8.290 nan 0.000 0.529 251 W N -0.009 121.238 121.300 -0.088 0.000 3.003 251 W HA 0.454 5.143 4.660 0.049 0.000 0.257 251 W C 1.665 178.096 176.519 -0.147 0.000 1.308 251 W CA 0.245 57.531 57.345 -0.099 0.000 1.529 251 W CB 0.276 29.688 29.460 -0.079 0.000 1.115 251 W HN 0.343 nan 8.180 nan 0.000 0.659 252 R N 0.465 120.991 120.500 0.042 0.000 3.261 252 R HA -0.229 4.146 4.340 0.058 0.000 0.257 252 R C -1.189 175.061 176.300 -0.084 0.000 1.014 252 R CA 0.469 56.515 56.100 -0.090 0.000 0.681 252 R CB -1.802 28.367 30.300 -0.219 0.000 1.155 252 R HN 0.140 nan 8.270 nan 0.000 0.424 253 I N -0.586 119.971 120.570 -0.022 0.000 2.722 253 I HA 0.707 4.912 4.170 0.058 0.000 0.292 253 I C 0.121 176.204 176.117 -0.057 0.000 1.267 253 I CA 0.405 61.698 61.300 -0.011 0.000 1.036 253 I CB 2.161 40.194 38.000 0.055 0.000 1.281 253 I HN 0.238 nan 8.210 nan 0.000 0.423 254 G N 4.882 113.669 108.800 -0.022 0.000 2.588 254 G HA2 0.699 4.694 3.960 0.058 0.000 0.281 254 G HA3 0.699 4.694 3.960 0.058 0.000 0.281 254 G C -1.596 173.369 174.900 0.109 0.000 1.223 254 G CA -0.044 44.980 45.100 -0.126 0.000 0.871 254 G HN 0.866 nan 8.290 nan 0.000 0.492 255 F N -2.502 117.479 119.950 0.053 0.000 2.773 255 F HA 0.828 5.357 4.527 0.003 0.000 0.314 255 F C -0.926 174.886 175.800 0.020 0.000 1.160 255 F CA -1.395 56.634 58.000 0.048 0.000 0.920 255 F CB 1.952 40.968 39.000 0.026 0.000 1.323 255 F HN 0.641 nan 8.300 nan 0.000 0.457 256 M N 3.084 122.794 119.600 0.183 0.000 2.464 256 M HA 0.791 5.306 4.480 0.058 0.000 0.308 256 M C -1.768 174.508 176.300 -0.038 0.000 1.127 256 M CA -0.928 54.254 55.300 -0.197 0.000 0.913 256 M CB 2.225 34.489 32.600 -0.560 0.000 1.689 256 M HN 0.976 nan 8.290 nan 0.000 0.445 257 V N 1.748 121.606 119.914 -0.094 0.000 3.078 257 V HA 1.100 5.255 4.120 0.058 0.000 0.311 257 V C -0.312 175.681 176.094 -0.168 0.000 1.138 257 V CA 0.591 62.815 62.300 -0.126 0.000 1.007 257 V CB 1.434 33.125 31.823 -0.219 0.000 1.045 257 V HN 1.166 nan 8.190 nan 0.000 0.432 258 G N 1.999 110.704 108.800 -0.159 0.000 2.253 258 G HA2 -0.124 3.871 3.960 0.058 0.000 0.190 258 G HA3 -0.124 3.871 3.960 0.058 0.000 0.190 258 G C -0.173 174.677 174.900 -0.084 0.000 1.274 258 G CA -0.073 44.953 45.100 -0.125 0.000 1.275 258 G HN 1.346 nan 8.290 nan 0.000 0.518 259 N N 2.408 121.074 118.700 -0.056 0.000 2.301 259 N HA 0.091 4.866 4.740 0.058 0.000 0.267 259 N C -1.237 174.254 175.510 -0.033 0.000 1.304 259 N CA 0.070 53.100 53.050 -0.033 0.000 0.851 259 N CB 1.339 39.819 38.487 -0.012 0.000 1.070 259 N HN 0.065 nan 8.380 nan 0.000 0.483 260 P HA -0.046 nan 4.420 nan 0.000 0.221 260 P C 0.400 177.692 177.300 -0.012 0.000 1.150 260 P CA 1.169 64.254 63.100 -0.024 0.000 0.800 260 P CB 0.391 32.078 31.700 -0.022 0.000 0.787 261 E N -0.652 119.545 120.200 -0.004 0.000 2.076 261 E HA -0.023 4.362 4.350 0.058 0.000 0.190 261 E C 1.962 178.570 176.600 0.013 0.000 0.979 261 E CA 0.766 57.169 56.400 0.006 0.000 0.807 261 E CB -0.906 28.799 29.700 0.009 0.000 0.761 261 E HN 0.167 nan 8.360 nan 0.000 0.454 262 L N 0.265 121.496 121.223 0.014 0.000 2.201 262 L HA -0.119 4.256 4.340 0.058 0.000 0.212 262 L C 2.109 178.992 176.870 0.021 0.000 1.105 262 L CA 0.563 55.418 54.840 0.026 0.000 0.775 262 L CB -0.289 41.787 42.059 0.029 0.000 0.913 262 L HN 0.097 nan 8.230 nan 0.000 0.440 263 V N -1.044 118.869 119.914 -0.001 0.000 2.379 263 V HA -0.214 3.941 4.120 0.058 0.000 0.245 263 V C 2.544 178.644 176.094 0.011 0.000 1.044 263 V CA 1.764 64.061 62.300 -0.006 0.000 1.036 263 V CB 0.004 31.810 31.823 -0.028 0.000 0.664 263 V HN 0.356 nan 8.190 nan 0.000 0.453 264 S N 0.235 115.940 115.700 0.008 0.000 2.368 264 S HA -0.160 4.345 4.470 0.058 0.000 0.225 264 S C 2.240 176.854 174.600 0.023 0.000 1.030 264 S CA 1.369 59.575 58.200 0.010 0.000 0.999 264 S CB -0.477 62.726 63.200 0.006 0.000 0.844 264 S HN 0.640 nan 8.310 nan 0.000 0.459 265 A N 1.362 124.202 122.820 0.033 0.000 1.908 265 A HA -0.109 4.246 4.320 0.058 0.000 0.218 265 A C 2.097 179.719 177.584 0.062 0.000 1.181 265 A CA 1.495 53.560 52.037 0.047 0.000 0.627 265 A CB -0.726 18.304 19.000 0.050 0.000 0.818 265 A HN 0.425 nan 8.150 nan 0.000 0.445 266 L N -0.479 120.788 121.223 0.074 0.000 2.093 266 L HA 0.013 4.388 4.340 0.058 0.000 0.208 266 L C 2.647 179.569 176.870 0.086 0.000 1.085 266 L CA 1.949 56.853 54.840 0.108 0.000 0.755 266 L CB -0.879 41.256 42.059 0.126 0.000 0.904 266 L HN 0.353 nan 8.230 nan 0.000 0.435 267 A N -0.381 122.469 122.820 0.049 0.000 1.898 267 A HA -0.195 4.160 4.320 0.058 0.000 0.216 267 A C 2.408 179.985 177.584 -0.011 0.000 1.181 267 A CA 1.644 53.694 52.037 0.022 0.000 0.620 267 A CB -0.456 18.546 19.000 0.005 0.000 0.819 267 A HN 0.481 nan 8.150 nan 0.000 0.442 268 R N -0.940 119.555 120.500 -0.008 0.000 2.075 268 R HA -0.006 4.369 4.340 0.058 0.000 0.232 268 R C 2.122 178.416 176.300 -0.010 0.000 1.126 268 R CA 1.490 57.564 56.100 -0.042 0.000 0.963 268 R CB -0.492 29.837 30.300 0.049 0.000 0.858 268 R HN 0.618 nan 8.270 nan 0.000 0.435 269 I N 1.196 121.798 120.570 0.054 0.000 2.394 269 I HA -0.239 3.966 4.170 0.058 0.000 0.251 269 I C 2.126 178.215 176.117 -0.047 0.000 1.136 269 I CA 1.398 62.710 61.300 0.020 0.000 1.425 269 I CB 0.067 38.039 38.000 -0.046 0.000 1.079 269 I HN 0.026 nan 8.210 nan 0.000 0.425 270 K N 0.224 120.639 120.400 0.025 0.000 2.057 270 K HA -0.151 4.204 4.320 0.058 0.000 0.207 270 K C 2.136 178.726 176.600 -0.016 0.000 1.049 270 K CA 1.818 58.136 56.287 0.053 0.000 0.931 270 K CB -0.017 32.537 32.500 0.090 0.000 0.714 270 K HN 0.346 nan 8.250 nan 0.000 0.440 271 S N 0.061 115.695 115.700 -0.111 0.000 2.359 271 S HA -0.181 4.324 4.470 0.058 0.000 0.224 271 S C 1.812 176.294 174.600 -0.196 0.000 1.035 271 S CA 1.479 59.550 58.200 -0.214 0.000 1.018 271 S CB -0.505 62.443 63.200 -0.419 0.000 0.876 271 S HN 0.282 nan 8.310 nan 0.000 0.448 272 Y N 0.965 121.229 120.300 -0.060 0.000 2.200 272 Y HA -0.050 4.538 4.550 0.063 0.000 0.290 272 Y C 2.501 178.380 175.900 -0.034 0.000 1.137 272 Y CA 0.958 59.013 58.100 -0.074 0.000 1.163 272 Y CB -0.962 37.413 38.460 -0.142 0.000 0.988 272 Y HN 0.421 nan 8.280 nan 0.000 0.518 273 H N -0.952 118.125 119.070 0.013 0.000 2.353 273 H HA -0.149 4.439 4.556 0.052 0.000 0.300 273 H C 0.618 175.960 175.328 0.023 0.000 1.090 273 H CA 0.854 56.832 56.048 -0.117 0.000 1.327 273 H CB -0.034 29.341 29.762 -0.645 0.000 1.383 273 H HN 0.090 nan 8.280 nan 0.000 0.508 274 D N -0.951 119.533 120.400 0.141 0.000 2.697 274 D HA -0.257 4.418 4.640 0.058 0.000 0.235 274 D C 0.234 176.706 176.300 0.288 0.000 1.167 274 D CA 0.492 54.585 54.000 0.155 0.000 0.656 274 D CB -1.607 39.260 40.800 0.112 0.000 1.025 274 D HN 0.589 nan 8.370 nan 0.000 0.419 275 Y N -0.317 120.103 120.300 0.200 0.000 2.352 275 Y HA 0.102 4.689 4.550 0.061 0.000 0.292 275 Y C 2.064 178.099 175.900 0.225 0.000 1.136 275 Y CA 0.164 58.395 58.100 0.219 0.000 1.227 275 Y CB 0.336 38.956 38.460 0.266 0.000 0.991 275 Y HN 0.465 nan 8.280 nan 0.000 0.545 276 G N -1.246 107.728 108.800 0.291 0.000 2.321 276 G HA2 -0.064 3.931 3.960 0.058 0.000 0.339 276 G HA3 -0.064 3.931 3.960 0.058 0.000 0.339 276 G C -0.051 174.810 174.900 -0.065 0.000 1.518 276 G CA -0.310 44.679 45.100 -0.185 0.000 0.994 276 G HN -0.084 nan 8.290 nan 0.000 0.668 277 T N 0.364 114.792 114.554 -0.209 0.000 2.701 277 T HA 0.098 4.483 4.350 0.058 0.000 0.263 277 T C 1.178 175.965 174.700 0.143 0.000 1.040 277 T CA 1.916 64.006 62.100 -0.015 0.000 1.147 277 T CB -0.437 68.398 68.868 -0.054 0.000 0.865 277 T HN 1.295 nan 8.240 nan 0.000 0.426 278 F N 1.288 121.260 119.950 0.037 0.000 2.983 278 F HA -0.235 4.319 4.527 0.046 0.000 0.288 278 F C 1.319 177.140 175.800 0.034 0.000 0.980 278 F CA 0.174 58.192 58.000 0.030 0.000 0.965 278 F CB -2.765 36.257 39.000 0.036 0.000 0.967 278 F HN 0.107 nan 8.300 nan 0.000 0.800 279 T N -0.771 113.852 114.554 0.116 0.000 2.684 279 T HA -0.174 4.211 4.350 0.058 0.000 0.267 279 T C -0.152 174.610 174.700 0.102 0.000 1.036 279 T CA 2.088 64.242 62.100 0.091 0.000 1.148 279 T CB -0.575 68.319 68.868 0.045 0.000 0.863 279 T HN 0.249 nan 8.240 nan 0.000 0.436 280 P HA -0.057 nan 4.420 nan 0.000 0.216 280 P C 1.503 178.880 177.300 0.128 0.000 1.157 280 P CA 1.038 64.194 63.100 0.092 0.000 0.880 280 P CB -0.214 31.529 31.700 0.070 0.000 0.791 281 L N -1.252 120.068 121.223 0.162 0.000 2.141 281 L HA -0.170 4.205 4.340 0.058 0.000 0.209 281 L C 2.679 179.648 176.870 0.166 0.000 1.094 281 L CA 1.424 56.380 54.840 0.193 0.000 0.763 281 L CB -0.825 41.336 42.059 0.169 0.000 0.908 281 L HN 0.014 nan 8.230 nan 0.000 0.437 282 Q N -0.697 119.189 119.800 0.144 0.000 2.079 282 Q HA -0.160 4.215 4.340 0.058 0.000 0.200 282 Q C 2.393 178.440 176.000 0.079 0.000 0.974 282 Q CA 1.405 57.272 55.803 0.107 0.000 0.840 282 Q CB -0.128 28.671 28.738 0.101 0.000 0.898 282 Q HN 0.349 nan 8.270 nan 0.000 0.430 283 V N 1.173 121.136 119.914 0.082 0.000 2.287 283 V HA -0.319 3.836 4.120 0.058 0.000 0.248 283 V C 2.329 178.462 176.094 0.064 0.000 1.053 283 V CA 1.968 64.308 62.300 0.067 0.000 1.027 283 V CB -1.053 30.810 31.823 0.066 0.000 0.646 283 V HN 0.405 nan 8.190 nan 0.000 0.447 284 A N -0.051 122.826 122.820 0.094 0.000 1.908 284 A HA -0.163 4.192 4.320 0.058 0.000 0.218 284 A C 2.432 180.007 177.584 -0.015 0.000 1.181 284 A CA 2.236 54.321 52.037 0.080 0.000 0.627 284 A CB -0.837 18.305 19.000 0.237 0.000 0.818 284 A HN 0.609 nan 8.150 nan 0.000 0.445 285 A N -0.096 122.727 122.820 0.004 0.000 1.940 285 A HA -0.109 4.246 4.320 0.058 0.000 0.219 285 A C 2.104 179.647 177.584 -0.067 0.000 1.176 285 A CA 1.560 53.563 52.037 -0.057 0.000 0.631 285 A CB -0.622 18.388 19.000 0.017 0.000 0.814 285 A HN 0.524 nan 8.150 nan 0.000 0.446 286 I N -0.276 120.286 120.570 -0.013 0.000 2.226 286 I HA -0.291 3.914 4.170 0.058 0.000 0.245 286 I C 2.969 179.087 176.117 0.003 0.000 1.100 286 I CA 1.044 62.344 61.300 0.000 0.000 1.374 286 I CB -0.362 37.653 38.000 0.024 0.000 1.057 286 I HN 0.359 nan 8.210 nan 0.000 0.413 287 A N 0.803 123.627 122.820 0.006 0.000 1.908 287 A HA -0.202 4.153 4.320 0.058 0.000 0.218 287 A C 2.553 180.158 177.584 0.036 0.000 1.181 287 A CA 1.969 54.038 52.037 0.054 0.000 0.627 287 A CB -0.847 18.188 19.000 0.059 0.000 0.818 287 A HN 0.443 nan 8.150 nan 0.000 0.445 288 A N -0.178 122.541 122.820 -0.169 0.000 1.858 288 A HA -0.075 4.280 4.320 0.058 0.000 0.216 288 A C 2.183 179.626 177.584 -0.235 0.000 1.190 288 A CA 1.628 53.411 52.037 -0.425 0.000 0.617 288 A CB -0.672 17.723 19.000 -1.008 0.000 0.827 288 A HN 0.481 nan 8.150 nan 0.000 0.443 289 L N -0.919 120.216 121.223 -0.146 0.000 2.109 289 L HA -0.136 4.239 4.340 0.058 0.000 0.207 289 L C 2.368 179.330 176.870 0.153 0.000 1.086 289 L CA 1.500 56.377 54.840 0.063 0.000 0.760 289 L CB -0.480 41.597 42.059 0.030 0.000 0.910 289 L HN 0.474 nan 8.230 nan 0.000 0.437 290 E N -0.024 120.237 120.200 0.102 0.000 2.400 290 E HA 0.085 4.470 4.350 0.058 0.000 0.195 290 E C 1.283 177.932 176.600 0.083 0.000 1.012 290 E CA 0.166 56.624 56.400 0.097 0.000 0.875 290 E CB 0.136 29.880 29.700 0.073 0.000 0.859 290 E HN 0.424 nan 8.360 nan 0.000 0.498 291 G N 1.473 110.337 108.800 0.107 0.000 2.611 291 G HA2 -0.043 3.952 3.960 0.058 0.000 0.273 291 G HA3 -0.043 3.952 3.960 0.058 0.000 0.273 291 G C -0.339 174.570 174.900 0.016 0.000 1.305 291 G CA -0.501 44.623 45.100 0.040 0.000 1.010 291 G HN -0.029 nan 8.290 nan 0.000 0.509 292 D N -0.867 119.461 120.400 -0.120 0.000 2.458 292 D HA 0.076 4.751 4.640 0.058 0.000 0.243 292 D C 1.055 177.392 176.300 0.062 0.000 1.146 292 D CA 0.019 53.989 54.000 -0.051 0.000 0.877 292 D CB 0.887 41.621 40.800 -0.110 0.000 1.176 292 D HN 0.125 nan 8.370 nan 0.000 0.461 293 Q N 2.486 122.336 119.800 0.084 0.000 2.319 293 Q HA -0.038 4.337 4.340 0.058 0.000 0.202 293 Q C 1.087 177.128 176.000 0.069 0.000 0.896 293 Q CA 0.085 55.963 55.803 0.126 0.000 0.942 293 Q CB 0.459 29.262 28.738 0.108 0.000 1.083 293 Q HN 0.550 nan 8.270 nan 0.000 0.510 294 Q N 0.845 120.672 119.800 0.046 0.000 2.124 294 Q HA -0.142 4.233 4.340 0.058 0.000 0.202 294 Q C 2.141 178.162 176.000 0.035 0.000 0.977 294 Q CA 1.947 57.766 55.803 0.027 0.000 0.850 294 Q CB -0.549 28.197 28.738 0.014 0.000 0.901 294 Q HN 0.567 nan 8.270 nan 0.000 0.429 295 C N -2.323 117.019 119.300 0.070 0.000 2.411 295 C HA -0.030 4.465 4.460 0.058 0.000 0.279 295 C C 2.361 177.360 174.990 0.015 0.000 1.288 295 C CA 0.486 59.547 59.018 0.072 0.000 1.764 295 C CB -1.337 26.502 27.740 0.164 0.000 1.974 295 C HN 0.302 nan 8.230 nan 0.000 0.498 296 V N 1.554 121.458 119.914 -0.017 0.000 2.270 296 V HA -0.180 3.975 4.120 0.058 0.000 0.245 296 V C 3.124 179.192 176.094 -0.044 0.000 1.043 296 V CA 2.379 64.609 62.300 -0.117 0.000 1.014 296 V CB -0.771 30.937 31.823 -0.191 0.000 0.645 296 V HN 0.505 nan 8.190 nan 0.000 0.447 297 R N -0.016 120.476 120.500 -0.013 0.000 2.117 297 R HA -0.218 4.157 4.340 0.058 0.000 0.243 297 R C 2.019 178.326 176.300 0.011 0.000 1.143 297 R CA 1.958 58.062 56.100 0.006 0.000 0.968 297 R CB -0.570 29.735 30.300 0.007 0.000 0.863 297 R HN 0.540 nan 8.270 nan 0.000 0.444 298 D N 0.436 120.835 120.400 -0.001 0.000 2.117 298 D HA -0.107 4.568 4.640 0.058 0.000 0.197 298 D C 1.877 178.152 176.300 -0.040 0.000 0.987 298 D CA 0.990 54.981 54.000 -0.014 0.000 0.829 298 D CB -0.141 40.652 40.800 -0.013 0.000 0.961 298 D HN 0.213 nan 8.370 nan 0.000 0.460 299 I N 0.856 121.398 120.570 -0.048 0.000 2.202 299 I HA -0.251 3.954 4.170 0.058 0.000 0.242 299 I C 2.411 178.512 176.117 -0.027 0.000 1.091 299 I CA 1.008 62.250 61.300 -0.097 0.000 1.368 299 I CB -0.189 37.771 38.000 -0.068 0.000 1.058 299 I HN -0.062 nan 8.210 nan 0.000 0.410 300 A N 0.724 123.598 122.820 0.090 0.000 1.883 300 A HA -0.276 4.079 4.320 0.058 0.000 0.217 300 A C 2.392 180.117 177.584 0.234 0.000 1.186 300 A CA 2.016 54.183 52.037 0.216 0.000 0.624 300 A CB -0.703 18.375 19.000 0.130 0.000 0.822 300 A HN 0.338 nan 8.150 nan 0.000 0.444 301 R N -0.409 120.157 120.500 0.110 0.000 2.091 301 R HA -0.228 4.147 4.340 0.058 0.000 0.238 301 R C 2.478 178.790 176.300 0.020 0.000 1.136 301 R CA 1.985 58.128 56.100 0.072 0.000 0.959 301 R CB -0.348 29.968 30.300 0.027 0.000 0.856 301 R HN 0.764 nan 8.270 nan 0.000 0.437 302 Q N -0.819 118.952 119.800 -0.048 0.000 2.084 302 Q HA -0.226 4.149 4.340 0.058 0.000 0.202 302 Q C 1.495 177.433 176.000 -0.103 0.000 0.978 302 Q CA 1.701 57.428 55.803 -0.128 0.000 0.844 302 Q CB -0.176 28.416 28.738 -0.243 0.000 0.898 302 Q HN 0.452 nan 8.270 nan 0.000 0.426 303 Y N 0.892 121.207 120.300 0.025 0.000 2.224 303 Y HA -0.185 4.399 4.550 0.057 0.000 0.289 303 Y C 2.420 178.231 175.900 -0.147 0.000 1.146 303 Y CA 1.519 59.627 58.100 0.013 0.000 1.182 303 Y CB -0.495 38.050 38.460 0.142 0.000 0.983 303 Y HN 0.300 nan 8.280 nan 0.000 0.524 304 Q N -0.021 119.767 119.800 -0.019 0.000 2.167 304 Q HA -0.238 4.137 4.340 0.058 0.000 0.202 304 Q C 1.950 177.803 176.000 -0.245 0.000 0.970 304 Q CA 1.557 57.116 55.803 -0.406 0.000 0.855 304 Q CB 0.012 28.675 28.738 -0.125 0.000 0.911 304 Q HN 0.576 nan 8.270 nan 0.000 0.438 305 Q N -0.456 119.274 119.800 -0.117 0.000 2.083 305 Q HA -0.103 4.272 4.340 0.058 0.000 0.198 305 Q C 2.081 178.019 176.000 -0.104 0.000 0.969 305 Q CA 1.113 56.857 55.803 -0.098 0.000 0.838 305 Q CB 0.088 28.786 28.738 -0.066 0.000 0.900 305 Q HN 0.268 nan 8.270 nan 0.000 0.436 306 R N 0.308 120.758 120.500 -0.084 0.000 2.096 306 R HA -0.096 4.279 4.340 0.058 0.000 0.235 306 R C 2.361 178.590 176.300 -0.117 0.000 1.127 306 R CA 1.130 57.188 56.100 -0.070 0.000 0.968 306 R CB -0.243 30.052 30.300 -0.008 0.000 0.861 306 R HN 0.146 nan 8.270 nan 0.000 0.440 307 R N 1.154 121.550 120.500 -0.174 0.000 2.073 307 R HA -0.167 4.208 4.340 0.058 0.000 0.234 307 R C 1.097 177.266 176.300 -0.219 0.000 1.134 307 R CA 2.103 58.058 56.100 -0.241 0.000 0.952 307 R CB -0.202 29.854 30.300 -0.406 0.000 0.850 307 R HN 0.131 nan 8.270 nan 0.000 0.433 308 D N 0.053 120.331 120.400 -0.204 0.000 2.149 308 D HA -0.139 4.536 4.640 0.058 0.000 0.198 308 D C 1.915 178.136 176.300 -0.130 0.000 0.990 308 D CA 1.184 55.092 54.000 -0.153 0.000 0.839 308 D CB -0.124 40.601 40.800 -0.124 0.000 0.948 308 D HN 0.121 nan 8.370 nan 0.000 0.460 309 V N 0.536 120.376 119.914 -0.123 0.000 2.453 309 V HA -0.139 4.016 4.120 0.058 0.000 0.247 309 V C 2.269 178.282 176.094 -0.134 0.000 1.048 309 V CA 0.794 63.030 62.300 -0.107 0.000 1.049 309 V CB -0.230 31.541 31.823 -0.085 0.000 0.672 309 V HN 0.124 nan 8.190 nan 0.000 0.457 310 L N -0.293 120.824 121.223 -0.176 0.000 2.044 310 L HA -0.029 4.346 4.340 0.058 0.000 0.205 310 L C 2.325 179.020 176.870 -0.292 0.000 1.075 310 L CA 1.784 56.471 54.840 -0.255 0.000 0.747 310 L CB -0.374 41.492 42.059 -0.321 0.000 0.903 310 L HN 0.103 nan 8.230 nan 0.000 0.435 311 V N -0.145 119.615 119.914 -0.256 0.000 2.261 311 V HA -0.298 3.857 4.120 0.058 0.000 0.246 311 V C 2.587 178.588 176.094 -0.155 0.000 1.047 311 V CA 2.094 64.258 62.300 -0.227 0.000 1.015 311 V CB -0.677 31.040 31.823 -0.177 0.000 0.642 311 V HN 0.422 nan 8.190 nan 0.000 0.446 312 K N 0.155 120.482 120.400 -0.121 0.000 2.057 312 K HA -0.126 4.229 4.320 0.058 0.000 0.207 312 K C 2.264 178.824 176.600 -0.067 0.000 1.049 312 K CA 1.519 57.760 56.287 -0.078 0.000 0.931 312 K CB -0.727 31.733 32.500 -0.066 0.000 0.714 312 K HN 0.557 nan 8.250 nan 0.000 0.440 313 G N 1.409 110.155 108.800 -0.089 0.000 2.446 313 G HA2 -0.238 3.757 3.960 0.058 0.000 0.217 313 G HA3 -0.238 3.757 3.960 0.058 0.000 0.217 313 G C 1.491 176.357 174.900 -0.057 0.000 1.168 313 G CA 0.644 45.700 45.100 -0.072 0.000 0.771 313 G HN 0.099 nan 8.290 nan 0.000 0.551 314 L N -0.389 120.771 121.223 -0.106 0.000 2.046 314 L HA -0.040 4.335 4.340 0.058 0.000 0.208 314 L C 3.184 180.106 176.870 0.087 0.000 1.077 314 L CA 1.040 55.854 54.840 -0.044 0.000 0.747 314 L CB -0.331 41.572 42.059 -0.260 0.000 0.896 314 L HN 0.148 nan 8.230 nan 0.000 0.432 315 R N -0.020 120.494 120.500 0.024 0.000 2.096 315 R HA -0.173 4.202 4.340 0.058 0.000 0.235 315 R C 2.149 178.500 176.300 0.085 0.000 1.127 315 R CA 1.302 57.443 56.100 0.068 0.000 0.968 315 R CB -0.216 30.094 30.300 0.017 0.000 0.861 315 R HN 0.412 nan 8.270 nan 0.000 0.440 316 E N 0.079 120.311 120.200 0.053 0.000 2.153 316 E HA -0.157 4.228 4.350 0.058 0.000 0.194 316 E C 1.695 178.352 176.600 0.095 0.000 0.988 316 E CA 1.107 57.540 56.400 0.055 0.000 0.811 316 E CB 0.016 29.731 29.700 0.025 0.000 0.746 316 E HN 0.375 nan 8.360 nan 0.000 0.466 317 A N -0.241 122.657 122.820 0.130 0.000 2.169 317 A HA 0.225 4.580 4.320 0.058 0.000 0.212 317 A C 1.726 179.531 177.584 0.368 0.000 1.153 317 A CA 0.929 53.089 52.037 0.205 0.000 0.756 317 A CB 0.001 19.067 19.000 0.110 0.000 0.813 317 A HN 0.341 nan 8.150 nan 0.000 0.471 318 G N -3.194 105.793 108.800 0.311 0.000 2.163 318 G HA2 -0.223 3.772 3.960 0.058 0.000 0.213 318 G HA3 -0.223 3.772 3.960 0.058 0.000 0.213 318 G C -0.252 174.869 174.900 0.369 0.000 0.991 318 G CA 0.075 45.341 45.100 0.277 0.000 0.653 318 G HN 0.663 nan 8.290 nan 0.000 0.518 319 W N 3.044 124.513 121.300 0.282 0.000 2.317 319 W HA 0.741 5.436 4.660 0.059 0.000 0.327 319 W C 0.222 176.812 176.519 0.118 0.000 1.036 319 W CA -1.876 55.617 57.345 0.245 0.000 1.419 319 W CB 0.013 29.725 29.460 0.419 0.000 1.253 319 W HN 0.046 nan 8.180 nan 0.000 0.392 320 M N 8.245 128.069 119.600 0.373 0.000 3.690 320 M HA 0.033 4.549 4.480 0.058 0.000 0.209 320 M C 0.389 176.739 176.300 0.084 0.000 1.403 320 M CA -0.415 54.979 55.300 0.158 0.000 1.621 320 M CB -1.614 31.059 32.600 0.121 0.000 1.056 320 M HN 0.167 nan 8.290 nan 0.000 0.593 321 V N -0.261 119.614 119.914 -0.066 0.000 2.999 321 V HA 0.089 4.244 4.120 0.058 0.000 0.307 321 V C 0.549 176.611 176.094 -0.053 0.000 1.084 321 V CA -0.603 61.614 62.300 -0.139 0.000 1.155 321 V CB 0.124 31.718 31.823 -0.382 0.000 0.975 321 V HN 0.592 nan 8.190 nan 0.000 0.490 322 E N 2.172 122.373 120.200 0.001 0.000 2.384 322 E HA 0.128 4.513 4.350 0.058 0.000 0.266 322 E C -0.169 176.420 176.600 -0.019 0.000 1.012 322 E CA -0.169 56.243 56.400 0.019 0.000 0.901 322 E CB 0.294 30.042 29.700 0.081 0.000 0.967 322 E HN 0.752 nan 8.360 nan 0.000 0.435 323 N N 4.122 122.801 118.700 -0.034 0.000 2.401 323 N HA 0.114 4.889 4.740 0.058 0.000 0.255 323 N C -2.374 173.109 175.510 -0.045 0.000 1.110 323 N CA -1.647 51.368 53.050 -0.057 0.000 0.949 323 N CB 0.501 38.954 38.487 -0.057 0.000 1.110 323 N HN 0.193 nan 8.380 nan 0.000 0.490 324 P HA 0.118 nan 4.420 nan 0.000 0.271 324 P C -0.331 176.999 177.300 0.050 0.000 1.218 324 P CA 0.010 63.110 63.100 0.000 0.000 0.780 324 P CB 1.055 32.786 31.700 0.051 0.000 0.901 325 K N 0.494 120.844 120.400 -0.083 0.000 2.367 325 K HA 0.470 4.825 4.320 0.058 0.000 0.194 325 K C 0.534 177.021 176.600 -0.188 0.000 1.027 325 K CA 0.087 56.275 56.287 -0.164 0.000 1.075 325 K CB 0.584 32.663 32.500 -0.701 0.000 0.845 325 K HN 0.617 nan 8.250 nan 0.000 0.529 326 A N 0.772 123.461 122.820 -0.219 0.000 2.544 326 A HA 0.512 4.867 4.320 0.058 0.000 0.291 326 A C -1.138 176.255 177.584 -0.319 0.000 1.055 326 A CA -0.143 51.621 52.037 -0.455 0.000 0.651 326 A CB 0.709 19.551 19.000 -0.263 0.000 1.296 326 A HN 0.361 nan 8.150 nan 0.000 0.431 327 S N -1.303 114.153 115.700 -0.406 0.000 3.327 327 S HA -0.124 4.381 4.470 0.058 0.000 0.844 327 S C 0.408 174.638 174.600 -0.617 0.000 1.110 327 S CA 0.886 58.710 58.200 -0.626 0.000 1.105 327 S CB -1.632 61.215 63.200 -0.589 0.000 0.752 327 S HN 1.764 nan 8.310 nan 0.000 0.279 328 M N 1.357 120.308 119.600 -1.083 0.000 2.748 328 M HA 0.110 4.625 4.480 0.058 0.000 0.241 328 M C -0.317 175.357 176.300 -1.043 0.000 1.080 328 M CA 1.011 55.602 55.300 -1.181 0.000 1.068 328 M CB -0.610 31.185 32.600 -1.341 0.000 1.536 328 M HN 0.550 nan 8.290 nan 0.000 0.540 329 Y N -1.578 118.579 120.300 -0.239 0.000 2.446 329 Y HA 0.555 5.139 4.550 0.056 0.000 0.345 329 Y C -0.228 175.650 175.900 -0.037 0.000 0.984 329 Y CA -1.428 56.597 58.100 -0.126 0.000 1.058 329 Y CB 1.153 39.494 38.460 -0.199 0.000 1.220 329 Y HN -0.389 nan 8.280 nan 0.000 0.455 330 V N 2.725 122.764 119.914 0.208 0.000 2.398 330 V HA 0.154 4.309 4.120 0.058 0.000 0.286 330 V C -0.918 175.392 176.094 0.359 0.000 1.026 330 V CA -0.944 61.457 62.300 0.168 0.000 0.868 330 V CB 1.387 33.189 31.823 -0.034 0.000 0.982 330 V HN 0.866 nan 8.190 nan 0.000 0.443 331 W N 6.173 127.514 121.300 0.069 0.000 2.282 331 W HA 0.706 5.403 4.660 0.062 0.000 0.322 331 W C -0.389 176.272 176.519 0.237 0.000 1.011 331 W CA -0.901 56.502 57.345 0.097 0.000 1.392 331 W CB 1.321 30.752 29.460 -0.049 0.000 1.215 331 W HN 0.633 nan 8.180 nan 0.000 0.394 332 A N 5.977 128.860 122.820 0.105 0.000 2.258 332 A HA 0.294 4.649 4.320 0.058 0.000 0.316 332 A C -0.358 177.275 177.584 0.081 0.000 1.279 332 A CA -0.668 51.428 52.037 0.097 0.000 0.876 332 A CB 0.803 19.852 19.000 0.081 0.000 1.170 332 A HN 0.682 nan 8.150 nan 0.000 0.520 333 K N 3.105 123.475 120.400 -0.051 0.000 2.412 333 K HA 0.254 4.609 4.320 0.058 0.000 0.281 333 K C -0.413 176.177 176.600 -0.016 0.000 1.027 333 K CA -0.077 55.952 56.287 -0.431 0.000 0.989 333 K CB 0.146 32.433 32.500 -0.356 0.000 0.935 333 K HN 0.662 nan 8.250 nan 0.000 0.475 334 I N 7.407 127.836 120.570 -0.235 0.000 2.618 334 I HA 0.012 4.217 4.170 0.058 0.000 0.284 334 I C -1.864 174.007 176.117 -0.411 0.000 1.146 334 I CA -1.803 59.261 61.300 -0.392 0.000 1.425 334 I CB 0.542 38.225 38.000 -0.528 0.000 1.383 334 I HN 0.530 nan 8.210 nan 0.000 0.562 335 P HA 0.030 nan 4.420 nan 0.000 0.269 335 P C 0.444 177.544 177.300 -0.334 0.000 1.209 335 P CA -0.171 62.678 63.100 -0.418 0.000 0.776 335 P CB 0.579 31.945 31.700 -0.556 0.000 0.876 336 E N 2.720 122.770 120.200 -0.250 0.000 2.147 336 E HA -0.216 4.169 4.350 0.058 0.000 0.199 336 E C -0.744 175.714 176.600 -0.236 0.000 1.005 336 E CA 1.801 58.078 56.400 -0.205 0.000 0.810 336 E CB -1.275 28.331 29.700 -0.158 0.000 0.736 336 E HN 0.528 nan 8.360 nan 0.000 0.460 337 P HA -0.128 nan 4.420 nan 0.000 0.223 337 P C 0.264 177.297 177.300 -0.445 0.000 1.151 337 P CA 1.221 64.043 63.100 -0.463 0.000 0.787 337 P CB 0.010 31.288 31.700 -0.703 0.000 0.788 338 Y N -1.877 118.277 120.300 -0.244 0.000 2.444 338 Y HA 0.353 4.938 4.550 0.059 0.000 0.249 338 Y C 2.335 178.018 175.900 -0.361 0.000 1.134 338 Y CA -0.004 57.906 58.100 -0.316 0.000 1.261 338 Y CB -0.553 37.493 38.460 -0.690 0.000 1.143 338 Y HN -0.145 nan 8.280 nan 0.000 0.523 339 A N 0.964 123.693 122.820 -0.152 0.000 1.958 339 A HA -0.291 4.064 4.320 0.058 0.000 0.221 339 A C 1.992 179.527 177.584 -0.081 0.000 1.178 339 A CA 2.321 54.269 52.037 -0.148 0.000 0.642 339 A CB -1.032 17.900 19.000 -0.113 0.000 0.816 339 A HN 0.695 nan 8.150 nan 0.000 0.453 340 H N -0.758 118.255 119.070 -0.096 0.000 2.524 340 H HA 0.113 4.705 4.556 0.059 0.000 0.282 340 H C 1.616 176.930 175.328 -0.022 0.000 1.016 340 H CA 1.178 57.191 56.048 -0.058 0.000 1.270 340 H CB -0.566 29.159 29.762 -0.062 0.000 1.394 340 H HN 0.472 nan 8.280 nan 0.000 0.568 341 L N 0.540 121.381 121.223 -0.637 0.000 2.313 341 L HA 0.126 4.501 4.340 0.058 0.000 0.214 341 L C 1.156 177.942 176.870 -0.141 0.000 1.119 341 L CA 0.598 55.190 54.840 -0.413 0.000 0.809 341 L CB -0.405 41.491 42.059 -0.272 0.000 0.933 341 L HN 0.580 nan 8.230 nan 0.000 0.449 342 G N -0.200 108.538 108.800 -0.102 0.000 2.787 342 G HA2 -0.277 3.718 3.960 0.058 0.000 0.685 342 G HA3 -0.277 3.718 3.960 0.058 0.000 0.685 342 G C 0.682 175.600 174.900 0.030 0.000 1.437 342 G CA -0.057 45.024 45.100 -0.031 0.000 0.872 342 G HN 0.268 nan 8.290 nan 0.000 0.566 343 S N -0.274 115.463 115.700 0.061 0.000 2.387 343 S HA -0.034 4.471 4.470 0.058 0.000 0.226 343 S C 2.452 177.126 174.600 0.123 0.000 1.026 343 S CA 1.912 60.191 58.200 0.131 0.000 0.972 343 S CB -0.171 63.115 63.200 0.144 0.000 0.814 343 S HN 1.723 nan 8.310 nan 0.000 0.477 344 L N 1.716 122.977 121.223 0.063 0.000 2.056 344 L HA 0.097 4.472 4.340 0.058 0.000 0.207 344 L C 2.445 179.328 176.870 0.022 0.000 1.078 344 L CA 2.013 56.871 54.840 0.030 0.000 0.749 344 L CB -0.734 41.320 42.059 -0.007 0.000 0.901 344 L HN 0.206 nan 8.230 nan 0.000 0.433 345 E N -0.888 119.328 120.200 0.027 0.000 2.150 345 E HA -0.234 4.151 4.350 0.058 0.000 0.193 345 E C 1.971 178.597 176.600 0.044 0.000 0.985 345 E CA 1.327 57.737 56.400 0.017 0.000 0.814 345 E CB -0.402 29.298 29.700 0.000 0.000 0.752 345 E HN 0.594 nan 8.360 nan 0.000 0.466 346 F N -0.197 119.703 119.950 -0.083 0.000 2.259 346 F HA -0.033 4.529 4.527 0.058 0.000 0.298 346 F C 1.941 177.684 175.800 -0.095 0.000 1.088 346 F CA 0.997 58.928 58.000 -0.116 0.000 1.358 346 F CB -0.013 38.911 39.000 -0.127 0.000 1.040 346 F HN 0.107 nan 8.300 nan 0.000 0.505 347 A N 0.609 123.335 122.820 -0.156 0.000 1.898 347 A HA -0.180 4.175 4.320 0.058 0.000 0.216 347 A C 2.206 179.671 177.584 -0.198 0.000 1.181 347 A CA 1.694 53.609 52.037 -0.204 0.000 0.620 347 A CB -0.609 18.371 19.000 -0.034 0.000 0.819 347 A HN 0.399 nan 8.150 nan 0.000 0.442 348 K N -0.352 119.976 120.400 -0.121 0.000 2.032 348 K HA -0.189 4.166 4.320 0.058 0.000 0.209 348 K C 2.234 178.755 176.600 -0.132 0.000 1.048 348 K CA 1.739 57.970 56.287 -0.094 0.000 0.927 348 K CB -0.191 32.278 32.500 -0.052 0.000 0.712 348 K HN 0.490 nan 8.250 nan 0.000 0.441 349 K N 1.334 121.631 120.400 -0.171 0.000 2.032 349 K HA -0.146 4.209 4.320 0.058 0.000 0.209 349 K C 2.118 178.563 176.600 -0.257 0.000 1.048 349 K CA 1.155 57.332 56.287 -0.183 0.000 0.927 349 K CB -0.116 32.283 32.500 -0.168 0.000 0.712 349 K HN 0.040 nan 8.250 nan 0.000 0.441 350 L N 0.657 121.618 121.223 -0.435 0.000 2.042 350 L HA -0.227 4.148 4.340 0.058 0.000 0.210 350 L C 2.459 179.218 176.870 -0.185 0.000 1.076 350 L CA 0.737 55.360 54.840 -0.362 0.000 0.749 350 L CB -0.382 41.403 42.059 -0.456 0.000 0.893 350 L HN 0.278 nan 8.230 nan 0.000 0.432 351 L N -0.610 120.520 121.223 -0.155 0.000 2.027 351 L HA -0.233 4.142 4.340 0.058 0.000 0.206 351 L C 2.567 179.397 176.870 -0.067 0.000 1.074 351 L CA 1.752 56.539 54.840 -0.089 0.000 0.745 351 L CB -0.427 41.591 42.059 -0.069 0.000 0.898 351 L HN 0.233 nan 8.230 nan 0.000 0.433 352 Q N -0.858 118.901 119.800 -0.069 0.000 2.046 352 Q HA -0.189 4.186 4.340 0.058 0.000 0.200 352 Q C 1.682 177.660 176.000 -0.038 0.000 0.975 352 Q CA 1.855 57.632 55.803 -0.044 0.000 0.836 352 Q CB -0.074 28.641 28.738 -0.038 0.000 0.896 352 Q HN 0.530 nan 8.270 nan 0.000 0.428 353 D N -0.494 119.875 120.400 -0.051 0.000 2.201 353 D HA 0.022 4.697 4.640 0.058 0.000 0.209 353 D C 1.276 177.556 176.300 -0.033 0.000 0.961 353 D CA 1.169 55.150 54.000 -0.032 0.000 0.861 353 D CB 0.074 40.861 40.800 -0.023 0.000 0.997 353 D HN 0.211 nan 8.370 nan 0.000 0.486 354 A N -0.039 122.747 122.820 -0.055 0.000 2.197 354 A HA 0.100 4.455 4.320 0.058 0.000 0.210 354 A C 0.383 177.950 177.584 -0.028 0.000 1.180 354 A CA 0.161 52.171 52.037 -0.044 0.000 0.846 354 A CB 0.196 19.163 19.000 -0.055 0.000 0.884 354 A HN -0.046 nan 8.150 nan 0.000 0.487 355 K N -1.060 119.320 120.400 -0.033 0.000 3.218 355 K HA -0.106 4.249 4.320 0.058 0.000 0.276 355 K C -0.668 175.926 176.600 -0.011 0.000 1.173 355 K CA 0.834 57.109 56.287 -0.020 0.000 0.812 355 K CB -2.857 29.636 32.500 -0.011 0.000 1.275 355 K HN 0.368 nan 8.250 nan 0.000 0.504 356 V N 0.618 120.521 119.914 -0.019 0.000 2.531 356 V HA 0.372 4.527 4.120 0.058 0.000 0.301 356 V C 0.188 176.260 176.094 -0.038 0.000 1.034 356 V CA -0.794 61.506 62.300 0.000 0.000 0.865 356 V CB 2.084 33.935 31.823 0.047 0.000 0.995 356 V HN 0.272 nan 8.190 nan 0.000 0.424 357 S N 4.151 119.836 115.700 -0.025 0.000 2.438 357 S HA 0.713 5.218 4.470 0.058 0.000 0.293 357 S C -0.440 174.117 174.600 -0.070 0.000 1.141 357 S CA -0.439 57.736 58.200 -0.041 0.000 1.080 357 S CB 0.856 64.048 63.200 -0.012 0.000 0.978 357 S HN 0.998 nan 8.310 nan 0.000 0.479 358 V N 2.746 122.586 119.914 -0.122 0.000 3.113 358 V HA 0.809 4.964 4.120 0.058 0.000 0.316 358 V C -0.260 175.822 176.094 -0.020 0.000 1.125 358 V CA -0.880 61.312 62.300 -0.180 0.000 1.026 358 V CB 1.724 33.289 31.823 -0.430 0.000 1.080 358 V HN 0.719 nan 8.190 nan 0.000 0.444 359 S N 3.413 119.153 115.700 0.066 0.000 2.457 359 S HA 0.580 5.085 4.470 0.058 0.000 0.289 359 S C -2.635 172.217 174.600 0.420 0.000 1.163 359 S CA -0.950 57.411 58.200 0.268 0.000 1.078 359 S CB 1.082 64.401 63.200 0.198 0.000 0.987 359 S HN 0.872 nan 8.310 nan 0.000 0.482 360 P HA 0.186 nan 4.420 nan 0.000 0.275 360 P C 0.929 178.525 177.300 0.493 0.000 1.227 360 P CA -0.258 63.042 63.100 0.333 0.000 0.781 360 P CB 0.661 32.462 31.700 0.168 0.000 0.906 361 G N 2.629 111.708 108.800 0.465 0.000 2.432 361 G HA2 -0.245 3.750 3.960 0.058 0.000 0.219 361 G HA3 -0.245 3.750 3.960 0.058 0.000 0.219 361 G C 1.339 176.600 174.900 0.603 0.000 1.135 361 G CA 0.090 45.615 45.100 0.707 0.000 0.767 361 G HN 0.554 nan 8.290 nan 0.000 0.550 362 I N 1.179 121.927 120.570 0.296 0.000 2.567 362 I HA -0.063 4.142 4.170 0.058 0.000 0.257 362 I C 2.635 178.755 176.117 0.005 0.000 1.184 362 I CA 1.058 62.447 61.300 0.147 0.000 1.451 362 I CB -0.116 37.911 38.000 0.046 0.000 1.089 362 I HN 0.186 nan 8.210 nan 0.000 0.441 363 G N 0.151 108.842 108.800 -0.181 0.000 2.498 363 G HA2 -0.237 3.758 3.960 0.058 0.000 0.219 363 G HA3 -0.237 3.758 3.960 0.058 0.000 0.219 363 G C 1.065 175.711 174.900 -0.424 0.000 1.119 363 G CA 0.365 45.059 45.100 -0.678 0.000 0.766 363 G HN 0.462 nan 8.290 nan 0.000 0.552 364 F N 0.808 120.869 119.950 0.185 0.000 2.765 364 F HA 0.446 5.007 4.527 0.057 0.000 0.302 364 F C 1.368 177.230 175.800 0.102 0.000 1.111 364 F CA 0.333 58.424 58.000 0.151 0.000 1.359 364 F CB 0.462 39.530 39.000 0.114 0.000 1.097 364 F HN 0.289 nan 8.300 nan 0.000 0.577 365 G N 0.051 108.976 108.800 0.210 0.000 2.402 365 G HA2 -0.135 3.860 3.960 0.058 0.000 0.666 365 G HA3 -0.135 3.860 3.960 0.058 0.000 0.666 365 G C -0.338 174.693 174.900 0.218 0.000 1.402 365 G CA -0.820 44.395 45.100 0.192 0.000 0.920 365 G HN -0.078 nan 8.290 nan 0.000 0.651 366 D N -0.307 120.201 120.400 0.179 0.000 2.182 366 D HA -0.096 4.579 4.640 0.058 0.000 0.201 366 D C 1.792 178.142 176.300 0.083 0.000 0.986 366 D CA 1.546 55.600 54.000 0.091 0.000 0.847 366 D CB 0.003 40.802 40.800 -0.000 0.000 0.942 366 D HN 0.511 nan 8.370 nan 0.000 0.467 367 Y N -0.005 120.382 120.300 0.144 0.000 2.632 367 Y HA 0.112 4.697 4.550 0.059 0.000 0.301 367 Y C 2.218 178.269 175.900 0.251 0.000 1.172 367 Y CA 0.476 58.678 58.100 0.169 0.000 1.328 367 Y CB 0.229 38.777 38.460 0.146 0.000 1.016 367 Y HN -0.042 nan 8.280 nan 0.000 0.529 368 G N -1.640 107.407 108.800 0.411 0.000 3.159 368 G HA2 -0.088 3.907 3.960 0.058 0.000 0.232 368 G HA3 -0.088 3.907 3.960 0.058 0.000 0.232 368 G C 0.891 176.016 174.900 0.375 0.000 1.116 368 G CA -0.006 45.416 45.100 0.537 0.000 0.767 368 G HN 0.224 nan 8.290 nan 0.000 0.547 369 D N 1.762 122.300 120.400 0.231 0.000 2.351 369 D HA -0.108 4.567 4.640 0.058 0.000 0.216 369 D C 1.552 177.905 176.300 0.089 0.000 0.968 369 D CA 1.176 55.257 54.000 0.136 0.000 0.899 369 D CB 0.141 40.977 40.800 0.060 0.000 0.907 369 D HN 0.440 nan 8.370 nan 0.000 0.514 370 D N -1.912 118.551 120.400 0.106 0.000 2.368 370 D HA 0.019 4.694 4.640 0.058 0.000 0.218 370 D C -0.190 175.993 176.300 -0.194 0.000 1.112 370 D CA -0.106 53.877 54.000 -0.028 0.000 0.834 370 D CB -0.339 40.442 40.800 -0.032 0.000 0.953 370 D HN 0.207 nan 8.370 nan 0.000 0.505 371 H N -1.099 117.831 119.070 -0.233 0.000 2.894 371 H HA 0.657 5.249 4.556 0.059 0.000 0.368 371 H C -0.442 174.717 175.328 -0.281 0.000 1.181 371 H CA -1.036 54.706 56.048 -0.510 0.000 1.146 371 H CB 2.209 30.983 29.762 -1.646 0.000 1.839 371 H HN -0.055 nan 8.280 nan 0.000 0.557 372 V N -1.128 118.771 119.914 -0.024 0.000 2.864 372 V HA 0.631 4.786 4.120 0.058 0.000 0.314 372 V C -0.228 175.942 176.094 0.126 0.000 1.073 372 V CA -1.110 61.259 62.300 0.115 0.000 0.956 372 V CB 2.103 34.029 31.823 0.173 0.000 1.023 372 V HN 0.690 nan 8.190 nan 0.000 0.435 373 R N 2.035 122.685 120.500 0.249 0.000 2.295 373 R HA 0.603 4.978 4.340 0.058 0.000 0.324 373 R C -1.586 174.781 176.300 0.113 0.000 0.968 373 R CA -0.507 55.776 56.100 0.304 0.000 0.837 373 R CB 1.102 31.537 30.300 0.225 0.000 1.133 373 R HN 0.772 nan 8.270 nan 0.000 0.450 374 F N 1.891 121.936 119.950 0.159 0.000 2.399 374 F HA 0.518 5.079 4.527 0.058 0.000 0.334 374 F C 0.622 176.523 175.800 0.168 0.000 1.097 374 F CA -0.724 57.343 58.000 0.112 0.000 1.076 374 F CB 1.857 40.870 39.000 0.023 0.000 1.162 374 F HN 0.467 nan 8.300 nan 0.000 0.495 375 A N 3.422 126.439 122.820 0.328 0.000 2.317 375 A HA 0.668 5.023 4.320 0.058 0.000 0.327 375 A C -0.622 177.024 177.584 0.103 0.000 1.178 375 A CA -0.691 51.473 52.037 0.211 0.000 0.817 375 A CB 0.612 19.750 19.000 0.230 0.000 1.189 375 A HN 0.876 nan 8.150 nan 0.000 0.489 376 L N 3.945 125.159 121.223 -0.015 0.000 2.583 376 L HA 0.235 4.610 4.340 0.058 0.000 0.239 376 L C 0.552 177.519 176.870 0.161 0.000 1.347 376 L CA 0.219 55.093 54.840 0.056 0.000 1.246 376 L CB -0.711 41.373 42.059 0.041 0.000 1.496 376 L HN 0.820 nan 8.230 nan 0.000 0.413 377 I N -3.300 117.345 120.570 0.126 0.000 3.936 377 I HA 0.423 4.628 4.170 0.058 0.000 0.330 377 I C 0.182 176.353 176.117 0.089 0.000 1.509 377 I CA -0.257 61.126 61.300 0.138 0.000 1.126 377 I CB 0.571 38.638 38.000 0.111 0.000 1.115 377 I HN 0.204 nan 8.210 nan 0.000 0.424 378 E N 2.073 122.315 120.200 0.071 0.000 2.336 378 E HA 0.384 4.769 4.350 0.058 0.000 0.267 378 E C -0.491 176.123 176.600 0.023 0.000 0.906 378 E CA -0.739 55.687 56.400 0.043 0.000 0.781 378 E CB 1.530 31.257 29.700 0.045 0.000 1.261 378 E HN 0.419 nan 8.360 nan 0.000 0.436 379 N N 0.882 119.586 118.700 0.007 0.000 2.347 379 N HA 0.133 4.908 4.740 0.058 0.000 0.253 379 N C 0.331 175.832 175.510 -0.014 0.000 1.274 379 N CA -0.118 52.926 53.050 -0.010 0.000 0.941 379 N CB 0.573 39.052 38.487 -0.014 0.000 1.200 379 N HN 0.401 nan 8.380 nan 0.000 0.514 380 R N -0.772 119.714 120.500 -0.025 0.000 2.115 380 R HA -0.018 4.357 4.340 0.058 0.000 0.230 380 R C 0.918 177.203 176.300 -0.026 0.000 1.111 380 R CA 1.266 57.348 56.100 -0.031 0.000 0.976 380 R CB -0.335 29.943 30.300 -0.038 0.000 0.870 380 R HN 0.613 nan 8.270 nan 0.000 0.445 381 D N 0.302 120.690 120.400 -0.020 0.000 2.123 381 D HA -0.148 4.527 4.640 0.058 0.000 0.196 381 D C 1.867 178.159 176.300 -0.012 0.000 0.992 381 D CA 1.097 55.087 54.000 -0.016 0.000 0.833 381 D CB -0.032 40.761 40.800 -0.012 0.000 0.954 381 D HN 0.127 nan 8.370 nan 0.000 0.455 382 R N 0.295 120.791 120.500 -0.008 0.000 2.092 382 R HA 0.015 4.390 4.340 0.058 0.000 0.231 382 R C 2.624 178.923 176.300 -0.001 0.000 1.119 382 R CA 0.234 56.334 56.100 -0.000 0.000 0.970 382 R CB -0.735 29.569 30.300 0.007 0.000 0.864 382 R HN 0.302 nan 8.270 nan 0.000 0.440 383 L N 0.247 121.464 121.223 -0.010 0.000 2.093 383 L HA -0.115 4.260 4.340 0.058 0.000 0.208 383 L C 2.703 179.552 176.870 -0.036 0.000 1.085 383 L CA 1.237 56.063 54.840 -0.023 0.000 0.755 383 L CB -0.341 41.692 42.059 -0.042 0.000 0.904 383 L HN 0.117 nan 8.230 nan 0.000 0.435 384 R N -0.417 120.063 120.500 -0.033 0.000 2.091 384 R HA -0.236 4.139 4.340 0.058 0.000 0.238 384 R C 2.311 178.597 176.300 -0.024 0.000 1.136 384 R CA 1.681 57.761 56.100 -0.033 0.000 0.959 384 R CB -0.303 29.980 30.300 -0.028 0.000 0.856 384 R HN 0.418 nan 8.270 nan 0.000 0.437 385 Q N 0.247 120.038 119.800 -0.015 0.000 2.050 385 Q HA -0.175 4.200 4.340 0.058 0.000 0.202 385 Q C 2.073 178.069 176.000 -0.007 0.000 0.980 385 Q CA 1.686 57.483 55.803 -0.009 0.000 0.840 385 Q CB -0.111 28.625 28.738 -0.004 0.000 0.898 385 Q HN 0.372 nan 8.270 nan 0.000 0.424 386 A N 0.129 122.950 122.820 0.002 0.000 1.869 386 A HA -0.226 4.129 4.320 0.058 0.000 0.218 386 A C 2.246 179.830 177.584 -0.000 0.000 1.203 386 A CA 1.999 54.047 52.037 0.019 0.000 0.638 386 A CB -1.213 17.818 19.000 0.051 0.000 0.831 386 A HN 0.334 nan 8.150 nan 0.000 0.450 387 V N -0.344 119.554 119.914 -0.027 0.000 2.324 387 V HA -0.316 3.839 4.120 0.058 0.000 0.250 387 V C 2.684 178.744 176.094 -0.056 0.000 1.060 387 V CA 2.522 64.791 62.300 -0.052 0.000 1.042 387 V CB -0.819 30.963 31.823 -0.067 0.000 0.650 387 V HN 0.550 nan 8.190 nan 0.000 0.450 388 R N -0.125 120.352 120.500 -0.039 0.000 2.096 388 R HA -0.096 4.279 4.340 0.058 0.000 0.235 388 R C 2.440 178.716 176.300 -0.041 0.000 1.127 388 R CA 1.450 57.529 56.100 -0.035 0.000 0.968 388 R CB -0.812 29.476 30.300 -0.021 0.000 0.861 388 R HN 0.602 nan 8.270 nan 0.000 0.440 389 G N 0.591 109.370 108.800 -0.035 0.000 2.418 389 G HA2 -0.227 3.768 3.960 0.058 0.000 0.217 389 G HA3 -0.227 3.768 3.960 0.058 0.000 0.217 389 G C 1.391 176.249 174.900 -0.069 0.000 1.158 389 G CA 0.654 45.733 45.100 -0.035 0.000 0.771 389 G HN 0.204 nan 8.290 nan 0.000 0.545 390 I N 0.150 120.659 120.570 -0.101 0.000 2.394 390 I HA -0.094 4.111 4.170 0.058 0.000 0.251 390 I C 2.686 178.525 176.117 -0.463 0.000 1.136 390 I CA 1.089 62.253 61.300 -0.227 0.000 1.425 390 I CB -0.122 37.798 38.000 -0.132 0.000 1.079 390 I HN 0.148 nan 8.210 nan 0.000 0.425 391 K N 1.351 121.580 120.400 -0.286 0.000 2.062 391 K HA -0.106 4.249 4.320 0.058 0.000 0.205 391 K C 2.234 178.797 176.600 -0.062 0.000 1.051 391 K CA 1.232 57.392 56.287 -0.211 0.000 0.941 391 K CB -0.051 32.401 32.500 -0.081 0.000 0.719 391 K HN 0.243 nan 8.250 nan 0.000 0.440 392 A N 1.473 124.271 122.820 -0.037 0.000 1.978 392 A HA -0.199 4.156 4.320 0.058 0.000 0.220 392 A C 2.055 179.671 177.584 0.053 0.000 1.170 392 A CA 1.644 53.690 52.037 0.015 0.000 0.636 392 A CB -0.477 18.526 19.000 0.006 0.000 0.810 392 A HN 0.495 nan 8.150 nan 0.000 0.448 393 M N -1.560 118.063 119.600 0.038 0.000 2.236 393 M HA 0.022 4.537 4.480 0.058 0.000 0.266 393 M C 1.794 178.290 176.300 0.327 0.000 1.070 393 M CA 1.409 56.783 55.300 0.124 0.000 1.137 393 M CB -0.220 32.419 32.600 0.066 0.000 1.378 393 M HN 0.511 nan 8.290 nan 0.000 0.426 394 F N -0.191 119.831 119.950 0.121 0.000 2.171 394 F HA -0.211 4.351 4.527 0.058 0.000 0.300 394 F C 2.687 178.550 175.800 0.105 0.000 1.090 394 F CA 0.651 58.743 58.000 0.153 0.000 1.293 394 F CB -0.382 38.703 39.000 0.141 0.000 1.013 394 F HN 0.220 nan 8.300 nan 0.000 0.486 395 R N 0.748 121.413 120.500 0.275 0.000 2.073 395 R HA -0.084 4.291 4.340 0.058 0.000 0.229 395 R C 2.325 178.698 176.300 0.123 0.000 1.120 395 R CA 1.084 57.280 56.100 0.161 0.000 0.967 395 R CB -0.344 30.024 30.300 0.113 0.000 0.862 395 R HN 0.187 nan 8.270 nan 0.000 0.436 396 A N 0.609 123.503 122.820 0.124 0.000 2.067 396 A HA -0.109 4.246 4.320 0.058 0.000 0.219 396 A C 1.058 178.705 177.584 0.104 0.000 1.158 396 A CA 1.443 53.538 52.037 0.096 0.000 0.661 396 A CB -0.081 18.970 19.000 0.084 0.000 0.801 396 A HN 0.288 nan 8.150 nan 0.000 0.452 397 D N -1.067 119.421 120.400 0.146 0.000 2.340 397 D HA 0.248 4.923 4.640 0.058 0.000 0.220 397 D C 1.318 177.648 176.300 0.049 0.000 1.039 397 D CA 1.008 55.082 54.000 0.122 0.000 0.866 397 D CB -0.005 40.925 40.800 0.216 0.000 0.913 397 D HN 0.530 nan 8.370 nan 0.000 0.523 398 G N 0.692 109.522 108.800 0.051 0.000 2.176 398 G HA2 -0.272 3.723 3.960 0.058 0.000 0.252 398 G HA3 -0.272 3.723 3.960 0.058 0.000 0.252 398 G C 0.118 175.006 174.900 -0.021 0.000 1.024 398 G CA 0.349 45.457 45.100 0.014 0.000 0.755 398 G HN 0.331 nan 8.290 nan 0.000 0.507 399 L N 0.000 121.213 121.223 -0.017 0.000 2.949 399 L HA 0.000 4.375 4.340 0.058 0.000 0.249 399 L CA 0.000 54.780 54.840 -0.100 0.000 0.813 399 L CB 0.000 41.913 42.059 -0.244 0.000 0.961 399 L HN 0.000 nan 8.230 nan 0.000 0.502