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 2p9g_1_A DATA FIRST_RESID 7 DATA SEQUENCE EKDKIKFLLV EGVHQKALES LRAAGYTNIE FHKGALDDEQ LKESIRDAHF DATA SEQUENCE IGLRSRTHLT EDVINAAEKL VAIGAFAIGT NQVDLDAAAK RGIPVFNAPF DATA SEQUENCE SNTRSVAELV IGELLLLLRG VPEANAKAHR GVWNKLAAGS FEARGKKLGI DATA SEQUENCE IGYGHIGTQL GILAESLGMY VYFYDIENKL PLGNATQVQH LSDLLNMSDV DATA SEQUENCE VSLHVPENPS TKNMMGAKEI SLMKPGSLLI NASRGTVVDI PALADALASK DATA SEQUENCE HLAGAAIDVF PTEPATNSDP FTSPLAEFDN VLLTPHIGGS TQEAQENIGL DATA SEQUENCE EVAGKLIKYS DNGSTLSAVN FPEVSLPLHV VRRLMHIHEN RPGVLTALNK DATA SEQUENCE IFAEQGVNIA AQYLQTSAQM GYVVIDIEAD EDVAEKALQA MKAIPGTIRA DATA SEQUENCE RLLY 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.604 176.600 0.007 0.000 1.382 7 E CA 0.000 56.405 56.400 0.008 0.000 0.976 7 E CB 0.000 29.717 29.700 0.028 0.000 0.812 8 K N 2.069 122.445 120.400 -0.040 0.000 2.063 8 K HA -0.142 4.177 4.320 -0.002 0.000 0.208 8 K C 1.433 178.052 176.600 0.031 0.000 1.048 8 K CA 1.924 58.172 56.287 -0.065 0.000 0.928 8 K CB -0.424 31.826 32.500 -0.417 0.000 0.713 8 K HN 0.342 nan 8.250 nan 0.000 0.442 9 D N 1.766 122.162 120.400 -0.007 0.000 2.311 9 D HA -0.174 4.464 4.640 -0.002 0.000 0.212 9 D C 0.905 177.242 176.300 0.062 0.000 0.972 9 D CA 0.976 54.995 54.000 0.031 0.000 0.887 9 D CB -0.245 40.557 40.800 0.004 0.000 0.915 9 D HN 0.315 nan 8.370 nan 0.000 0.497 10 K N -0.086 120.341 120.400 0.045 0.000 2.417 10 K HA 0.260 4.579 4.320 -0.002 0.000 0.196 10 K C 0.286 176.874 176.600 -0.021 0.000 1.023 10 K CA -0.102 56.204 56.287 0.033 0.000 1.122 10 K CB 0.600 33.114 32.500 0.023 0.000 0.850 10 K HN 0.152 nan 8.250 nan 0.000 0.521 11 I N 1.886 122.473 120.570 0.027 0.000 2.312 11 I HA 0.096 4.265 4.170 -0.002 0.000 0.290 11 I C -0.061 176.171 176.117 0.192 0.000 1.008 11 I CA -0.572 60.668 61.300 -0.100 0.000 1.226 11 I CB 1.003 39.090 38.000 0.144 0.000 1.371 11 I HN -0.058 nan 8.210 nan 0.000 0.468 12 K N 6.369 126.834 120.400 0.109 0.000 2.172 12 K HA 0.453 4.771 4.320 -0.002 0.000 0.276 12 K C -1.470 175.279 176.600 0.249 0.000 1.013 12 K CA -0.387 56.068 56.287 0.279 0.000 0.913 12 K CB 0.778 33.422 32.500 0.240 0.000 1.055 12 K HN 0.312 nan 8.250 nan 0.000 0.461 13 F N 4.781 124.874 119.950 0.238 0.000 2.445 13 F HA 0.270 4.795 4.527 -0.002 0.000 0.348 13 F C -0.332 175.575 175.800 0.179 0.000 1.125 13 F CA -0.984 57.160 58.000 0.240 0.000 0.983 13 F CB 1.225 40.327 39.000 0.170 0.000 1.198 13 F HN 0.330 nan 8.300 nan 0.000 0.436 14 L N 5.671 127.068 121.223 0.289 0.000 2.264 14 L HA 0.611 4.950 4.340 -0.002 0.000 0.289 14 L C -1.354 175.623 176.870 0.179 0.000 1.044 14 L CA -0.225 54.743 54.840 0.213 0.000 0.807 14 L CB 0.537 42.683 42.059 0.144 0.000 1.192 14 L HN 0.481 nan 8.230 nan 0.000 0.425 15 L N 6.923 128.226 121.223 0.135 0.000 2.343 15 L HA 0.634 4.973 4.340 -0.002 0.000 0.278 15 L C -0.271 176.536 176.870 -0.105 0.000 0.996 15 L CA -0.911 53.935 54.840 0.010 0.000 0.831 15 L CB 1.696 43.770 42.059 0.024 0.000 1.232 15 L HN 0.576 nan 8.230 nan 0.000 0.413 16 V N -0.773 119.067 119.914 -0.124 0.000 3.177 16 V HA 0.552 4.670 4.120 -0.002 0.000 0.319 16 V C 0.493 176.465 176.094 -0.202 0.000 1.125 16 V CA -0.548 61.653 62.300 -0.166 0.000 1.029 16 V CB 1.582 33.332 31.823 -0.121 0.000 1.119 16 V HN 0.902 nan 8.190 nan 0.000 0.452 17 E N 0.329 120.420 120.200 -0.182 0.000 3.253 17 E HA -0.219 4.129 4.350 -0.002 0.000 0.284 17 E C 0.926 177.426 176.600 -0.167 0.000 0.958 17 E CA 0.766 57.084 56.400 -0.138 0.000 0.917 17 E CB -1.663 27.991 29.700 -0.077 0.000 1.466 17 E HN 2.193 nan 8.360 nan 0.000 0.455 18 G N 0.557 109.153 108.800 -0.340 0.000 2.381 18 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.281 18 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.281 18 G C 0.430 175.318 174.900 -0.020 0.000 0.984 18 G CA 0.291 45.231 45.100 -0.267 0.000 1.339 18 G HN 0.913 nan 8.290 nan 0.000 0.485 19 V N -0.503 119.374 119.914 -0.062 0.000 3.287 19 V HA 0.515 4.634 4.120 -0.002 0.000 0.306 19 V C 1.177 177.332 176.094 0.102 0.000 1.103 19 V CA -0.111 62.152 62.300 -0.062 0.000 1.159 19 V CB 0.812 32.337 31.823 -0.497 0.000 1.036 19 V HN 0.808 nan 8.190 nan 0.000 0.487 20 H N 1.956 121.046 119.070 0.033 0.000 2.871 20 H HA 0.133 4.688 4.556 -0.002 0.000 0.355 20 H C 1.153 176.485 175.328 0.007 0.000 1.092 20 H CA 0.602 56.675 56.048 0.041 0.000 1.420 20 H CB 0.899 30.691 29.762 0.048 0.000 1.400 20 H HN 0.781 nan 8.280 nan 0.000 0.604 21 Q N 3.357 122.937 119.800 -0.367 0.000 2.291 21 Q HA -0.145 4.194 4.340 -0.002 0.000 0.206 21 Q C 1.564 177.568 176.000 0.007 0.000 0.976 21 Q CA 1.147 56.830 55.803 -0.199 0.000 0.875 21 Q CB 0.038 28.610 28.738 -0.277 0.000 0.927 21 Q HN 0.677 nan 8.270 nan 0.000 0.450 22 K N 0.095 120.662 120.400 0.279 0.000 2.148 22 K HA -0.051 4.267 4.320 -0.002 0.000 0.204 22 K C 2.039 178.701 176.600 0.103 0.000 1.050 22 K CA 0.825 57.223 56.287 0.184 0.000 0.942 22 K CB -0.034 32.577 32.500 0.185 0.000 0.724 22 K HN 0.114 nan 8.250 nan 0.000 0.446 23 A N 1.515 124.418 122.820 0.138 0.000 1.873 23 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 23 A C 2.052 179.646 177.584 0.016 0.000 1.193 23 A CA 1.565 53.675 52.037 0.121 0.000 0.629 23 A CB -0.668 18.418 19.000 0.144 0.000 0.826 23 A HN 0.137 nan 8.150 nan 0.000 0.447 24 L N -0.333 120.872 121.223 -0.031 0.000 2.079 24 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 24 L C 2.432 179.258 176.870 -0.074 0.000 1.081 24 L CA 2.224 57.015 54.840 -0.082 0.000 0.752 24 L CB -0.720 41.258 42.059 -0.135 0.000 0.896 24 L HN 0.489 nan 8.230 nan 0.000 0.433 25 E N -1.163 119.010 120.200 -0.046 0.000 2.106 25 E HA -0.174 4.175 4.350 -0.002 0.000 0.192 25 E C 2.283 178.860 176.600 -0.039 0.000 0.984 25 E CA 1.279 57.653 56.400 -0.042 0.000 0.806 25 E CB -0.129 29.556 29.700 -0.024 0.000 0.750 25 E HN 0.541 nan 8.360 nan 0.000 0.458 26 S N 0.200 115.884 115.700 -0.026 0.000 2.461 26 S HA -0.055 4.414 4.470 -0.002 0.000 0.228 26 S C 1.877 176.450 174.600 -0.045 0.000 1.005 26 S CA 0.316 58.501 58.200 -0.026 0.000 0.942 26 S CB 0.054 63.248 63.200 -0.010 0.000 0.776 26 S HN 0.061 nan 8.310 nan 0.000 0.514 27 L N 1.718 122.894 121.223 -0.079 0.000 2.127 27 L HA 0.341 4.680 4.340 -0.002 0.000 0.203 27 L C 2.662 179.476 176.870 -0.094 0.000 1.080 27 L CA 1.436 56.193 54.840 -0.140 0.000 0.768 27 L CB -0.711 41.178 42.059 -0.283 0.000 0.924 27 L HN 0.257 nan 8.230 nan 0.000 0.444 28 R N -1.128 119.315 120.500 -0.094 0.000 2.276 28 R HA 0.056 4.394 4.340 -0.002 0.000 0.203 28 R C 1.997 178.259 176.300 -0.063 0.000 1.017 28 R CA 0.734 56.787 56.100 -0.078 0.000 1.010 28 R CB -0.207 30.048 30.300 -0.076 0.000 0.900 28 R HN 0.331 nan 8.270 nan 0.000 0.469 29 A N 0.811 123.599 122.820 -0.052 0.000 2.016 29 A HA 0.060 4.379 4.320 -0.002 0.000 0.217 29 A C 1.981 179.538 177.584 -0.044 0.000 1.162 29 A CA 1.279 53.289 52.037 -0.045 0.000 0.662 29 A CB -0.017 18.962 19.000 -0.035 0.000 0.812 29 A HN 0.302 nan 8.150 nan 0.000 0.450 30 A N -2.066 120.739 122.820 -0.025 0.000 2.345 30 A HA 0.462 4.781 4.320 -0.002 0.000 0.225 30 A C 1.633 179.121 177.584 -0.159 0.000 1.243 30 A CA 1.067 53.098 52.037 -0.010 0.000 0.875 30 A CB -0.614 18.459 19.000 0.121 0.000 0.929 30 A HN 1.694 nan 8.150 nan 0.000 0.502 31 G N -1.550 107.140 108.800 -0.183 0.000 2.254 31 G HA2 -0.276 3.682 3.960 -0.002 0.000 0.225 31 G HA3 -0.276 3.682 3.960 -0.002 0.000 0.225 31 G C 0.031 174.735 174.900 -0.326 0.000 1.003 31 G CA 0.068 44.995 45.100 -0.289 0.000 0.622 31 G HN 0.458 nan 8.290 nan 0.000 0.507 32 Y N 2.498 122.734 120.300 -0.108 0.000 2.624 32 Y HA 0.422 4.970 4.550 -0.002 0.000 0.354 32 Y C 1.815 177.610 175.900 -0.174 0.000 1.051 32 Y CA 0.700 58.726 58.100 -0.123 0.000 1.377 32 Y CB 0.721 39.001 38.460 -0.301 0.000 1.168 32 Y HN 0.226 nan 8.280 nan 0.000 0.525 33 T N -2.297 112.276 114.554 0.031 0.000 3.040 33 T HA 0.067 4.415 4.350 -0.002 0.000 0.266 33 T C 0.302 175.029 174.700 0.046 0.000 1.005 33 T CA -0.495 61.604 62.100 -0.002 0.000 0.906 33 T CB -0.107 68.749 68.868 -0.020 0.000 1.082 33 T HN 0.611 nan 8.240 nan 0.000 0.531 34 N N 1.403 120.179 118.700 0.126 0.000 2.645 34 N HA 0.423 5.162 4.740 -0.002 0.000 0.233 34 N C -1.143 174.508 175.510 0.235 0.000 1.058 34 N CA -0.404 52.743 53.050 0.161 0.000 0.942 34 N CB 0.287 38.874 38.487 0.168 0.000 1.210 34 N HN 0.376 nan 8.380 nan 0.000 0.512 35 I N 1.651 122.321 120.570 0.167 0.000 2.499 35 I HA 0.215 4.383 4.170 -0.002 0.000 0.288 35 I C -0.465 175.749 176.117 0.162 0.000 1.048 35 I CA -0.713 60.702 61.300 0.191 0.000 1.062 35 I CB 2.336 40.396 38.000 0.100 0.000 1.238 35 I HN 0.337 nan 8.210 nan 0.000 0.426 36 E N 5.899 126.215 120.200 0.193 0.000 2.092 36 E HA 0.314 4.663 4.350 -0.002 0.000 0.271 36 E C -1.603 175.108 176.600 0.186 0.000 0.919 36 E CA -0.545 55.947 56.400 0.154 0.000 0.760 36 E CB 1.774 31.579 29.700 0.175 0.000 1.106 36 E HN 0.393 nan 8.360 nan 0.000 0.408 37 F N 4.567 124.483 119.950 -0.057 0.000 2.443 37 F HA 0.352 4.878 4.527 -0.002 0.000 0.335 37 F C -0.535 175.152 175.800 -0.187 0.000 1.104 37 F CA -0.459 57.506 58.000 -0.059 0.000 1.013 37 F CB 0.846 39.801 39.000 -0.075 0.000 1.136 37 F HN 0.422 nan 8.300 nan 0.000 0.470 38 H N 4.659 123.310 119.070 -0.698 0.000 2.690 38 H HA 0.225 4.780 4.556 -0.002 0.000 0.368 38 H C 0.003 174.801 175.328 -0.883 0.000 1.150 38 H CA -0.799 54.931 56.048 -0.529 0.000 1.174 38 H CB 2.538 32.139 29.762 -0.268 0.000 1.684 38 H HN 0.712 nan 8.280 nan 0.000 0.538 39 K N 1.141 121.371 120.400 -0.284 0.000 2.361 39 K HA 0.126 4.445 4.320 -0.002 0.000 0.196 39 K C 0.597 177.123 176.600 -0.123 0.000 1.039 39 K CA 0.258 56.438 56.287 -0.179 0.000 1.001 39 K CB 0.477 33.007 32.500 0.050 0.000 0.795 39 K HN 0.687 nan 8.250 nan 0.000 0.495 40 G N -0.576 108.172 108.800 -0.088 0.000 2.725 40 G HA2 0.596 4.555 3.960 -0.002 0.000 0.288 40 G HA3 0.596 4.555 3.960 -0.002 0.000 0.288 40 G C -1.632 173.219 174.900 -0.081 0.000 1.399 40 G CA -0.743 44.319 45.100 -0.063 0.000 0.859 40 G HN 0.146 nan 8.290 nan 0.000 0.479 41 A N -0.194 122.587 122.820 -0.065 0.000 2.409 41 A HA 0.607 4.926 4.320 -0.002 0.000 0.262 41 A C -0.101 177.432 177.584 -0.087 0.000 1.113 41 A CA -0.145 51.850 52.037 -0.070 0.000 0.790 41 A CB 0.322 19.303 19.000 -0.032 0.000 1.046 41 A HN 0.495 nan 8.150 nan 0.000 0.496 42 L N 2.157 123.306 121.223 -0.123 0.000 2.456 42 L HA 0.255 4.594 4.340 -0.002 0.000 0.257 42 L C 0.619 177.440 176.870 -0.082 0.000 1.162 42 L CA -0.067 54.686 54.840 -0.144 0.000 0.808 42 L CB 0.503 42.430 42.059 -0.220 0.000 1.136 42 L HN 0.817 nan 8.230 nan 0.000 0.466 43 D N 0.058 120.414 120.400 -0.074 0.000 2.357 43 D HA -0.037 4.601 4.640 -0.002 0.000 0.242 43 D C 0.553 176.826 176.300 -0.044 0.000 1.153 43 D CA -0.362 53.609 54.000 -0.049 0.000 0.918 43 D CB 0.270 41.046 40.800 -0.040 0.000 1.181 43 D HN 0.608 nan 8.370 nan 0.000 0.435 44 D N -0.881 119.495 120.400 -0.039 0.000 2.424 44 D HA -0.264 4.375 4.640 -0.002 0.000 0.221 44 D C 0.779 177.059 176.300 -0.033 0.000 0.978 44 D CA 1.159 55.136 54.000 -0.039 0.000 0.971 44 D CB 0.045 40.820 40.800 -0.042 0.000 0.869 44 D HN 0.791 nan 8.370 nan 0.000 0.506 45 E N -1.137 119.042 120.200 -0.035 0.000 2.662 45 E HA -0.067 4.282 4.350 -0.002 0.000 0.205 45 E C 1.666 178.247 176.600 -0.031 0.000 1.003 45 E CA -0.207 56.175 56.400 -0.029 0.000 1.685 45 E CB -0.272 29.414 29.700 -0.023 0.000 2.386 45 E HN 0.077 nan 8.360 nan 0.000 1.092 46 Q N 0.879 120.654 119.800 -0.040 0.000 2.167 46 Q HA -0.123 4.216 4.340 -0.002 0.000 0.202 46 Q C 2.135 178.097 176.000 -0.063 0.000 0.970 46 Q CA 1.055 56.830 55.803 -0.045 0.000 0.855 46 Q CB 0.085 28.792 28.738 -0.053 0.000 0.911 46 Q HN 0.266 nan 8.270 nan 0.000 0.438 47 L N 1.545 122.721 121.223 -0.078 0.000 1.957 47 L HA -0.316 4.023 4.340 -0.002 0.000 0.228 47 L C 1.990 178.835 176.870 -0.042 0.000 1.086 47 L CA 2.174 56.970 54.840 -0.072 0.000 0.796 47 L CB -0.655 41.370 42.059 -0.056 0.000 0.900 47 L HN 0.123 nan 8.230 nan 0.000 0.439 48 K N -0.713 119.669 120.400 -0.031 0.000 2.144 48 K HA -0.256 4.063 4.320 -0.002 0.000 0.209 48 K C 1.922 178.513 176.600 -0.016 0.000 1.047 48 K CA 2.172 58.446 56.287 -0.022 0.000 0.927 48 K CB -0.241 32.246 32.500 -0.021 0.000 0.716 48 K HN 0.577 nan 8.250 nan 0.000 0.454 49 E N -0.158 120.034 120.200 -0.013 0.000 2.106 49 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 49 E C 2.034 178.639 176.600 0.008 0.000 0.984 49 E CA 1.260 57.659 56.400 -0.002 0.000 0.806 49 E CB 0.088 29.789 29.700 0.001 0.000 0.750 49 E HN 0.247 nan 8.360 nan 0.000 0.458 50 S N 1.046 116.750 115.700 0.006 0.000 2.395 50 S HA -0.024 4.444 4.470 -0.002 0.000 0.225 50 S C 2.033 176.651 174.600 0.030 0.000 1.027 50 S CA 0.315 58.532 58.200 0.030 0.000 0.965 50 S CB -0.002 63.214 63.200 0.027 0.000 0.812 50 S HN 0.205 nan 8.310 nan 0.000 0.482 51 I N 1.577 122.151 120.570 0.006 0.000 2.761 51 I HA -0.041 4.128 4.170 -0.002 0.000 0.261 51 I C 2.528 178.635 176.117 -0.015 0.000 1.198 51 I CA 0.459 61.758 61.300 -0.001 0.000 1.482 51 I CB -0.060 37.931 38.000 -0.015 0.000 1.100 51 I HN 0.174 nan 8.210 nan 0.000 0.445 52 R N 1.160 121.652 120.500 -0.012 0.000 2.134 52 R HA -0.242 4.097 4.340 -0.002 0.000 0.248 52 R C 0.828 177.108 176.300 -0.033 0.000 1.143 52 R CA 2.202 58.288 56.100 -0.022 0.000 0.957 52 R CB -0.265 30.029 30.300 -0.010 0.000 0.867 52 R HN 0.544 nan 8.270 nan 0.000 0.441 53 D N -1.202 119.193 120.400 -0.008 0.000 2.643 53 D HA 0.131 4.769 4.640 -0.002 0.000 0.244 53 D C -0.877 175.442 176.300 0.032 0.000 1.257 53 D CA -0.205 53.791 54.000 -0.006 0.000 0.831 53 D CB 0.432 41.254 40.800 0.036 0.000 1.043 53 D HN 0.187 nan 8.370 nan 0.000 0.488 54 A N 0.268 123.086 122.820 -0.004 0.000 2.331 54 A HA 0.376 4.695 4.320 -0.002 0.000 0.283 54 A C 0.139 177.655 177.584 -0.113 0.000 1.142 54 A CA -0.401 51.652 52.037 0.027 0.000 0.812 54 A CB 0.522 19.538 19.000 0.026 0.000 1.074 54 A HN 0.239 nan 8.150 nan 0.000 0.497 55 H N 0.708 119.655 119.070 -0.206 0.000 2.520 55 H HA 0.306 4.860 4.556 -0.002 0.000 0.279 55 H C -0.938 173.876 175.328 -0.856 0.000 0.990 55 H CA 1.201 56.968 56.048 -0.469 0.000 1.288 55 H CB 0.224 29.726 29.762 -0.433 0.000 1.446 55 H HN 0.554 nan 8.280 nan 0.000 0.538 56 F N 0.052 119.862 119.950 -0.233 0.000 2.573 56 F HA 0.344 4.869 4.527 -0.002 0.000 0.316 56 F C -0.699 175.053 175.800 -0.080 0.000 1.148 56 F CA -0.915 56.922 58.000 -0.273 0.000 0.940 56 F CB 2.037 40.582 39.000 -0.757 0.000 1.214 56 F HN -0.148 nan 8.300 nan 0.000 0.448 57 I N 1.820 122.490 120.570 0.166 0.000 2.562 57 I HA 0.862 5.031 4.170 -0.002 0.000 0.301 57 I C -0.487 175.785 176.117 0.259 0.000 1.003 57 I CA -0.508 60.897 61.300 0.174 0.000 1.127 57 I CB 1.827 39.879 38.000 0.087 0.000 1.304 57 I HN 0.695 nan 8.210 nan 0.000 0.446 58 G N 7.534 116.487 108.800 0.255 0.000 2.626 58 G HA2 0.602 4.560 3.960 -0.002 0.000 0.304 58 G HA3 0.602 4.560 3.960 -0.002 0.000 0.304 58 G C -1.375 173.619 174.900 0.158 0.000 1.385 58 G CA -0.448 44.866 45.100 0.357 0.000 0.957 58 G HN 0.654 nan 8.290 nan 0.000 0.504 59 L N -0.353 121.006 121.223 0.226 0.000 2.301 59 L HA 0.850 5.188 4.340 -0.002 0.000 0.249 59 L C 0.018 176.962 176.870 0.124 0.000 1.069 59 L CA -1.369 53.530 54.840 0.098 0.000 0.865 59 L CB 1.442 43.538 42.059 0.061 0.000 1.467 59 L HN 0.405 nan 8.230 nan 0.000 0.419 60 R N -0.559 119.969 120.500 0.045 0.000 3.322 60 R HA 0.468 4.807 4.340 -0.002 0.000 0.189 60 R C 1.007 177.302 176.300 -0.007 0.000 1.510 60 R CA 0.043 56.167 56.100 0.040 0.000 0.827 60 R CB 0.556 30.866 30.300 0.017 0.000 1.856 60 R HN 0.847 nan 8.270 nan 0.000 0.497 61 S N 0.559 116.241 115.700 -0.031 0.000 2.562 61 S HA 0.086 4.554 4.470 -0.002 0.000 0.221 61 S C 1.470 176.018 174.600 -0.087 0.000 0.975 61 S CA 0.499 58.659 58.200 -0.067 0.000 0.918 61 S CB -0.002 63.148 63.200 -0.082 0.000 0.772 61 S HN 0.331 nan 8.310 nan 0.000 0.531 62 R N 0.712 121.179 120.500 -0.057 0.000 2.279 62 R HA 0.205 4.543 4.340 -0.002 0.000 0.195 62 R C 0.003 176.304 176.300 0.002 0.000 0.905 62 R CA 0.266 56.349 56.100 -0.029 0.000 1.044 62 R CB 0.082 30.381 30.300 -0.001 0.000 1.056 62 R HN 0.172 nan 8.270 nan 0.000 0.535 63 T N 1.454 115.996 114.554 -0.019 0.000 2.870 63 T HA 0.075 4.424 4.350 -0.002 0.000 0.300 63 T C -0.302 174.386 174.700 -0.021 0.000 0.989 63 T CA 0.115 62.225 62.100 0.016 0.000 1.139 63 T CB 0.480 69.345 68.868 -0.005 0.000 0.920 63 T HN 0.148 nan 8.240 nan 0.000 0.537 64 H N 3.616 122.673 119.070 -0.022 0.000 2.787 64 H HA 0.191 4.746 4.556 -0.002 0.000 0.275 64 H C -0.399 174.917 175.328 -0.020 0.000 1.183 64 H CA -0.672 55.365 56.048 -0.018 0.000 1.290 64 H CB 0.669 30.420 29.762 -0.018 0.000 1.438 64 H HN 0.199 nan 8.280 nan 0.000 0.487 65 L N 4.275 125.517 121.223 0.033 0.000 2.387 65 L HA 0.080 4.419 4.340 -0.002 0.000 0.267 65 L C 0.716 177.596 176.870 0.017 0.000 1.197 65 L CA 0.186 55.037 54.840 0.017 0.000 1.070 65 L CB 0.327 42.384 42.059 -0.004 0.000 1.349 65 L HN 0.436 nan 8.230 nan 0.000 0.422 66 T N 0.626 115.199 114.554 0.033 0.000 2.927 66 T HA 0.171 4.520 4.350 -0.002 0.000 0.281 66 T C 1.290 175.992 174.700 0.003 0.000 0.998 66 T CA 0.038 62.154 62.100 0.026 0.000 1.019 66 T CB 1.136 70.031 68.868 0.044 0.000 1.061 66 T HN 0.757 nan 8.240 nan 0.000 0.518 67 E N 1.448 121.647 120.200 -0.002 0.000 2.219 67 E HA -0.228 4.120 4.350 -0.002 0.000 0.198 67 E C 1.326 177.919 176.600 -0.013 0.000 0.998 67 E CA 2.264 58.657 56.400 -0.012 0.000 0.818 67 E CB -0.209 29.484 29.700 -0.012 0.000 0.741 67 E HN 0.764 nan 8.360 nan 0.000 0.477 68 D N -0.038 120.356 120.400 -0.009 0.000 2.097 68 D HA -0.135 4.503 4.640 -0.002 0.000 0.197 68 D C 1.920 178.211 176.300 -0.015 0.000 0.984 68 D CA 1.781 55.774 54.000 -0.013 0.000 0.826 68 D CB 0.032 40.825 40.800 -0.012 0.000 0.973 68 D HN 0.163 nan 8.370 nan 0.000 0.460 69 V N 0.482 120.389 119.914 -0.011 0.000 2.515 69 V HA -0.164 3.955 4.120 -0.002 0.000 0.250 69 V C 2.409 178.490 176.094 -0.022 0.000 1.058 69 V CA 1.156 63.447 62.300 -0.014 0.000 1.064 69 V CB -0.392 31.427 31.823 -0.007 0.000 0.675 69 V HN 0.323 nan 8.190 nan 0.000 0.461 70 I N 0.346 120.902 120.570 -0.023 0.000 2.439 70 I HA -0.159 4.010 4.170 -0.002 0.000 0.251 70 I C 2.297 178.391 176.117 -0.038 0.000 1.139 70 I CA 0.967 62.247 61.300 -0.034 0.000 1.438 70 I CB -0.425 37.554 38.000 -0.035 0.000 1.085 70 I HN 0.321 nan 8.210 nan 0.000 0.427 71 N N 1.341 120.023 118.700 -0.031 0.000 2.104 71 N HA -0.177 4.562 4.740 -0.002 0.000 0.190 71 N C 1.955 177.446 175.510 -0.032 0.000 1.024 71 N CA 1.612 54.644 53.050 -0.031 0.000 0.853 71 N CB -0.485 37.987 38.487 -0.025 0.000 1.008 71 N HN 0.357 nan 8.380 nan 0.000 0.424 72 A N 0.667 123.469 122.820 -0.029 0.000 1.986 72 A HA -0.013 4.306 4.320 -0.002 0.000 0.220 72 A C 1.228 178.789 177.584 -0.038 0.000 1.171 72 A CA 1.484 53.503 52.037 -0.029 0.000 0.640 72 A CB -0.672 18.313 19.000 -0.025 0.000 0.811 72 A HN 0.320 nan 8.150 nan 0.000 0.451 73 A N 0.569 123.360 122.820 -0.048 0.000 2.527 73 A HA 0.447 4.766 4.320 -0.002 0.000 0.313 73 A C 0.795 178.327 177.584 -0.086 0.000 1.410 73 A CA 0.038 52.035 52.037 -0.067 0.000 1.060 73 A CB -0.234 18.721 19.000 -0.074 0.000 1.137 73 A HN 0.603 nan 8.150 nan 0.000 0.542 74 E N 2.131 122.280 120.200 -0.085 0.000 2.208 74 E HA -0.099 4.250 4.350 -0.002 0.000 0.193 74 E C 0.756 177.268 176.600 -0.146 0.000 0.988 74 E CA 0.839 57.183 56.400 -0.093 0.000 0.828 74 E CB 0.059 29.718 29.700 -0.067 0.000 0.763 74 E HN 0.655 nan 8.360 nan 0.000 0.478 75 K N 0.537 120.809 120.400 -0.215 0.000 2.373 75 K HA 0.153 4.472 4.320 -0.002 0.000 0.202 75 K C 0.022 176.330 176.600 -0.486 0.000 1.025 75 K CA -0.423 55.632 56.287 -0.387 0.000 1.115 75 K CB 0.455 32.628 32.500 -0.546 0.000 0.858 75 K HN 0.028 nan 8.250 nan 0.000 0.525 76 L N 1.400 122.434 121.223 -0.315 0.000 2.499 76 L HA -0.048 4.291 4.340 -0.002 0.000 0.273 76 L C 0.875 177.566 176.870 -0.298 0.000 1.195 76 L CA 0.657 55.318 54.840 -0.298 0.000 0.882 76 L CB 1.066 43.014 42.059 -0.184 0.000 1.133 76 L HN -0.170 nan 8.230 nan 0.000 0.483 77 V N 3.976 123.644 119.914 -0.411 0.000 3.090 77 V HA 0.568 4.686 4.120 -0.002 0.000 0.237 77 V C 0.436 176.431 176.094 -0.165 0.000 1.209 77 V CA 0.661 62.763 62.300 -0.331 0.000 1.209 77 V CB 0.269 31.744 31.823 -0.580 0.000 0.971 77 V HN 0.900 nan 8.190 nan 0.000 0.477 78 A N -0.310 122.380 122.820 -0.218 0.000 2.612 78 A HA 0.806 5.125 4.320 -0.002 0.000 0.293 78 A C -1.651 175.976 177.584 0.071 0.000 1.075 78 A CA -0.359 51.660 52.037 -0.030 0.000 0.680 78 A CB 1.564 20.718 19.000 0.256 0.000 1.279 78 A HN 0.131 nan 8.150 nan 0.000 0.411 79 I N 0.768 121.361 120.570 0.038 0.000 2.474 79 I HA 0.597 4.765 4.170 -0.002 0.000 0.294 79 I C 0.550 176.754 176.117 0.145 0.000 1.005 79 I CA -0.449 60.900 61.300 0.081 0.000 1.113 79 I CB 2.462 40.458 38.000 -0.005 0.000 1.289 79 I HN 0.785 nan 8.210 nan 0.000 0.436 80 G N 4.497 113.407 108.800 0.184 0.000 2.605 80 G HA2 0.664 4.623 3.960 -0.002 0.000 0.304 80 G HA3 0.664 4.623 3.960 -0.002 0.000 0.304 80 G C -0.883 174.079 174.900 0.103 0.000 1.333 80 G CA -0.451 44.706 45.100 0.096 0.000 0.973 80 G HN 0.719 nan 8.290 nan 0.000 0.507 81 A N 2.510 125.323 122.820 -0.010 0.000 2.294 81 A HA 0.635 4.953 4.320 -0.002 0.000 0.316 81 A C -0.572 176.998 177.584 -0.023 0.000 1.359 81 A CA -0.627 51.438 52.037 0.046 0.000 0.956 81 A CB 0.010 19.010 19.000 -0.001 0.000 1.155 81 A HN 0.602 nan 8.150 nan 0.000 0.544 82 F N 2.590 122.548 119.950 0.013 0.000 2.659 82 F HA 0.492 5.018 4.527 -0.002 0.000 0.360 82 F C 0.970 176.765 175.800 -0.008 0.000 1.218 82 F CA 0.973 58.980 58.000 0.012 0.000 1.317 82 F CB -0.183 38.837 39.000 0.033 0.000 1.697 82 F HN 0.759 nan 8.300 nan 0.000 0.637 83 A N 0.392 123.242 122.820 0.050 0.000 2.515 83 A HA 0.519 4.838 4.320 -0.002 0.000 0.292 83 A C 0.329 177.883 177.584 -0.049 0.000 1.065 83 A CA -0.727 51.315 52.037 0.008 0.000 0.641 83 A CB 0.374 19.378 19.000 0.006 0.000 1.306 83 A HN 0.201 nan 8.150 nan 0.000 0.441 84 I N 0.609 121.142 120.570 -0.062 0.000 2.494 84 I HA 0.110 4.278 4.170 -0.002 0.000 0.250 84 I C 1.693 177.754 176.117 -0.093 0.000 1.112 84 I CA 1.295 62.536 61.300 -0.098 0.000 1.438 84 I CB -0.386 37.561 38.000 -0.089 0.000 1.111 84 I HN 0.726 nan 8.210 nan 0.000 0.431 85 G N 0.331 109.090 108.800 -0.068 0.000 2.562 85 G HA2 0.348 4.306 3.960 -0.002 0.000 0.275 85 G HA3 0.348 4.306 3.960 -0.002 0.000 0.275 85 G C 0.515 175.376 174.900 -0.064 0.000 1.196 85 G CA 0.359 45.422 45.100 -0.062 0.000 0.908 85 G HN 0.296 nan 8.290 nan 0.000 0.524 86 T N -3.061 111.456 114.554 -0.063 0.000 3.130 86 T HA 0.127 4.476 4.350 -0.002 0.000 0.288 86 T C 1.251 175.913 174.700 -0.063 0.000 0.936 86 T CA -0.168 61.894 62.100 -0.064 0.000 0.897 86 T CB -0.166 68.661 68.868 -0.069 0.000 1.178 86 T HN 0.462 nan 8.240 nan 0.000 0.543 87 N N 2.413 121.078 118.700 -0.059 0.000 2.258 87 N HA -0.164 4.574 4.740 -0.002 0.000 0.187 87 N C 1.964 177.423 175.510 -0.085 0.000 1.012 87 N CA 1.494 54.511 53.050 -0.056 0.000 0.870 87 N CB -0.065 38.398 38.487 -0.040 0.000 0.977 87 N HN 0.604 nan 8.380 nan 0.000 0.434 88 Q N 0.940 120.664 119.800 -0.126 0.000 2.541 88 Q HA -0.005 4.334 4.340 -0.002 0.000 0.215 88 Q C 0.266 176.193 176.000 -0.123 0.000 0.977 88 Q CA 0.616 56.297 55.803 -0.204 0.000 0.934 88 Q CB -0.109 28.478 28.738 -0.252 0.000 0.988 88 Q HN 0.071 nan 8.270 nan 0.000 0.521 89 V N 2.014 121.884 119.914 -0.074 0.000 2.581 89 V HA 0.184 4.302 4.120 -0.002 0.000 0.303 89 V C -0.575 175.497 176.094 -0.037 0.000 1.041 89 V CA -0.942 61.330 62.300 -0.048 0.000 0.907 89 V CB 1.821 33.615 31.823 -0.048 0.000 0.994 89 V HN 0.018 nan 8.190 nan 0.000 0.442 90 D N 3.362 123.747 120.400 -0.026 0.000 2.435 90 D HA 0.253 4.892 4.640 -0.002 0.000 0.230 90 D C 1.156 177.434 176.300 -0.037 0.000 1.215 90 D CA 0.051 54.036 54.000 -0.025 0.000 0.947 90 D CB 0.604 41.394 40.800 -0.016 0.000 1.048 90 D HN 0.460 nan 8.370 nan 0.000 0.512 91 L N 2.082 123.278 121.223 -0.044 0.000 2.013 91 L HA -0.198 4.141 4.340 -0.002 0.000 0.212 91 L C 1.630 178.470 176.870 -0.050 0.000 1.073 91 L CA 1.009 55.817 54.840 -0.054 0.000 0.753 91 L CB -0.365 41.659 42.059 -0.058 0.000 0.890 91 L HN 0.249 nan 8.230 nan 0.000 0.432 92 D N 0.613 120.986 120.400 -0.045 0.000 2.116 92 D HA -0.193 4.445 4.640 -0.002 0.000 0.193 92 D C 2.280 178.553 176.300 -0.045 0.000 0.998 92 D CA 1.653 55.625 54.000 -0.047 0.000 0.836 92 D CB -0.258 40.519 40.800 -0.038 0.000 0.951 92 D HN 0.351 nan 8.370 nan 0.000 0.449 93 A N 1.189 123.986 122.820 -0.038 0.000 1.873 93 A HA -0.171 4.148 4.320 -0.002 0.000 0.218 93 A C 2.362 179.921 177.584 -0.041 0.000 1.193 93 A CA 2.953 54.968 52.037 -0.036 0.000 0.629 93 A CB -1.060 17.922 19.000 -0.030 0.000 0.826 93 A HN 0.268 nan 8.150 nan 0.000 0.447 94 A N -0.499 122.295 122.820 -0.044 0.000 1.933 94 A HA 0.148 4.467 4.320 -0.002 0.000 0.218 94 A C 2.505 180.072 177.584 -0.028 0.000 1.175 94 A CA 2.226 54.236 52.037 -0.045 0.000 0.628 94 A CB -1.014 17.951 19.000 -0.058 0.000 0.814 94 A HN 1.148 nan 8.150 nan 0.000 0.444 95 A N -0.142 122.655 122.820 -0.039 0.000 1.877 95 A HA -0.151 4.168 4.320 -0.002 0.000 0.216 95 A C 2.039 179.569 177.584 -0.090 0.000 1.186 95 A CA 1.792 53.786 52.037 -0.071 0.000 0.620 95 A CB -0.367 18.566 19.000 -0.111 0.000 0.822 95 A HN 0.338 nan 8.150 nan 0.000 0.443 96 K N -0.207 120.150 120.400 -0.072 0.000 2.209 96 K HA -0.061 4.258 4.320 -0.002 0.000 0.204 96 K C 1.654 178.221 176.600 -0.055 0.000 1.048 96 K CA 1.058 57.305 56.287 -0.066 0.000 0.940 96 K CB -0.244 32.225 32.500 -0.051 0.000 0.729 96 K HN 0.486 nan 8.250 nan 0.000 0.451 97 R N -0.561 119.913 120.500 -0.044 0.000 2.334 97 R HA 0.074 4.413 4.340 -0.002 0.000 0.216 97 R C 0.479 176.765 176.300 -0.023 0.000 0.905 97 R CA 0.540 56.617 56.100 -0.038 0.000 1.064 97 R CB 0.563 30.837 30.300 -0.044 0.000 1.046 97 R HN 0.327 nan 8.270 nan 0.000 0.508 98 G N 1.762 110.563 108.800 0.001 0.000 2.142 98 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.225 98 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.225 98 G C -0.081 174.903 174.900 0.141 0.000 1.015 98 G CA -0.369 44.777 45.100 0.078 0.000 0.716 98 G HN 0.208 nan 8.290 nan 0.000 0.508 99 I N 2.477 123.094 120.570 0.079 0.000 2.354 99 I HA 0.359 4.528 4.170 -0.002 0.000 0.286 99 I C -1.880 174.128 176.117 -0.181 0.000 1.007 99 I CA -2.560 58.696 61.300 -0.074 0.000 1.167 99 I CB 2.031 39.976 38.000 -0.091 0.000 1.320 99 I HN -0.104 nan 8.210 nan 0.000 0.458 100 P HA 0.182 nan 4.420 nan 0.000 0.274 100 P C -0.811 176.087 177.300 -0.669 0.000 1.231 100 P CA -0.213 62.345 63.100 -0.903 0.000 0.790 100 P CB 1.403 32.052 31.700 -1.751 0.000 0.951 101 V N 3.269 122.808 119.914 -0.625 0.000 2.487 101 V HA 0.427 4.546 4.120 -0.002 0.000 0.298 101 V C -0.246 175.516 176.094 -0.552 0.000 1.028 101 V CA -0.290 61.760 62.300 -0.417 0.000 0.860 101 V CB 0.891 32.585 31.823 -0.214 0.000 0.991 101 V HN 0.362 nan 8.190 nan 0.000 0.427 102 F N 4.283 124.129 119.950 -0.173 0.000 2.538 102 F HA 0.704 5.230 4.527 -0.002 0.000 0.325 102 F C 0.466 176.156 175.800 -0.183 0.000 1.066 102 F CA -0.498 57.394 58.000 -0.181 0.000 0.946 102 F CB 2.180 41.058 39.000 -0.203 0.000 1.199 102 F HN 0.680 nan 8.300 nan 0.000 0.473 103 N N 0.611 119.327 118.700 0.027 0.000 3.506 103 N HA 0.716 5.455 4.740 -0.002 0.000 0.331 103 N C -1.855 173.584 175.510 -0.118 0.000 1.631 103 N CA -0.840 52.161 53.050 -0.081 0.000 0.786 103 N CB 1.545 39.976 38.487 -0.093 0.000 2.023 103 N HN 0.542 nan 8.380 nan 0.000 0.621 104 A N 0.375 123.110 122.820 -0.142 0.000 3.216 104 A HA 0.452 4.770 4.320 -0.002 0.000 0.321 104 A C -1.985 175.473 177.584 -0.210 0.000 1.042 104 A CA -1.085 50.863 52.037 -0.149 0.000 0.838 104 A CB 0.498 19.427 19.000 -0.118 0.000 1.136 104 A HN 0.569 nan 8.150 nan 0.000 0.483 105 P HA -0.055 nan 4.420 nan 0.000 0.222 105 P C 0.214 177.002 177.300 -0.853 0.000 1.147 105 P CA 1.205 63.919 63.100 -0.644 0.000 0.790 105 P CB -0.006 31.152 31.700 -0.904 0.000 0.780 106 F N -1.634 118.206 119.950 -0.183 0.000 2.772 106 F HA 0.294 4.820 4.527 -0.002 0.000 0.316 106 F C 1.852 177.547 175.800 -0.174 0.000 1.114 106 F CA -0.143 57.691 58.000 -0.276 0.000 1.191 106 F CB -0.551 38.099 39.000 -0.583 0.000 1.065 106 F HN -0.271 nan 8.300 nan 0.000 0.534 107 S N 0.011 115.711 115.700 0.000 0.000 2.603 107 S HA -0.041 4.427 4.470 -0.002 0.000 0.229 107 S C 1.582 176.182 174.600 0.001 0.000 0.972 107 S CA 0.683 58.882 58.200 -0.002 0.000 0.935 107 S CB -0.424 62.762 63.200 -0.023 0.000 0.769 107 S HN 0.459 nan 8.310 nan 0.000 0.536 108 N N 0.130 118.835 118.700 0.009 0.000 2.205 108 N HA 0.044 4.783 4.740 -0.002 0.000 0.201 108 N C 0.995 176.516 175.510 0.019 0.000 1.128 108 N CA 0.198 53.256 53.050 0.013 0.000 0.867 108 N CB 0.284 38.781 38.487 0.016 0.000 0.996 108 N HN 0.241 nan 8.380 nan 0.000 0.503 109 T N 1.790 116.359 114.554 0.026 0.000 2.531 109 T HA -0.281 4.068 4.350 -0.002 0.000 0.261 109 T C 1.962 176.653 174.700 -0.016 0.000 1.141 109 T CA 1.626 63.734 62.100 0.013 0.000 1.176 109 T CB -0.294 68.588 68.868 0.024 0.000 0.863 109 T HN 0.212 nan 8.240 nan 0.000 0.424 110 R N 1.392 121.881 120.500 -0.017 0.000 2.112 110 R HA -0.105 4.234 4.340 -0.002 0.000 0.242 110 R C 2.583 178.875 176.300 -0.012 0.000 1.137 110 R CA 2.332 58.419 56.100 -0.022 0.000 0.944 110 R CB -1.240 29.049 30.300 -0.019 0.000 0.857 110 R HN 0.335 nan 8.270 nan 0.000 0.435 111 S N -0.672 115.028 115.700 -0.001 0.000 2.380 111 S HA -0.160 4.309 4.470 -0.002 0.000 0.229 111 S C 1.907 176.517 174.600 0.017 0.000 1.043 111 S CA 1.575 59.781 58.200 0.010 0.000 1.038 111 S CB -0.377 62.834 63.200 0.017 0.000 0.872 111 S HN 0.215 nan 8.310 nan 0.000 0.456 112 V N 1.492 121.417 119.914 0.018 0.000 2.323 112 V HA -0.130 3.989 4.120 -0.002 0.000 0.244 112 V C 2.592 178.697 176.094 0.018 0.000 1.041 112 V CA 1.556 63.877 62.300 0.035 0.000 1.025 112 V CB -1.201 30.656 31.823 0.057 0.000 0.656 112 V HN 0.535 nan 8.190 nan 0.000 0.451 113 A N -0.350 122.449 122.820 -0.036 0.000 1.865 113 A HA -0.296 4.023 4.320 -0.002 0.000 0.217 113 A C 2.149 179.727 177.584 -0.010 0.000 1.191 113 A CA 2.131 54.136 52.037 -0.053 0.000 0.623 113 A CB -0.641 18.305 19.000 -0.090 0.000 0.826 113 A HN 0.605 nan 8.150 nan 0.000 0.444 114 E N -1.025 119.171 120.200 -0.007 0.000 2.209 114 E HA -0.202 4.146 4.350 -0.002 0.000 0.196 114 E C 1.846 178.456 176.600 0.016 0.000 0.993 114 E CA 1.196 57.597 56.400 0.003 0.000 0.819 114 E CB -0.206 29.495 29.700 0.002 0.000 0.745 114 E HN 0.566 nan 8.360 nan 0.000 0.477 115 L N -0.065 121.172 121.223 0.024 0.000 2.131 115 L HA -0.087 4.252 4.340 -0.002 0.000 0.206 115 L C 2.036 178.929 176.870 0.038 0.000 1.087 115 L CA 1.049 55.908 54.840 0.031 0.000 0.767 115 L CB 0.078 42.159 42.059 0.037 0.000 0.917 115 L HN -0.103 nan 8.230 nan 0.000 0.441 116 V N -0.164 119.782 119.914 0.053 0.000 2.667 116 V HA -0.207 3.912 4.120 -0.002 0.000 0.252 116 V C 2.475 178.599 176.094 0.050 0.000 1.065 116 V CA 1.159 63.500 62.300 0.068 0.000 1.083 116 V CB -0.515 31.388 31.823 0.132 0.000 0.692 116 V HN 0.341 nan 8.190 nan 0.000 0.468 117 I N 1.190 121.781 120.570 0.035 0.000 2.193 117 I HA -0.101 4.068 4.170 -0.002 0.000 0.240 117 I C 2.706 178.838 176.117 0.025 0.000 1.084 117 I CA 1.996 63.312 61.300 0.027 0.000 1.365 117 I CB -1.839 36.171 38.000 0.015 0.000 1.064 117 I HN 0.368 nan 8.210 nan 0.000 0.410 118 G N 0.521 109.334 108.800 0.022 0.000 2.476 118 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.218 118 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.218 118 G C 1.600 176.514 174.900 0.024 0.000 1.164 118 G CA 0.723 45.836 45.100 0.021 0.000 0.768 118 G HN 0.436 nan 8.290 nan 0.000 0.560 119 E N -0.009 120.207 120.200 0.027 0.000 2.110 119 E HA -0.106 4.242 4.350 -0.002 0.000 0.193 119 E C 2.497 179.114 176.600 0.028 0.000 0.988 119 E CA 1.145 57.560 56.400 0.026 0.000 0.804 119 E CB -0.176 29.539 29.700 0.024 0.000 0.745 119 E HN 0.554 nan 8.360 nan 0.000 0.458 120 L N -0.981 120.261 121.223 0.031 0.000 2.217 120 L HA -0.042 4.297 4.340 -0.002 0.000 0.211 120 L C 1.914 178.805 176.870 0.035 0.000 1.107 120 L CA 1.355 56.214 54.840 0.032 0.000 0.783 120 L CB -0.517 41.563 42.059 0.036 0.000 0.919 120 L HN 0.020 nan 8.230 nan 0.000 0.442 121 L N -0.482 120.759 121.223 0.031 0.000 2.017 121 L HA -0.175 4.164 4.340 -0.002 0.000 0.208 121 L C 2.631 179.520 176.870 0.032 0.000 1.073 121 L CA 1.528 56.387 54.840 0.031 0.000 0.745 121 L CB -0.527 41.545 42.059 0.023 0.000 0.894 121 L HN 0.362 nan 8.230 nan 0.000 0.432 122 L N -1.041 120.198 121.223 0.028 0.000 2.179 122 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 122 L C 2.485 179.373 176.870 0.030 0.000 1.096 122 L CA 0.638 55.493 54.840 0.025 0.000 0.779 122 L CB -0.357 41.714 42.059 0.021 0.000 0.922 122 L HN 0.269 nan 8.230 nan 0.000 0.443 123 L N -0.099 121.144 121.223 0.034 0.000 2.046 123 L HA -0.239 4.100 4.340 -0.002 0.000 0.208 123 L C 2.550 179.455 176.870 0.057 0.000 1.077 123 L CA 1.282 56.145 54.840 0.039 0.000 0.747 123 L CB -0.349 41.728 42.059 0.030 0.000 0.896 123 L HN 0.253 nan 8.230 nan 0.000 0.432 124 L N -0.716 120.549 121.223 0.071 0.000 2.131 124 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 124 L C 2.499 179.450 176.870 0.133 0.000 1.092 124 L CA 0.846 55.761 54.840 0.126 0.000 0.759 124 L CB -0.336 41.798 42.059 0.125 0.000 0.903 124 L HN 0.255 nan 8.230 nan 0.000 0.435 125 R N -0.117 120.423 120.500 0.065 0.000 2.297 125 R HA 0.116 4.455 4.340 -0.002 0.000 0.197 125 R C 1.324 177.622 176.300 -0.003 0.000 0.943 125 R CA 0.775 56.886 56.100 0.018 0.000 1.038 125 R CB -0.227 30.075 30.300 0.003 0.000 0.957 125 R HN 0.409 nan 8.270 nan 0.000 0.484 126 G N 0.674 109.485 108.800 0.018 0.000 2.153 126 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.252 126 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.252 126 G C 0.950 175.847 174.900 -0.005 0.000 0.994 126 G CA 0.479 45.583 45.100 0.008 0.000 0.698 126 G HN 0.204 nan 8.290 nan 0.000 0.521 127 V N 0.999 120.912 119.914 -0.002 0.000 2.261 127 V HA -0.144 3.974 4.120 -0.002 0.000 0.246 127 V C 0.929 177.029 176.094 0.010 0.000 1.047 127 V CA 2.720 65.015 62.300 -0.007 0.000 1.015 127 V CB -0.949 30.873 31.823 -0.002 0.000 0.642 127 V HN 0.397 nan 8.190 nan 0.000 0.446 128 P HA -0.206 nan 4.420 nan 0.000 0.217 128 P C 1.617 178.945 177.300 0.046 0.000 1.148 128 P CA 1.709 64.833 63.100 0.041 0.000 0.828 128 P CB 0.102 31.830 31.700 0.048 0.000 0.783 129 E N -0.551 119.672 120.200 0.038 0.000 2.051 129 E HA -0.104 4.245 4.350 -0.002 0.000 0.189 129 E C 2.031 178.641 176.600 0.016 0.000 0.979 129 E CA 0.922 57.345 56.400 0.038 0.000 0.803 129 E CB -0.586 29.137 29.700 0.039 0.000 0.761 129 E HN 0.023 nan 8.360 nan 0.000 0.451 130 A N 1.194 124.004 122.820 -0.017 0.000 1.917 130 A HA -0.284 4.034 4.320 -0.002 0.000 0.219 130 A C 2.010 179.571 177.584 -0.038 0.000 1.182 130 A CA 2.043 54.041 52.037 -0.064 0.000 0.633 130 A CB -0.968 17.962 19.000 -0.117 0.000 0.819 130 A HN 0.368 nan 8.150 nan 0.000 0.448 131 N N -0.182 118.526 118.700 0.013 0.000 2.244 131 N HA -0.019 4.719 4.740 -0.002 0.000 0.183 131 N C 1.634 177.265 175.510 0.202 0.000 1.016 131 N CA 1.662 54.768 53.050 0.093 0.000 0.866 131 N CB -0.303 38.258 38.487 0.125 0.000 0.980 131 N HN 0.367 nan 8.380 nan 0.000 0.430 132 A N 0.243 123.141 122.820 0.130 0.000 1.930 132 A HA -0.014 4.304 4.320 -0.002 0.000 0.215 132 A C 2.064 179.715 177.584 0.113 0.000 1.176 132 A CA 1.018 53.134 52.037 0.132 0.000 0.632 132 A CB -0.269 18.779 19.000 0.081 0.000 0.819 132 A HN 0.284 nan 8.150 nan 0.000 0.445 133 K N -0.048 120.392 120.400 0.066 0.000 2.057 133 K HA -0.004 4.315 4.320 -0.002 0.000 0.206 133 K C 2.282 178.908 176.600 0.043 0.000 1.050 133 K CA 1.036 57.351 56.287 0.048 0.000 0.935 133 K CB -0.306 32.208 32.500 0.023 0.000 0.715 133 K HN 0.411 nan 8.250 nan 0.000 0.439 134 A N 1.367 124.189 122.820 0.004 0.000 1.908 134 A HA -0.188 4.130 4.320 -0.002 0.000 0.218 134 A C 1.614 179.143 177.584 -0.092 0.000 1.181 134 A CA 1.365 53.365 52.037 -0.061 0.000 0.627 134 A CB -0.737 18.167 19.000 -0.160 0.000 0.818 134 A HN 0.331 nan 8.150 nan 0.000 0.445 135 H N -1.172 117.916 119.070 0.030 0.000 2.563 135 H HA 0.094 4.649 4.556 -0.002 0.000 0.272 135 H C 1.087 176.435 175.328 0.034 0.000 1.005 135 H CA 0.824 56.891 56.048 0.032 0.000 1.171 135 H CB 0.142 29.919 29.762 0.026 0.000 1.351 135 H HN 0.464 nan 8.280 nan 0.000 0.602 136 R N -0.619 119.947 120.500 0.109 0.000 2.543 136 R HA 0.144 4.483 4.340 -0.002 0.000 0.323 136 R C 0.978 177.315 176.300 0.062 0.000 1.002 136 R CA 0.322 56.471 56.100 0.082 0.000 1.106 136 R CB 1.032 31.375 30.300 0.072 0.000 1.280 136 R HN 0.305 nan 8.270 nan 0.000 0.549 137 G N 0.941 109.775 108.800 0.057 0.000 2.155 137 G HA2 -0.259 3.699 3.960 -0.002 0.000 0.257 137 G HA3 -0.259 3.699 3.960 -0.002 0.000 0.257 137 G C 0.111 175.061 174.900 0.083 0.000 0.983 137 G CA 0.275 45.411 45.100 0.060 0.000 0.676 137 G HN 0.152 nan 8.290 nan 0.000 0.528 138 V N 1.111 121.078 119.914 0.088 0.000 2.481 138 V HA 0.612 4.731 4.120 -0.002 0.000 0.286 138 V C 0.270 176.467 176.094 0.170 0.000 1.042 138 V CA -0.816 61.551 62.300 0.112 0.000 0.928 138 V CB 1.716 33.584 31.823 0.076 0.000 0.986 138 V HN 0.332 nan 8.190 nan 0.000 0.462 139 W N 5.865 127.160 121.300 -0.007 0.000 2.417 139 W HA 0.418 5.076 4.660 -0.003 0.000 0.315 139 W C -0.601 175.915 176.519 -0.005 0.000 1.045 139 W CA -0.760 56.579 57.345 -0.010 0.000 1.221 139 W CB 1.293 30.745 29.460 -0.013 0.000 1.309 139 W HN 0.583 nan 8.180 nan 0.000 0.453 140 N N 5.989 124.586 118.700 -0.172 0.000 2.841 140 N HA 0.058 4.797 4.740 -0.002 0.000 0.257 140 N C -0.762 174.606 175.510 -0.237 0.000 1.396 140 N CA -0.142 52.838 53.050 -0.117 0.000 0.823 140 N CB 0.815 39.263 38.487 -0.066 0.000 1.162 140 N HN 0.314 nan 8.380 nan 0.000 0.503 141 K N 3.040 123.316 120.400 -0.207 0.000 2.350 141 K HA 0.327 4.646 4.320 -0.002 0.000 0.279 141 K C -0.390 176.181 176.600 -0.048 0.000 1.027 141 K CA -0.007 56.195 56.287 -0.142 0.000 0.969 141 K CB 0.520 33.047 32.500 0.044 0.000 0.954 141 K HN 0.406 nan 8.250 nan 0.000 0.474 142 L N -0.275 120.906 121.223 -0.070 0.000 2.869 142 L HA 0.584 4.923 4.340 -0.002 0.000 0.265 142 L C -0.832 175.993 176.870 -0.076 0.000 1.011 142 L CA -0.828 53.982 54.840 -0.049 0.000 0.913 142 L CB 1.280 43.316 42.059 -0.039 0.000 1.490 142 L HN 0.658 nan 8.230 nan 0.000 0.410 143 A N 0.358 123.130 122.820 -0.080 0.000 2.074 143 A HA 0.646 4.965 4.320 -0.002 0.000 0.200 143 A C 1.122 178.603 177.584 -0.173 0.000 1.335 143 A CA 0.691 52.656 52.037 -0.119 0.000 0.922 143 A CB -0.092 18.853 19.000 -0.092 0.000 0.972 143 A HN 1.256 nan 8.150 nan 0.000 0.475 144 A N 0.429 123.176 122.820 -0.122 0.000 2.558 144 A HA 0.382 4.701 4.320 -0.002 0.000 0.262 144 A C 1.651 179.141 177.584 -0.157 0.000 1.049 144 A CA 1.011 52.978 52.037 -0.116 0.000 0.804 144 A CB -1.349 17.621 19.000 -0.049 0.000 0.957 144 A HN 2.154 nan 8.150 nan 0.000 0.520 145 G N 2.027 110.668 108.800 -0.264 0.000 2.162 145 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.260 145 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.260 145 G C 0.464 175.004 174.900 -0.600 0.000 0.976 145 G CA 0.504 45.424 45.100 -0.299 0.000 0.655 145 G HN 1.222 nan 8.290 nan 0.000 0.533 146 S N -0.202 115.082 115.700 -0.693 0.000 2.499 146 S HA 0.797 5.266 4.470 -0.002 0.000 0.279 146 S C -0.428 173.701 174.600 -0.785 0.000 1.219 146 S CA -0.304 57.580 58.200 -0.525 0.000 1.062 146 S CB 0.501 63.544 63.200 -0.261 0.000 0.978 146 S HN 0.337 nan 8.310 nan 0.000 0.489 147 F N 1.149 121.098 119.950 -0.002 0.000 2.588 147 F HA 0.432 4.958 4.527 -0.002 0.000 0.314 147 F C 0.496 176.296 175.800 0.000 0.000 1.069 147 F CA -1.072 56.929 58.000 0.002 0.000 0.931 147 F CB 1.393 40.396 39.000 0.005 0.000 1.260 147 F HN 0.443 nan 8.300 nan 0.000 0.465 148 E N 0.308 120.624 120.200 0.194 0.000 2.312 148 E HA 0.556 4.904 4.350 -0.002 0.000 0.259 148 E C 0.206 176.869 176.600 0.104 0.000 1.122 148 E CA -0.387 56.078 56.400 0.107 0.000 0.922 148 E CB 1.187 30.926 29.700 0.064 0.000 1.109 148 E HN 0.686 nan 8.360 nan 0.000 0.442 149 A N 1.286 124.139 122.820 0.055 0.000 1.984 149 A HA -0.025 4.294 4.320 -0.002 0.000 0.214 149 A C 1.257 178.837 177.584 -0.008 0.000 1.173 149 A CA 0.169 52.224 52.037 0.029 0.000 0.673 149 A CB -0.060 18.951 19.000 0.020 0.000 0.830 149 A HN 0.495 nan 8.150 nan 0.000 0.453 150 R N 0.050 120.540 120.500 -0.016 0.000 2.504 150 R HA 0.225 4.564 4.340 -0.002 0.000 0.291 150 R C 1.088 177.353 176.300 -0.059 0.000 0.974 150 R CA 1.181 57.246 56.100 -0.059 0.000 1.077 150 R CB -0.268 30.011 30.300 -0.036 0.000 0.926 150 R HN 0.801 nan 8.270 nan 0.000 0.407 151 G N 3.491 112.197 108.800 -0.157 0.000 2.254 151 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.225 151 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.225 151 G C -0.295 174.632 174.900 0.045 0.000 1.003 151 G CA -0.201 44.861 45.100 -0.065 0.000 0.622 151 G HN 0.521 nan 8.290 nan 0.000 0.507 152 K N 1.113 121.517 120.400 0.006 0.000 2.168 152 K HA 0.494 4.812 4.320 -0.002 0.000 0.258 152 K C 0.324 177.011 176.600 0.145 0.000 1.010 152 K CA -0.140 56.181 56.287 0.057 0.000 0.929 152 K CB 0.778 33.280 32.500 0.004 0.000 0.998 152 K HN 0.364 nan 8.250 nan 0.000 0.479 153 K N 1.422 121.918 120.400 0.160 0.000 2.183 153 K HA 0.294 4.613 4.320 -0.002 0.000 0.274 153 K C -0.453 176.241 176.600 0.156 0.000 1.009 153 K CA -0.852 55.572 56.287 0.228 0.000 0.888 153 K CB 0.916 33.489 32.500 0.122 0.000 1.078 153 K HN 0.201 nan 8.250 nan 0.000 0.459 154 L N 1.673 123.031 121.223 0.224 0.000 2.313 154 L HA 0.514 4.852 4.340 -0.002 0.000 0.283 154 L C -0.422 176.588 176.870 0.233 0.000 1.013 154 L CA 0.048 54.995 54.840 0.178 0.000 0.816 154 L CB 1.526 43.681 42.059 0.160 0.000 1.236 154 L HN 0.668 nan 8.230 nan 0.000 0.419 155 G N 6.444 115.350 108.800 0.176 0.000 2.437 155 G HA2 0.568 4.527 3.960 -0.002 0.000 0.315 155 G HA3 0.568 4.527 3.960 -0.002 0.000 0.315 155 G C -0.821 174.210 174.900 0.219 0.000 1.210 155 G CA -0.419 44.803 45.100 0.205 0.000 0.943 155 G HN 0.611 nan 8.290 nan 0.000 0.471 156 I N 2.983 123.739 120.570 0.309 0.000 2.321 156 I HA 0.310 4.479 4.170 -0.002 0.000 0.291 156 I C -0.294 176.044 176.117 0.369 0.000 0.998 156 I CA -0.558 60.945 61.300 0.338 0.000 1.227 156 I CB 1.767 40.007 38.000 0.399 0.000 1.368 156 I HN 0.243 nan 8.210 nan 0.000 0.466 157 I N 6.018 126.761 120.570 0.289 0.000 2.307 157 I HA 0.463 4.631 4.170 -0.002 0.000 0.289 157 I C 0.465 176.761 176.117 0.298 0.000 1.021 157 I CA -0.106 61.380 61.300 0.310 0.000 1.224 157 I CB 1.236 39.353 38.000 0.197 0.000 1.376 157 I HN 0.821 nan 8.210 nan 0.000 0.470 158 G N 4.946 113.953 108.800 0.345 0.000 3.035 158 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.674 158 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.674 158 G C -0.823 174.229 174.900 0.253 0.000 1.159 158 G CA -0.758 44.503 45.100 0.268 0.000 1.098 158 G HN 0.650 nan 8.290 nan 0.000 0.473 159 Y N 2.829 123.153 120.300 0.039 0.000 2.883 159 Y HA 0.481 5.030 4.550 -0.002 0.000 0.385 159 Y C 1.366 177.151 175.900 -0.192 0.000 1.067 159 Y CA 0.400 58.394 58.100 -0.176 0.000 1.682 159 Y CB -0.123 38.015 38.460 -0.536 0.000 1.606 159 Y HN 0.717 nan 8.280 nan 0.000 0.508 160 G N -0.315 108.389 108.800 -0.161 0.000 2.829 160 G HA2 -0.022 3.936 3.960 -0.002 0.000 0.173 160 G HA3 -0.022 3.936 3.960 -0.002 0.000 0.173 160 G C 0.823 175.529 174.900 -0.323 0.000 1.476 160 G CA -0.123 44.861 45.100 -0.193 0.000 1.072 160 G HN 0.494 nan 8.290 nan 0.000 0.577 161 H N -0.793 118.123 119.070 -0.255 0.000 2.293 161 H HA -0.042 4.512 4.556 -0.002 0.000 0.300 161 H C 2.690 177.864 175.328 -0.256 0.000 1.082 161 H CA 1.748 57.627 56.048 -0.281 0.000 1.308 161 H CB 0.123 29.730 29.762 -0.259 0.000 1.375 161 H HN 0.185 nan 8.280 nan 0.000 0.495 162 I N 0.047 120.575 120.570 -0.070 0.000 2.333 162 I HA -0.095 4.074 4.170 -0.002 0.000 0.246 162 I C 2.840 178.714 176.117 -0.406 0.000 1.106 162 I CA 0.881 62.054 61.300 -0.212 0.000 1.411 162 I CB -0.294 37.590 38.000 -0.193 0.000 1.082 162 I HN 0.206 nan 8.210 nan 0.000 0.420 163 G N 0.257 108.820 108.800 -0.395 0.000 2.469 163 G HA2 -0.335 3.623 3.960 -0.002 0.000 0.220 163 G HA3 -0.335 3.623 3.960 -0.002 0.000 0.220 163 G C 1.762 176.310 174.900 -0.586 0.000 1.136 163 G CA 1.728 46.590 45.100 -0.397 0.000 0.759 163 G HN 0.456 nan 8.290 nan 0.000 0.562 164 T N -2.494 111.587 114.554 -0.789 0.000 2.896 164 T HA 0.006 4.355 4.350 -0.002 0.000 0.263 164 T C 2.181 176.645 174.700 -0.393 0.000 1.050 164 T CA 1.339 62.931 62.100 -0.846 0.000 1.140 164 T CB -0.178 68.168 68.868 -0.871 0.000 0.877 164 T HN 0.235 nan 8.240 nan 0.000 0.457 165 Q N 0.208 119.828 119.800 -0.301 0.000 2.084 165 Q HA -0.015 4.324 4.340 -0.002 0.000 0.202 165 Q C 2.311 178.220 176.000 -0.152 0.000 0.978 165 Q CA 1.321 57.013 55.803 -0.185 0.000 0.844 165 Q CB -0.361 28.291 28.738 -0.142 0.000 0.898 165 Q HN 0.519 nan 8.270 nan 0.000 0.426 166 L N 0.251 121.362 121.223 -0.186 0.000 1.976 166 L HA -0.088 4.251 4.340 -0.002 0.000 0.209 166 L C 2.186 179.024 176.870 -0.053 0.000 1.071 166 L CA 2.475 57.245 54.840 -0.117 0.000 0.746 166 L CB -1.219 40.751 42.059 -0.150 0.000 0.890 166 L HN 0.206 nan 8.230 nan 0.000 0.432 167 G N 0.156 108.934 108.800 -0.037 0.000 2.624 167 G HA2 -0.381 3.578 3.960 -0.002 0.000 0.221 167 G HA3 -0.381 3.578 3.960 -0.002 0.000 0.221 167 G C 1.611 176.519 174.900 0.013 0.000 1.169 167 G CA 1.813 46.940 45.100 0.044 0.000 0.771 167 G HN 0.535 nan 8.290 nan 0.000 0.598 168 I N -0.174 120.379 120.570 -0.028 0.000 2.099 168 I HA -0.181 3.988 4.170 -0.002 0.000 0.239 168 I C 2.698 178.800 176.117 -0.025 0.000 1.066 168 I CA 0.654 61.937 61.300 -0.028 0.000 1.324 168 I CB -0.418 37.551 38.000 -0.050 0.000 1.037 168 I HN 0.090 nan 8.210 nan 0.000 0.401 169 L N 0.981 122.185 121.223 -0.033 0.000 1.997 169 L HA -0.289 4.050 4.340 -0.002 0.000 0.216 169 L C 2.706 179.568 176.870 -0.014 0.000 1.074 169 L CA 2.413 57.239 54.840 -0.023 0.000 0.763 169 L CB -1.414 40.630 42.059 -0.025 0.000 0.890 169 L HN 0.299 nan 8.230 nan 0.000 0.434 170 A N -1.506 121.312 122.820 -0.004 0.000 1.940 170 A HA -0.270 4.049 4.320 -0.002 0.000 0.219 170 A C 2.320 179.895 177.584 -0.015 0.000 1.176 170 A CA 1.910 53.949 52.037 0.002 0.000 0.631 170 A CB -0.571 18.446 19.000 0.028 0.000 0.814 170 A HN 0.536 nan 8.150 nan 0.000 0.446 171 E N -0.247 119.945 120.200 -0.013 0.000 2.072 171 E HA -0.117 4.232 4.350 -0.002 0.000 0.191 171 E C 2.236 178.815 176.600 -0.035 0.000 0.985 171 E CA 1.123 57.506 56.400 -0.027 0.000 0.801 171 E CB -0.067 29.626 29.700 -0.010 0.000 0.750 171 E HN 0.589 nan 8.360 nan 0.000 0.452 172 S N 0.519 116.204 115.700 -0.025 0.000 2.392 172 S HA -0.196 4.272 4.470 -0.002 0.000 0.232 172 S C 1.537 176.120 174.600 -0.029 0.000 1.041 172 S CA 0.912 59.097 58.200 -0.024 0.000 1.026 172 S CB -0.163 63.025 63.200 -0.019 0.000 0.845 172 S HN 0.174 nan 8.310 nan 0.000 0.465 173 L N 0.744 121.949 121.223 -0.031 0.000 2.599 173 L HA 0.251 4.589 4.340 -0.002 0.000 0.230 173 L C 1.457 178.292 176.870 -0.059 0.000 1.141 173 L CA 0.677 55.497 54.840 -0.033 0.000 0.877 173 L CB -0.880 41.166 42.059 -0.021 0.000 1.009 173 L HN 0.443 nan 8.230 nan 0.000 0.447 174 G N -0.497 108.252 108.800 -0.085 0.000 2.212 174 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.255 174 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.255 174 G C 0.246 174.985 174.900 -0.268 0.000 1.062 174 G CA 0.309 45.317 45.100 -0.154 0.000 0.815 174 G HN 0.265 nan 8.290 nan 0.000 0.497 175 M N -0.962 118.509 119.600 -0.215 0.000 2.573 175 M HA 0.596 5.075 4.480 -0.002 0.000 0.309 175 M C -0.280 175.861 176.300 -0.265 0.000 1.202 175 M CA -0.964 54.190 55.300 -0.244 0.000 0.975 175 M CB 1.171 33.737 32.600 -0.055 0.000 1.600 175 M HN 0.040 nan 8.290 nan 0.000 0.479 176 Y N 0.738 121.095 120.300 0.095 0.000 2.404 176 Y HA 0.396 4.945 4.550 -0.002 0.000 0.344 176 Y C -0.032 175.930 175.900 0.103 0.000 0.970 176 Y CA -0.767 57.386 58.100 0.088 0.000 1.180 176 Y CB 0.445 39.063 38.460 0.264 0.000 1.138 176 Y HN 0.259 nan 8.280 nan 0.000 0.510 177 V N 5.098 125.051 119.914 0.065 0.000 2.567 177 V HA 0.333 4.452 4.120 -0.002 0.000 0.289 177 V C -0.753 175.303 176.094 -0.064 0.000 1.049 177 V CA -0.740 61.623 62.300 0.105 0.000 0.969 177 V CB 0.732 32.619 31.823 0.107 0.000 0.995 177 V HN 0.576 nan 8.190 nan 0.000 0.471 178 Y N 4.213 124.629 120.300 0.194 0.000 2.513 178 Y HA 0.680 5.229 4.550 -0.002 0.000 0.340 178 Y C -0.349 175.685 175.900 0.224 0.000 1.055 178 Y CA -0.980 57.202 58.100 0.137 0.000 1.020 178 Y CB 2.038 40.534 38.460 0.060 0.000 1.301 178 Y HN 0.662 nan 8.280 nan 0.000 0.453 179 F N 0.380 120.401 119.950 0.120 0.000 2.650 179 F HA 0.802 5.327 4.527 -0.002 0.000 0.320 179 F C -2.115 173.765 175.800 0.132 0.000 1.091 179 F CA -1.877 56.181 58.000 0.096 0.000 0.962 179 F CB 1.931 40.906 39.000 -0.043 0.000 1.363 179 F HN 0.413 nan 8.300 nan 0.000 0.482 180 Y N 1.606 122.045 120.300 0.232 0.000 2.361 180 Y HA 0.524 5.073 4.550 -0.002 0.000 0.328 180 Y C -1.925 174.120 175.900 0.242 0.000 1.044 180 Y CA -0.559 57.600 58.100 0.098 0.000 1.085 180 Y CB 1.131 39.619 38.460 0.046 0.000 1.194 180 Y HN 0.921 nan 8.280 nan 0.000 0.438 181 D N 4.661 124.841 120.400 -0.365 0.000 2.552 181 D HA 0.273 4.912 4.640 -0.002 0.000 0.239 181 D C 0.514 176.520 176.300 -0.491 0.000 1.139 181 D CA -0.435 53.450 54.000 -0.193 0.000 0.914 181 D CB 2.008 42.907 40.800 0.164 0.000 1.461 181 D HN 0.707 nan 8.370 nan 0.000 0.462 182 I N -1.477 118.953 120.570 -0.233 0.000 2.852 182 I HA 0.290 4.459 4.170 -0.002 0.000 0.264 182 I C 0.919 176.974 176.117 -0.103 0.000 1.179 182 I CA 0.065 61.259 61.300 -0.177 0.000 1.480 182 I CB 0.090 38.071 38.000 -0.031 0.000 1.111 182 I HN 0.151 nan 8.210 nan 0.000 0.441 183 E N 3.040 123.209 120.200 -0.053 0.000 2.283 183 E HA 0.137 4.486 4.350 -0.002 0.000 0.278 183 E C -0.464 176.123 176.600 -0.022 0.000 1.027 183 E CA -0.433 55.954 56.400 -0.022 0.000 0.843 183 E CB 0.671 30.376 29.700 0.009 0.000 1.062 183 E HN 0.295 nan 8.360 nan 0.000 0.401 184 N N 3.464 122.148 118.700 -0.027 0.000 2.492 184 N HA 0.037 4.776 4.740 -0.002 0.000 0.260 184 N C -0.666 174.865 175.510 0.035 0.000 1.215 184 N CA 0.546 53.584 53.050 -0.020 0.000 0.923 184 N CB 0.591 39.057 38.487 -0.035 0.000 1.092 184 N HN 0.355 nan 8.380 nan 0.000 0.448 185 K N 1.684 122.137 120.400 0.088 0.000 2.444 185 K HA 0.343 4.662 4.320 -0.002 0.000 0.252 185 K C -1.003 175.671 176.600 0.123 0.000 0.993 185 K CA -0.884 55.482 56.287 0.131 0.000 0.847 185 K CB 1.647 34.285 32.500 0.229 0.000 1.340 185 K HN 0.304 nan 8.250 nan 0.000 0.446 186 L N 3.442 124.720 121.223 0.092 0.000 2.259 186 L HA 0.329 4.667 4.340 -0.002 0.000 0.288 186 L C -2.455 174.475 176.870 0.100 0.000 1.051 186 L CA -1.534 53.349 54.840 0.072 0.000 0.824 186 L CB 0.451 42.530 42.059 0.033 0.000 1.206 186 L HN 0.276 nan 8.230 nan 0.000 0.429 187 P HA 0.157 nan 4.420 nan 0.000 0.267 187 P C -0.885 176.469 177.300 0.090 0.000 1.205 187 P CA 0.041 63.207 63.100 0.111 0.000 0.765 187 P CB 0.494 32.268 31.700 0.124 0.000 0.828 188 L N 2.440 123.736 121.223 0.121 0.000 2.325 188 L HA 0.471 4.810 4.340 -0.002 0.000 0.279 188 L C 1.532 178.433 176.870 0.052 0.000 1.054 188 L CA -0.004 54.873 54.840 0.062 0.000 0.804 188 L CB 0.743 42.820 42.059 0.031 0.000 1.200 188 L HN 0.733 nan 8.230 nan 0.000 0.436 189 G N 3.210 112.024 108.800 0.024 0.000 2.574 189 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.301 189 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.301 189 G C 0.462 175.372 174.900 0.015 0.000 1.166 189 G CA 0.611 45.720 45.100 0.016 0.000 0.971 189 G HN 0.683 nan 8.290 nan 0.000 0.542 190 N N 1.932 120.639 118.700 0.012 0.000 2.200 190 N HA 0.576 5.315 4.740 -0.002 0.000 0.224 190 N C 0.835 176.322 175.510 -0.038 0.000 1.179 190 N CA 0.866 53.912 53.050 -0.007 0.000 0.877 190 N CB 0.637 39.126 38.487 0.003 0.000 1.072 190 N HN 0.972 nan 8.380 nan 0.000 0.519 191 A N 0.146 122.971 122.820 0.008 0.000 2.521 191 A HA 0.408 4.727 4.320 -0.002 0.000 0.237 191 A C 0.193 177.755 177.584 -0.036 0.000 1.087 191 A CA 0.535 52.586 52.037 0.024 0.000 0.777 191 A CB 0.119 19.203 19.000 0.140 0.000 1.035 191 A HN 0.156 nan 8.150 nan 0.000 0.510 192 T N 1.117 115.605 114.554 -0.110 0.000 3.109 192 T HA 0.406 4.754 4.350 -0.002 0.000 0.311 192 T C -0.508 173.925 174.700 -0.445 0.000 1.011 192 T CA -0.388 61.581 62.100 -0.218 0.000 1.026 192 T CB 1.328 70.027 68.868 -0.282 0.000 1.047 192 T HN 0.781 nan 8.240 nan 0.000 0.448 193 Q N 2.341 121.752 119.800 -0.648 0.000 2.293 193 Q HA 0.596 4.935 4.340 -0.002 0.000 0.251 193 Q C -1.067 174.636 176.000 -0.496 0.000 0.930 193 Q CA -0.376 54.764 55.803 -1.105 0.000 0.893 193 Q CB 0.733 28.923 28.738 -0.914 0.000 1.215 193 Q HN 0.481 nan 8.270 nan 0.000 0.425 194 V N 3.911 123.583 119.914 -0.404 0.000 2.555 194 V HA 0.105 4.224 4.120 -0.002 0.000 0.302 194 V C 0.200 176.221 176.094 -0.121 0.000 1.038 194 V CA -0.607 61.606 62.300 -0.145 0.000 0.887 194 V CB 1.675 33.484 31.823 -0.022 0.000 0.991 194 V HN 0.900 nan 8.190 nan 0.000 0.434 195 Q N 1.630 121.344 119.800 -0.143 0.000 2.123 195 Q HA 0.078 4.417 4.340 -0.002 0.000 0.196 195 Q C 0.519 176.361 176.000 -0.263 0.000 0.958 195 Q CA 1.380 57.022 55.803 -0.269 0.000 0.841 195 Q CB 0.225 28.734 28.738 -0.383 0.000 0.915 195 Q HN 0.760 nan 8.270 nan 0.000 0.455 196 H N 0.414 119.550 119.070 0.111 0.000 2.519 196 H HA 0.055 4.610 4.556 -0.002 0.000 0.316 196 H C 0.858 176.176 175.328 -0.016 0.000 1.065 196 H CA -0.439 55.663 56.048 0.091 0.000 1.264 196 H CB 1.471 31.244 29.762 0.018 0.000 1.413 196 H HN 0.110 nan 8.280 nan 0.000 0.465 197 L N 3.900 125.011 121.223 -0.186 0.000 2.011 197 L HA -0.364 3.975 4.340 -0.002 0.000 0.225 197 L C 2.487 179.247 176.870 -0.184 0.000 1.084 197 L CA 2.617 57.151 54.840 -0.509 0.000 0.791 197 L CB -0.892 40.707 42.059 -0.765 0.000 0.898 197 L HN 0.757 nan 8.230 nan 0.000 0.440 198 S N -1.731 113.909 115.700 -0.100 0.000 2.407 198 S HA -0.247 4.222 4.470 -0.002 0.000 0.235 198 S C 1.673 176.246 174.600 -0.045 0.000 1.036 198 S CA 1.631 59.791 58.200 -0.065 0.000 1.013 198 S CB -0.870 62.299 63.200 -0.052 0.000 0.820 198 S HN 0.664 nan 8.310 nan 0.000 0.476 199 D N 0.741 121.133 120.400 -0.012 0.000 2.289 199 D HA 0.140 4.779 4.640 -0.002 0.000 0.207 199 D C 1.818 178.086 176.300 -0.053 0.000 0.966 199 D CA 0.467 54.455 54.000 -0.021 0.000 0.868 199 D CB -0.228 40.584 40.800 0.021 0.000 0.943 199 D HN 0.393 nan 8.370 nan 0.000 0.514 200 L N 0.877 122.074 121.223 -0.043 0.000 1.994 200 L HA -0.136 4.202 4.340 -0.002 0.000 0.208 200 L C 2.318 179.153 176.870 -0.059 0.000 1.071 200 L CA 1.237 56.051 54.840 -0.044 0.000 0.745 200 L CB -0.353 41.709 42.059 0.005 0.000 0.892 200 L HN -0.057 nan 8.230 nan 0.000 0.431 201 L N -0.346 120.841 121.223 -0.060 0.000 1.971 201 L HA -0.310 4.028 4.340 -0.002 0.000 0.215 201 L C 2.430 179.270 176.870 -0.051 0.000 1.072 201 L CA 1.892 56.701 54.840 -0.051 0.000 0.758 201 L CB -1.141 40.887 42.059 -0.051 0.000 0.889 201 L HN 0.424 nan 8.230 nan 0.000 0.433 202 N N 0.481 119.150 118.700 -0.053 0.000 2.137 202 N HA -0.228 4.511 4.740 -0.002 0.000 0.190 202 N C 1.847 177.310 175.510 -0.077 0.000 1.017 202 N CA 2.178 55.196 53.050 -0.052 0.000 0.859 202 N CB -0.220 38.237 38.487 -0.049 0.000 1.002 202 N HN 0.567 nan 8.380 nan 0.000 0.428 203 M N -1.294 118.237 119.600 -0.114 0.000 2.541 203 M HA 0.204 4.682 4.480 -0.002 0.000 0.252 203 M C 0.217 176.432 176.300 -0.143 0.000 1.125 203 M CA 0.447 55.652 55.300 -0.160 0.000 1.091 203 M CB 0.382 32.819 32.600 -0.272 0.000 1.420 203 M HN -0.282 nan 8.290 nan 0.000 0.486 204 S N 2.385 118.024 115.700 -0.101 0.000 2.489 204 S HA 0.137 4.606 4.470 -0.002 0.000 0.277 204 S C 0.370 174.937 174.600 -0.055 0.000 1.230 204 S CA -0.661 57.505 58.200 -0.057 0.000 1.053 204 S CB 0.968 64.157 63.200 -0.018 0.000 0.955 204 S HN 0.337 nan 8.310 nan 0.000 0.488 205 D N 1.707 122.080 120.400 -0.045 0.000 2.224 205 D HA 0.005 4.643 4.640 -0.002 0.000 0.205 205 D C 0.156 176.427 176.300 -0.049 0.000 0.965 205 D CA 1.046 55.003 54.000 -0.072 0.000 0.852 205 D CB 0.322 41.071 40.800 -0.086 0.000 0.947 205 D HN 0.248 nan 8.370 nan 0.000 0.494 206 V N 1.099 121.008 119.914 -0.010 0.000 2.668 206 V HA 0.273 4.392 4.120 -0.002 0.000 0.304 206 V C -0.365 175.743 176.094 0.024 0.000 1.071 206 V CA -0.817 61.485 62.300 0.003 0.000 0.894 206 V CB 2.918 34.756 31.823 0.025 0.000 1.008 206 V HN -0.293 nan 8.190 nan 0.000 0.425 207 V N 3.079 122.998 119.914 0.009 0.000 2.487 207 V HA 0.712 4.831 4.120 -0.002 0.000 0.298 207 V C -0.115 175.984 176.094 0.009 0.000 1.028 207 V CA -0.268 62.045 62.300 0.022 0.000 0.860 207 V CB 2.020 33.843 31.823 -0.001 0.000 0.991 207 V HN 0.881 nan 8.190 nan 0.000 0.427 208 S N 5.375 121.094 115.700 0.033 0.000 2.561 208 S HA 0.722 5.190 4.470 -0.002 0.000 0.303 208 S C -0.974 173.550 174.600 -0.127 0.000 1.110 208 S CA -0.575 57.603 58.200 -0.038 0.000 1.034 208 S CB 0.936 64.178 63.200 0.070 0.000 1.010 208 S HN 0.566 nan 8.310 nan 0.000 0.482 209 L N 5.657 126.700 121.223 -0.299 0.000 2.276 209 L HA 0.522 4.860 4.340 -0.002 0.000 0.286 209 L C -0.050 176.502 176.870 -0.530 0.000 1.061 209 L CA -0.445 54.239 54.840 -0.259 0.000 0.807 209 L CB 0.691 42.649 42.059 -0.169 0.000 1.177 209 L HN 0.693 nan 8.230 nan 0.000 0.429 210 H N 3.745 122.853 119.070 0.064 0.000 2.511 210 H HA 0.332 4.887 4.556 -0.002 0.000 0.228 210 H C -0.691 174.680 175.328 0.071 0.000 1.424 210 H CA -0.146 55.934 56.048 0.054 0.000 1.321 210 H CB 1.052 30.840 29.762 0.043 0.000 1.720 210 H HN 0.406 nan 8.280 nan 0.000 0.512 211 V N -0.765 119.220 119.914 0.118 0.000 3.074 211 V HA 0.752 4.870 4.120 -0.002 0.000 0.314 211 V C -2.459 173.688 176.094 0.087 0.000 1.117 211 V CA -2.331 60.036 62.300 0.112 0.000 1.014 211 V CB 2.821 34.704 31.823 0.099 0.000 1.057 211 V HN 0.088 nan 8.190 nan 0.000 0.438 212 P HA 0.350 nan 4.420 nan 0.000 0.282 212 P C -1.067 176.261 177.300 0.047 0.000 1.287 212 P CA -0.301 62.840 63.100 0.068 0.000 0.792 212 P CB 0.968 32.714 31.700 0.077 0.000 1.163 213 E N 0.971 121.192 120.200 0.036 0.000 2.156 213 E HA 0.377 4.726 4.350 -0.002 0.000 0.279 213 E C -0.800 175.817 176.600 0.028 0.000 0.965 213 E CA -0.451 55.965 56.400 0.027 0.000 0.789 213 E CB 0.207 29.919 29.700 0.020 0.000 1.098 213 E HN 0.572 nan 8.360 nan 0.000 0.397 214 N N 2.793 121.511 118.700 0.029 0.000 4.310 214 N HA 0.076 4.814 4.740 -0.002 0.000 0.212 214 N C -2.711 172.817 175.510 0.029 0.000 1.277 214 N CA -0.949 52.118 53.050 0.028 0.000 0.854 214 N CB 0.443 38.950 38.487 0.032 0.000 1.480 214 N HN 0.106 nan 8.380 nan 0.000 0.489 215 P HA -0.304 nan 4.420 nan 0.000 0.220 215 P C 1.177 178.495 177.300 0.031 0.000 1.155 215 P CA 2.880 65.996 63.100 0.026 0.000 0.880 215 P CB -0.190 31.525 31.700 0.024 0.000 0.790 216 S N -1.238 114.485 115.700 0.038 0.000 2.442 216 S HA -0.122 4.347 4.470 -0.002 0.000 0.236 216 S C 1.764 176.393 174.600 0.049 0.000 1.007 216 S CA 1.864 60.092 58.200 0.047 0.000 0.965 216 S CB -1.708 61.527 63.200 0.058 0.000 0.773 216 S HN 0.404 nan 8.310 nan 0.000 0.504 217 T N -1.719 112.860 114.554 0.042 0.000 3.001 217 T HA 0.267 4.615 4.350 -0.002 0.000 0.251 217 T C 0.484 175.198 174.700 0.023 0.000 1.040 217 T CA -0.318 61.804 62.100 0.037 0.000 0.985 217 T CB -0.450 68.441 68.868 0.039 0.000 1.011 217 T HN 0.422 nan 8.240 nan 0.000 0.509 218 K N 2.774 123.187 120.400 0.022 0.000 2.405 218 K HA -0.047 4.272 4.320 -0.002 0.000 0.276 218 K C -0.183 176.425 176.600 0.013 0.000 1.099 218 K CA 0.312 56.609 56.287 0.017 0.000 1.120 218 K CB -0.405 32.105 32.500 0.018 0.000 0.877 218 K HN 0.200 nan 8.250 nan 0.000 0.472 219 N N 3.447 122.152 118.700 0.008 0.000 2.721 219 N HA -0.279 4.459 4.740 -0.002 0.000 0.249 219 N C 0.614 176.125 175.510 0.002 0.000 1.072 219 N CA 1.286 54.338 53.050 0.004 0.000 0.710 219 N CB -1.107 37.384 38.487 0.007 0.000 0.993 219 N HN 0.787 nan 8.380 nan 0.000 0.547 220 M N -0.678 118.924 119.600 0.003 0.000 2.106 220 M HA -0.123 4.355 4.480 -0.002 0.000 0.259 220 M C 0.370 176.662 176.300 -0.013 0.000 1.068 220 M CA 1.630 56.931 55.300 0.002 0.000 1.100 220 M CB 0.067 32.675 32.600 0.012 0.000 1.351 220 M HN 0.099 nan 8.290 nan 0.000 0.404 221 M N 1.493 121.083 119.600 -0.017 0.000 2.206 221 M HA 0.293 4.772 4.480 -0.002 0.000 0.353 221 M C 0.151 176.441 176.300 -0.016 0.000 1.242 221 M CA -0.075 55.211 55.300 -0.023 0.000 1.179 221 M CB -0.283 32.299 32.600 -0.030 0.000 1.374 221 M HN 0.146 nan 8.290 nan 0.000 0.427 222 G N 1.109 109.901 108.800 -0.014 0.000 2.735 222 G HA2 0.653 4.611 3.960 -0.002 0.000 0.301 222 G HA3 0.653 4.611 3.960 -0.002 0.000 0.301 222 G C 0.700 175.594 174.900 -0.010 0.000 1.279 222 G CA -0.129 44.966 45.100 -0.009 0.000 1.019 222 G HN 0.632 nan 8.290 nan 0.000 0.497 223 A N 0.165 122.981 122.820 -0.008 0.000 1.894 223 A HA -0.246 4.073 4.320 -0.002 0.000 0.220 223 A C 2.300 179.872 177.584 -0.020 0.000 1.237 223 A CA 3.061 55.091 52.037 -0.011 0.000 0.660 223 A CB -0.674 18.318 19.000 -0.012 0.000 0.835 223 A HN 0.644 nan 8.150 nan 0.000 0.461 224 K N -0.089 120.298 120.400 -0.022 0.000 2.032 224 K HA -0.184 4.135 4.320 -0.002 0.000 0.209 224 K C 1.724 178.306 176.600 -0.029 0.000 1.048 224 K CA 2.328 58.598 56.287 -0.029 0.000 0.927 224 K CB -0.489 31.995 32.500 -0.027 0.000 0.712 224 K HN 0.552 nan 8.250 nan 0.000 0.441 225 E N 0.268 120.452 120.200 -0.026 0.000 2.072 225 E HA -0.049 4.300 4.350 -0.002 0.000 0.191 225 E C 2.076 178.669 176.600 -0.011 0.000 0.985 225 E CA 1.355 57.737 56.400 -0.030 0.000 0.801 225 E CB -0.213 29.464 29.700 -0.040 0.000 0.750 225 E HN 0.318 nan 8.360 nan 0.000 0.452 226 I N 1.103 121.673 120.570 0.000 0.000 2.163 226 I HA -0.306 3.862 4.170 -0.002 0.000 0.243 226 I C 2.341 178.507 176.117 0.081 0.000 1.085 226 I CA 1.637 62.958 61.300 0.035 0.000 1.347 226 I CB -0.731 37.288 38.000 0.033 0.000 1.044 226 I HN 0.183 nan 8.210 nan 0.000 0.408 227 S N 1.300 117.004 115.700 0.007 0.000 2.440 227 S HA -0.126 4.343 4.470 -0.002 0.000 0.238 227 S C 1.912 176.501 174.600 -0.018 0.000 1.010 227 S CA 0.934 59.083 58.200 -0.085 0.000 0.972 227 S CB -0.727 62.391 63.200 -0.137 0.000 0.774 227 S HN 0.450 nan 8.310 nan 0.000 0.501 228 L N 0.249 121.480 121.223 0.014 0.000 2.240 228 L HA 0.168 4.507 4.340 -0.002 0.000 0.211 228 L C 1.451 178.356 176.870 0.058 0.000 1.106 228 L CA 0.261 55.108 54.840 0.011 0.000 0.793 228 L CB -0.559 41.487 42.059 -0.021 0.000 0.927 228 L HN 0.321 nan 8.230 nan 0.000 0.446 229 M N 0.842 120.502 119.600 0.101 0.000 2.247 229 M HA -0.069 4.409 4.480 -0.002 0.000 0.318 229 M C 0.594 176.934 176.300 0.067 0.000 1.054 229 M CA 0.588 55.924 55.300 0.061 0.000 1.117 229 M CB 0.150 32.761 32.600 0.018 0.000 1.515 229 M HN -0.011 nan 8.290 nan 0.000 0.442 230 K N 3.566 123.949 120.400 -0.028 0.000 2.412 230 K HA 0.179 4.498 4.320 -0.002 0.000 0.281 230 K C -2.366 174.157 176.600 -0.130 0.000 1.027 230 K CA -1.368 54.895 56.287 -0.042 0.000 0.989 230 K CB 0.396 32.854 32.500 -0.070 0.000 0.935 230 K HN 0.160 nan 8.250 nan 0.000 0.475 231 P HA 0.010 nan 4.420 nan 0.000 0.265 231 P C 0.265 177.455 177.300 -0.183 0.000 1.193 231 P CA 0.643 63.634 63.100 -0.181 0.000 0.765 231 P CB 0.700 32.437 31.700 0.062 0.000 0.823 232 G N 1.366 110.025 108.800 -0.235 0.000 2.176 232 G HA2 -0.209 3.749 3.960 -0.002 0.000 0.232 232 G HA3 -0.209 3.749 3.960 -0.002 0.000 0.232 232 G C 0.376 175.195 174.900 -0.135 0.000 0.986 232 G CA 0.261 45.287 45.100 -0.123 0.000 0.643 232 G HN 0.806 nan 8.290 nan 0.000 0.522 233 S N -0.446 115.141 115.700 -0.187 0.000 2.671 233 S HA 0.857 5.326 4.470 -0.002 0.000 0.272 233 S C 0.067 174.601 174.600 -0.111 0.000 1.174 233 S CA -0.488 57.628 58.200 -0.140 0.000 1.004 233 S CB 1.616 64.733 63.200 -0.139 0.000 1.077 233 S HN 0.909 nan 8.310 nan 0.000 0.553 234 L N 0.357 121.534 121.223 -0.076 0.000 2.381 234 L HA 0.678 5.017 4.340 -0.002 0.000 0.268 234 L C -1.128 175.712 176.870 -0.049 0.000 0.997 234 L CA -0.973 53.833 54.840 -0.056 0.000 0.818 234 L CB 1.646 43.688 42.059 -0.027 0.000 1.310 234 L HN 0.605 nan 8.230 nan 0.000 0.416 235 L N 3.379 124.570 121.223 -0.053 0.000 2.333 235 L HA 0.684 5.022 4.340 -0.002 0.000 0.280 235 L C -1.033 175.805 176.870 -0.053 0.000 1.004 235 L CA -0.007 54.802 54.840 -0.052 0.000 0.820 235 L CB 1.442 43.465 42.059 -0.059 0.000 1.247 235 L HN 0.450 nan 8.230 nan 0.000 0.416 236 I N 4.929 125.465 120.570 -0.055 0.000 2.465 236 I HA 0.399 4.568 4.170 -0.002 0.000 0.291 236 I C -0.601 175.446 176.117 -0.117 0.000 1.014 236 I CA -0.483 60.778 61.300 -0.065 0.000 1.093 236 I CB 1.879 39.862 38.000 -0.029 0.000 1.267 236 I HN 0.666 nan 8.210 nan 0.000 0.431 237 N N 5.296 123.911 118.700 -0.141 0.000 2.617 237 N HA 0.478 5.217 4.740 -0.002 0.000 0.263 237 N C -0.495 174.887 175.510 -0.212 0.000 1.074 237 N CA -0.165 52.769 53.050 -0.194 0.000 0.841 237 N CB 1.529 39.908 38.487 -0.181 0.000 1.221 237 N HN 0.760 nan 8.380 nan 0.000 0.529 238 A N 2.343 125.044 122.820 -0.199 0.000 2.630 238 A HA 0.162 4.480 4.320 -0.002 0.000 0.290 238 A C 1.268 178.779 177.584 -0.121 0.000 1.267 238 A CA -0.168 51.781 52.037 -0.147 0.000 0.950 238 A CB -0.127 18.851 19.000 -0.037 0.000 1.144 238 A HN 0.656 nan 8.150 nan 0.000 0.527 239 S N -0.014 115.590 115.700 -0.160 0.000 2.477 239 S HA 0.388 4.857 4.470 -0.002 0.000 0.162 239 S C 0.641 175.178 174.600 -0.106 0.000 0.909 239 S CA 0.091 58.240 58.200 -0.086 0.000 1.147 239 S CB 0.120 63.268 63.200 -0.086 0.000 0.740 239 S HN 0.267 nan 8.310 nan 0.000 0.478 240 R N 0.395 120.834 120.500 -0.102 0.000 2.750 240 R HA 0.561 4.900 4.340 -0.002 0.000 0.281 240 R C 0.907 177.140 176.300 -0.111 0.000 0.972 240 R CA -0.273 55.774 56.100 -0.088 0.000 0.912 240 R CB 0.911 31.192 30.300 -0.031 0.000 1.187 240 R HN 0.640 nan 8.270 nan 0.000 0.464 241 G N -0.281 108.460 108.800 -0.098 0.000 2.776 241 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.209 241 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.209 241 G C 0.817 175.699 174.900 -0.030 0.000 1.145 241 G CA 1.128 46.176 45.100 -0.086 0.000 0.791 241 G HN 0.619 nan 8.290 nan 0.000 0.530 242 T N -3.716 110.824 114.554 -0.023 0.000 3.040 242 T HA 0.225 4.573 4.350 -0.002 0.000 0.266 242 T C 1.733 176.430 174.700 -0.006 0.000 1.005 242 T CA 0.391 62.491 62.100 -0.000 0.000 0.906 242 T CB 0.657 69.531 68.868 0.010 0.000 1.082 242 T HN -0.073 nan 8.240 nan 0.000 0.531 243 V N 1.042 120.941 119.914 -0.024 0.000 3.174 243 V HA 0.308 4.427 4.120 -0.002 0.000 0.254 243 V C 0.833 176.911 176.094 -0.026 0.000 1.120 243 V CA 0.275 62.561 62.300 -0.022 0.000 1.114 243 V CB 0.495 32.297 31.823 -0.035 0.000 0.756 243 V HN 0.411 nan 8.190 nan 0.000 0.467 244 V N 0.432 120.325 119.914 -0.035 0.000 2.715 244 V HA 0.425 4.544 4.120 -0.002 0.000 0.310 244 V C -0.750 175.337 176.094 -0.011 0.000 1.054 244 V CA -0.827 61.454 62.300 -0.030 0.000 0.928 244 V CB 2.080 33.874 31.823 -0.049 0.000 1.007 244 V HN 0.270 nan 8.190 nan 0.000 0.437 245 D N 2.853 123.251 120.400 -0.004 0.000 2.339 245 D HA 0.244 4.883 4.640 -0.002 0.000 0.241 245 D C 0.894 177.204 176.300 0.017 0.000 1.183 245 D CA -0.323 53.682 54.000 0.009 0.000 0.859 245 D CB 0.927 41.731 40.800 0.006 0.000 1.067 245 D HN 0.231 nan 8.370 nan 0.000 0.484 246 I N 5.849 126.440 120.570 0.036 0.000 2.202 246 I HA -0.100 4.069 4.170 -0.002 0.000 0.242 246 I C -0.688 175.456 176.117 0.046 0.000 1.091 246 I CA 0.440 61.772 61.300 0.053 0.000 1.368 246 I CB -2.230 35.828 38.000 0.096 0.000 1.058 246 I HN 0.436 nan 8.210 nan 0.000 0.410 247 P HA -0.108 nan 4.420 nan 0.000 0.218 247 P C 1.591 178.911 177.300 0.033 0.000 1.148 247 P CA 1.827 64.952 63.100 0.042 0.000 0.822 247 P CB 0.004 31.724 31.700 0.033 0.000 0.784 248 A N -1.049 121.783 122.820 0.021 0.000 2.014 248 A HA -0.098 4.221 4.320 -0.002 0.000 0.218 248 A C 2.049 179.637 177.584 0.006 0.000 1.163 248 A CA 1.054 53.099 52.037 0.013 0.000 0.652 248 A CB -1.373 17.631 19.000 0.006 0.000 0.808 248 A HN 0.181 nan 8.150 nan 0.000 0.449 249 L N -0.510 120.710 121.223 -0.005 0.000 2.095 249 L HA 0.164 4.502 4.340 -0.002 0.000 0.204 249 L C 2.560 179.382 176.870 -0.080 0.000 1.080 249 L CA 1.914 56.731 54.840 -0.038 0.000 0.759 249 L CB -0.891 41.142 42.059 -0.043 0.000 0.914 249 L HN 0.284 nan 8.230 nan 0.000 0.439 250 A N -0.030 122.766 122.820 -0.041 0.000 1.869 250 A HA -0.300 4.019 4.320 -0.002 0.000 0.218 250 A C 1.987 179.598 177.584 0.045 0.000 1.203 250 A CA 2.325 54.358 52.037 -0.007 0.000 0.638 250 A CB -1.182 17.891 19.000 0.122 0.000 0.831 250 A HN 0.567 nan 8.150 nan 0.000 0.450 251 D N -0.145 120.293 120.400 0.063 0.000 2.123 251 D HA -0.050 4.589 4.640 -0.002 0.000 0.196 251 D C 2.161 178.496 176.300 0.058 0.000 0.992 251 D CA 1.644 55.690 54.000 0.076 0.000 0.833 251 D CB -0.528 40.302 40.800 0.051 0.000 0.954 251 D HN 0.471 nan 8.370 nan 0.000 0.455 252 A N 0.311 123.147 122.820 0.027 0.000 1.969 252 A HA -0.065 4.254 4.320 -0.002 0.000 0.218 252 A C 2.333 179.930 177.584 0.021 0.000 1.169 252 A CA 0.689 52.760 52.037 0.057 0.000 0.635 252 A CB -0.638 18.412 19.000 0.083 0.000 0.810 252 A HN 0.188 nan 8.150 nan 0.000 0.445 253 L N -0.780 120.378 121.223 -0.108 0.000 2.027 253 L HA -0.186 4.153 4.340 -0.002 0.000 0.206 253 L C 3.126 180.025 176.870 0.048 0.000 1.074 253 L CA 1.049 55.755 54.840 -0.222 0.000 0.745 253 L CB -0.552 41.012 42.059 -0.824 0.000 0.898 253 L HN 0.426 nan 8.230 nan 0.000 0.433 254 A N 0.151 123.097 122.820 0.211 0.000 1.917 254 A HA -0.242 4.077 4.320 -0.002 0.000 0.219 254 A C 2.349 180.041 177.584 0.180 0.000 1.182 254 A CA 2.220 54.455 52.037 0.329 0.000 0.633 254 A CB -0.770 18.399 19.000 0.283 0.000 0.819 254 A HN 0.535 nan 8.150 nan 0.000 0.448 255 S N -1.380 114.397 115.700 0.129 0.000 2.650 255 S HA 0.142 4.611 4.470 -0.002 0.000 0.219 255 S C 0.655 175.322 174.600 0.111 0.000 0.960 255 S CA 0.653 58.917 58.200 0.106 0.000 0.925 255 S CB -0.353 62.898 63.200 0.086 0.000 0.775 255 S HN 0.549 nan 8.310 nan 0.000 0.525 256 K N -0.503 119.964 120.400 0.111 0.000 3.130 256 K HA -0.302 4.017 4.320 -0.002 0.000 0.282 256 K C 0.638 177.284 176.600 0.077 0.000 1.145 256 K CA 1.101 57.439 56.287 0.085 0.000 0.831 256 K CB -2.072 30.477 32.500 0.081 0.000 1.226 256 K HN 0.700 nan 8.250 nan 0.000 0.478 257 H N 0.348 119.424 119.070 0.010 0.000 2.395 257 H HA 0.150 4.704 4.556 -0.002 0.000 0.299 257 H C 0.581 175.902 175.328 -0.012 0.000 1.070 257 H CA 1.288 57.336 56.048 -0.001 0.000 1.356 257 H CB 0.318 30.075 29.762 -0.007 0.000 1.401 257 H HN 0.207 nan 8.280 nan 0.000 0.524 258 L N -0.003 121.109 121.223 -0.184 0.000 2.379 258 L HA 0.400 4.738 4.340 -0.002 0.000 0.269 258 L C 1.107 177.916 176.870 -0.102 0.000 1.084 258 L CA -0.196 54.523 54.840 -0.201 0.000 0.802 258 L CB 1.568 43.539 42.059 -0.147 0.000 1.175 258 L HN 0.184 nan 8.230 nan 0.000 0.448 259 A N 1.381 124.154 122.820 -0.078 0.000 2.308 259 A HA 0.588 4.906 4.320 -0.002 0.000 0.217 259 A C 0.675 178.253 177.584 -0.010 0.000 1.216 259 A CA 0.566 52.593 52.037 -0.017 0.000 0.864 259 A CB -0.072 18.939 19.000 0.019 0.000 0.902 259 A HN 0.896 nan 8.150 nan 0.000 0.499 260 G N -2.696 106.077 108.800 -0.045 0.000 2.320 260 G HA2 0.634 4.593 3.960 -0.002 0.000 0.297 260 G HA3 0.634 4.593 3.960 -0.002 0.000 0.297 260 G C -1.206 173.660 174.900 -0.057 0.000 1.344 260 G CA 0.101 45.177 45.100 -0.040 0.000 0.851 260 G HN 1.441 nan 8.290 nan 0.000 0.567 261 A N -1.458 121.336 122.820 -0.043 0.000 2.608 261 A HA 1.048 5.366 4.320 -0.002 0.000 0.292 261 A C -0.641 176.935 177.584 -0.013 0.000 1.066 261 A CA 0.365 52.377 52.037 -0.043 0.000 0.676 261 A CB 1.158 20.115 19.000 -0.072 0.000 1.277 261 A HN 2.574 nan 8.150 nan 0.000 0.413 262 A N 1.276 124.083 122.820 -0.020 0.000 2.356 262 A HA 0.753 5.071 4.320 -0.002 0.000 0.310 262 A C -1.035 176.521 177.584 -0.047 0.000 1.075 262 A CA -0.368 51.663 52.037 -0.009 0.000 0.746 262 A CB 0.702 19.699 19.000 -0.006 0.000 1.221 262 A HN 0.812 nan 8.150 nan 0.000 0.443 263 I N 2.316 122.860 120.570 -0.043 0.000 2.466 263 I HA 0.306 4.474 4.170 -0.002 0.000 0.289 263 I C -0.081 175.889 176.117 -0.244 0.000 1.026 263 I CA -0.163 61.028 61.300 -0.181 0.000 1.078 263 I CB 1.834 39.739 38.000 -0.158 0.000 1.249 263 I HN 0.862 nan 8.210 nan 0.000 0.429 264 D N 4.248 124.426 120.400 -0.369 0.000 2.417 264 D HA 0.155 4.794 4.640 -0.002 0.000 0.207 264 D C -0.121 175.857 176.300 -0.537 0.000 1.075 264 D CA 0.567 54.388 54.000 -0.297 0.000 0.851 264 D CB 0.895 41.590 40.800 -0.175 0.000 0.976 264 D HN 0.316 nan 8.370 nan 0.000 0.505 265 V N -1.587 117.781 119.914 -0.911 0.000 2.888 265 V HA 0.686 4.805 4.120 -0.002 0.000 0.309 265 V C -0.969 174.552 176.094 -0.954 0.000 1.114 265 V CA -1.068 60.771 62.300 -0.768 0.000 0.940 265 V CB 1.438 32.923 31.823 -0.563 0.000 1.021 265 V HN -0.124 nan 8.190 nan 0.000 0.426 266 F N 1.377 121.332 119.950 0.007 0.000 2.603 266 F HA 0.703 5.230 4.527 -0.001 0.000 0.317 266 F C -1.861 173.971 175.800 0.054 0.000 1.066 266 F CA -2.244 55.795 58.000 0.065 0.000 0.941 266 F CB 1.976 41.074 39.000 0.163 0.000 1.291 266 F HN 0.293 nan 8.300 nan 0.000 0.472 267 P HA -0.060 nan 4.420 nan 0.000 0.219 267 P C -0.205 177.181 177.300 0.143 0.000 1.146 267 P CA 1.487 64.666 63.100 0.131 0.000 0.808 267 P CB 0.171 31.933 31.700 0.104 0.000 0.779 268 T N 0.377 115.045 114.554 0.189 0.000 2.937 268 T HA 0.299 4.647 4.350 -0.002 0.000 0.297 268 T C -0.673 174.152 174.700 0.209 0.000 0.991 268 T CA -0.613 61.580 62.100 0.154 0.000 0.990 268 T CB 1.640 70.564 68.868 0.093 0.000 0.991 268 T HN -0.099 nan 8.240 nan 0.000 0.440 269 E N 2.963 123.286 120.200 0.206 0.000 2.191 269 E HA 0.457 4.806 4.350 -0.002 0.000 0.274 269 E C -2.283 174.413 176.600 0.160 0.000 0.948 269 E CA -2.186 54.355 56.400 0.235 0.000 0.802 269 E CB 1.123 30.987 29.700 0.272 0.000 1.137 269 E HN 0.327 nan 8.360 nan 0.000 0.397 270 P HA -0.037 nan 4.420 nan 0.000 0.267 270 P C -0.108 177.245 177.300 0.088 0.000 1.200 270 P CA 0.140 63.305 63.100 0.108 0.000 0.772 270 P CB 0.703 32.469 31.700 0.110 0.000 0.855 271 A N 1.959 124.822 122.820 0.071 0.000 2.014 271 A HA 0.098 4.417 4.320 -0.002 0.000 0.218 271 A C 0.871 178.487 177.584 0.053 0.000 1.163 271 A CA 1.715 53.792 52.037 0.067 0.000 0.652 271 A CB -0.634 18.406 19.000 0.066 0.000 0.808 271 A HN 0.679 nan 8.150 nan 0.000 0.449 272 T N -5.568 109.013 114.554 0.044 0.000 2.821 272 T HA 0.309 4.657 4.350 -0.002 0.000 0.306 272 T C 0.206 174.923 174.700 0.028 0.000 1.313 272 T CA -0.239 61.880 62.100 0.032 0.000 1.012 272 T CB 0.742 69.626 68.868 0.026 0.000 1.298 272 T HN 0.199 nan 8.240 nan 0.000 0.502 273 N N 0.277 118.987 118.700 0.018 0.000 2.334 273 N HA -0.136 4.603 4.740 -0.002 0.000 0.187 273 N C 1.561 177.081 175.510 0.018 0.000 1.016 273 N CA 1.154 54.212 53.050 0.013 0.000 0.879 273 N CB -0.103 38.388 38.487 0.007 0.000 0.965 273 N HN 0.478 nan 8.380 nan 0.000 0.438 274 S N 0.060 115.771 115.700 0.019 0.000 2.446 274 S HA -0.002 4.466 4.470 -0.002 0.000 0.225 274 S C 0.445 175.059 174.600 0.023 0.000 1.016 274 S CA 0.372 58.582 58.200 0.018 0.000 0.943 274 S CB 0.128 63.336 63.200 0.013 0.000 0.786 274 S HN 0.272 nan 8.310 nan 0.000 0.508 275 D N 2.281 122.699 120.400 0.030 0.000 2.361 275 D HA 0.235 4.873 4.640 -0.002 0.000 0.239 275 D C -2.273 174.057 176.300 0.050 0.000 1.200 275 D CA -0.837 53.185 54.000 0.036 0.000 0.915 275 D CB 0.289 41.114 40.800 0.043 0.000 1.170 275 D HN 0.138 nan 8.370 nan 0.000 0.444 276 P HA 0.339 nan 4.420 nan 0.000 0.290 276 P C -1.126 176.230 177.300 0.093 0.000 1.283 276 P CA -0.643 62.492 63.100 0.058 0.000 0.869 276 P CB 0.769 32.481 31.700 0.020 0.000 1.100 277 F N 1.047 120.961 119.950 -0.060 0.000 2.482 277 F HA 0.641 5.167 4.527 -0.002 0.000 0.331 277 F C -0.880 174.855 175.800 -0.108 0.000 1.115 277 F CA -0.209 57.728 58.000 -0.105 0.000 0.955 277 F CB 1.945 40.861 39.000 -0.139 0.000 1.136 277 F HN 0.277 nan 8.300 nan 0.000 0.452 278 T N 4.344 118.395 114.554 -0.838 0.000 2.912 278 T HA 0.659 5.008 4.350 -0.002 0.000 0.299 278 T C -1.676 172.497 174.700 -0.878 0.000 1.052 278 T CA -0.418 61.237 62.100 -0.742 0.000 0.996 278 T CB 1.224 69.894 68.868 -0.329 0.000 1.070 278 T HN 0.860 nan 8.240 nan 0.000 0.465 279 S N 3.417 118.714 115.700 -0.673 0.000 2.535 279 S HA 0.576 5.045 4.470 -0.002 0.000 0.272 279 S C -2.362 172.149 174.600 -0.150 0.000 1.149 279 S CA -1.034 56.924 58.200 -0.404 0.000 0.888 279 S CB 1.754 64.687 63.200 -0.444 0.000 1.110 279 S HN 0.558 nan 8.310 nan 0.000 0.463 280 P HA 0.165 nan 4.420 nan 0.000 0.237 280 P C 0.953 178.359 177.300 0.176 0.000 1.178 280 P CA 0.443 63.574 63.100 0.052 0.000 0.766 280 P CB -0.015 31.732 31.700 0.078 0.000 0.876 281 L N -1.252 120.088 121.223 0.194 0.000 2.375 281 L HA 0.134 4.473 4.340 -0.002 0.000 0.215 281 L C 2.351 179.429 176.870 0.346 0.000 1.108 281 L CA 0.628 55.677 54.840 0.347 0.000 0.830 281 L CB -0.957 41.251 42.059 0.248 0.000 0.959 281 L HN -0.099 nan 8.230 nan 0.000 0.457 282 A N 0.644 123.573 122.820 0.183 0.000 2.139 282 A HA -0.209 4.109 4.320 -0.002 0.000 0.221 282 A C 1.984 179.626 177.584 0.097 0.000 1.159 282 A CA 1.426 53.549 52.037 0.144 0.000 0.662 282 A CB -0.420 18.620 19.000 0.067 0.000 0.796 282 A HN 0.531 nan 8.150 nan 0.000 0.463 283 E N -1.531 118.698 120.200 0.047 0.000 2.516 283 E HA 0.004 4.352 4.350 -0.002 0.000 0.199 283 E C -0.837 175.604 176.600 -0.265 0.000 1.069 283 E CA 0.018 56.332 56.400 -0.142 0.000 0.876 283 E CB -0.076 29.448 29.700 -0.293 0.000 0.843 283 E HN 0.694 nan 8.360 nan 0.000 0.530 284 F N 1.048 121.023 119.950 0.041 0.000 2.402 284 F HA 0.164 4.690 4.527 -0.002 0.000 0.355 284 F C 0.972 176.800 175.800 0.046 0.000 1.123 284 F CA -0.916 57.109 58.000 0.042 0.000 1.021 284 F CB 1.349 40.378 39.000 0.047 0.000 1.160 284 F HN -0.252 nan 8.300 nan 0.000 0.451 285 D N 1.273 121.787 120.400 0.190 0.000 2.149 285 D HA -0.207 4.432 4.640 -0.002 0.000 0.198 285 D C 1.233 177.617 176.300 0.140 0.000 0.990 285 D CA 1.536 55.616 54.000 0.134 0.000 0.839 285 D CB -0.185 40.669 40.800 0.091 0.000 0.948 285 D HN 0.678 nan 8.370 nan 0.000 0.460 286 N N -0.279 118.527 118.700 0.176 0.000 2.389 286 N HA 0.130 4.869 4.740 -0.002 0.000 0.237 286 N C -0.840 174.723 175.510 0.089 0.000 1.148 286 N CA -0.249 52.871 53.050 0.117 0.000 0.854 286 N CB 0.635 39.185 38.487 0.106 0.000 1.115 286 N HN -0.180 nan 8.380 nan 0.000 0.492 287 V N 1.506 121.490 119.914 0.116 0.000 2.483 287 V HA 0.255 4.373 4.120 -0.002 0.000 0.297 287 V C -0.026 176.125 176.094 0.097 0.000 1.027 287 V CA -0.822 61.528 62.300 0.083 0.000 0.855 287 V CB 1.941 33.818 31.823 0.091 0.000 0.995 287 V HN 0.323 nan 8.190 nan 0.000 0.424 288 L N 5.778 127.043 121.223 0.070 0.000 2.418 288 L HA 0.286 4.624 4.340 -0.002 0.000 0.274 288 L C -0.772 176.160 176.870 0.104 0.000 1.135 288 L CA -0.129 54.754 54.840 0.071 0.000 0.870 288 L CB 0.653 42.740 42.059 0.046 0.000 1.154 288 L HN 0.371 nan 8.230 nan 0.000 0.462 289 L N 3.940 125.239 121.223 0.125 0.000 2.349 289 L HA 0.510 4.849 4.340 -0.002 0.000 0.278 289 L C 0.214 177.148 176.870 0.106 0.000 0.996 289 L CA -0.175 54.783 54.840 0.197 0.000 0.825 289 L CB 1.845 44.041 42.059 0.228 0.000 1.243 289 L HN 0.599 nan 8.230 nan 0.000 0.412 290 T N 0.706 115.341 114.554 0.135 0.000 2.887 290 T HA 0.695 5.044 4.350 -0.002 0.000 0.288 290 T C -2.702 172.058 174.700 0.099 0.000 1.021 290 T CA -2.062 60.074 62.100 0.061 0.000 1.000 290 T CB 2.105 70.999 68.868 0.044 0.000 1.034 290 T HN 0.357 nan 8.240 nan 0.000 0.467 291 P HA 0.226 nan 4.420 nan 0.000 0.214 291 P C -0.137 177.274 177.300 0.185 0.000 1.826 291 P CA -0.007 63.124 63.100 0.052 0.000 0.977 291 P CB -1.302 30.366 31.700 -0.054 0.000 1.930 292 H N 1.710 120.821 119.070 0.068 0.000 2.765 292 H HA -0.139 4.416 4.556 -0.003 0.000 0.332 292 H C 0.338 175.675 175.328 0.016 0.000 1.180 292 H CA -0.038 56.029 56.048 0.031 0.000 1.142 292 H CB -0.856 28.936 29.762 0.052 0.000 1.576 292 H HN 0.446 nan 8.280 nan 0.000 0.420 293 I N -2.500 118.177 120.570 0.179 0.000 4.240 293 I HA 0.364 4.533 4.170 -0.002 0.000 0.331 293 I C 2.019 178.193 176.117 0.094 0.000 1.381 293 I CA 0.276 61.642 61.300 0.110 0.000 1.136 293 I CB 0.386 38.424 38.000 0.063 0.000 1.137 293 I HN 0.314 nan 8.210 nan 0.000 0.411 294 G N 2.085 110.947 108.800 0.103 0.000 2.550 294 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.222 294 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.222 294 G C 1.419 176.365 174.900 0.078 0.000 1.113 294 G CA 1.112 46.258 45.100 0.077 0.000 0.748 294 G HN 0.576 nan 8.290 nan 0.000 0.585 295 G N -0.741 108.120 108.800 0.101 0.000 2.985 295 G HA2 0.262 4.221 3.960 -0.002 0.000 0.209 295 G HA3 0.262 4.221 3.960 -0.002 0.000 0.209 295 G C 0.698 175.623 174.900 0.042 0.000 1.165 295 G CA 0.404 45.542 45.100 0.064 0.000 0.776 295 G HN 0.315 nan 8.290 nan 0.000 0.541 296 S N 1.227 116.954 115.700 0.044 0.000 3.315 296 S HA 0.422 4.891 4.470 -0.002 0.000 0.195 296 S C 0.236 174.856 174.600 0.034 0.000 1.394 296 S CA -0.467 57.753 58.200 0.033 0.000 0.983 296 S CB 0.321 63.538 63.200 0.029 0.000 1.370 296 S HN 0.510 nan 8.310 nan 0.000 0.491 297 T N -0.788 113.787 114.554 0.034 0.000 2.916 297 T HA 0.397 4.746 4.350 -0.002 0.000 0.292 297 T C 0.844 175.570 174.700 0.045 0.000 1.064 297 T CA -0.846 61.274 62.100 0.034 0.000 1.011 297 T CB 1.265 70.147 68.868 0.023 0.000 1.152 297 T HN 0.045 nan 8.240 nan 0.000 0.510 298 Q N 0.424 120.257 119.800 0.055 0.000 2.224 298 Q HA -0.074 4.264 4.340 -0.002 0.000 0.203 298 Q C 1.719 177.729 176.000 0.016 0.000 0.970 298 Q CA 1.552 57.409 55.803 0.091 0.000 0.865 298 Q CB -0.218 28.593 28.738 0.121 0.000 0.922 298 Q HN 0.774 nan 8.270 nan 0.000 0.445 299 E N 0.943 121.137 120.200 -0.010 0.000 2.047 299 E HA -0.083 4.266 4.350 -0.002 0.000 0.191 299 E C 1.907 178.464 176.600 -0.071 0.000 0.987 299 E CA 1.261 57.627 56.400 -0.057 0.000 0.799 299 E CB -0.387 29.294 29.700 -0.031 0.000 0.752 299 E HN 0.351 nan 8.360 nan 0.000 0.449 300 A N 1.010 123.813 122.820 -0.029 0.000 1.877 300 A HA -0.249 4.070 4.320 -0.002 0.000 0.216 300 A C 2.076 179.649 177.584 -0.018 0.000 1.186 300 A CA 1.425 53.450 52.037 -0.019 0.000 0.620 300 A CB -0.534 18.468 19.000 0.003 0.000 0.822 300 A HN 0.114 nan 8.150 nan 0.000 0.443 301 Q N -0.481 119.326 119.800 0.012 0.000 2.133 301 Q HA -0.268 4.071 4.340 -0.002 0.000 0.208 301 Q C 2.010 177.978 176.000 -0.054 0.000 0.991 301 Q CA 2.104 57.945 55.803 0.064 0.000 0.867 301 Q CB -0.393 28.456 28.738 0.186 0.000 0.911 301 Q HN 0.913 nan 8.270 nan 0.000 0.417 302 E N 0.496 120.485 120.200 -0.352 0.000 2.028 302 E HA -0.154 4.195 4.350 -0.002 0.000 0.190 302 E C 1.598 178.066 176.600 -0.221 0.000 0.984 302 E CA 0.927 56.938 56.400 -0.648 0.000 0.800 302 E CB -0.015 29.189 29.700 -0.827 0.000 0.758 302 E HN 0.471 nan 8.360 nan 0.000 0.448 303 N N 0.579 119.198 118.700 -0.135 0.000 2.060 303 N HA -0.220 4.519 4.740 -0.002 0.000 0.195 303 N C 2.079 177.570 175.510 -0.031 0.000 1.028 303 N CA 1.612 54.623 53.050 -0.065 0.000 0.861 303 N CB -0.225 38.236 38.487 -0.043 0.000 1.029 303 N HN 0.202 nan 8.380 nan 0.000 0.428 304 I N 0.857 121.424 120.570 -0.006 0.000 2.179 304 I HA -0.190 3.979 4.170 -0.002 0.000 0.242 304 I C 2.659 178.843 176.117 0.112 0.000 1.088 304 I CA 1.133 62.451 61.300 0.031 0.000 1.357 304 I CB -0.740 37.302 38.000 0.071 0.000 1.051 304 I HN 0.247 nan 8.210 nan 0.000 0.409 305 G N 1.147 110.067 108.800 0.200 0.000 2.491 305 G HA2 -0.254 3.704 3.960 -0.002 0.000 0.218 305 G HA3 -0.254 3.704 3.960 -0.002 0.000 0.218 305 G C 1.677 176.712 174.900 0.226 0.000 1.180 305 G CA 0.776 46.083 45.100 0.346 0.000 0.774 305 G HN 0.275 nan 8.290 nan 0.000 0.562 306 L N -0.108 121.162 121.223 0.079 0.000 2.017 306 L HA -0.076 4.263 4.340 -0.002 0.000 0.208 306 L C 2.840 179.697 176.870 -0.020 0.000 1.073 306 L CA 1.652 56.507 54.840 0.025 0.000 0.745 306 L CB -0.417 41.636 42.059 -0.011 0.000 0.894 306 L HN 0.377 nan 8.230 nan 0.000 0.432 307 E N -0.027 120.143 120.200 -0.050 0.000 2.028 307 E HA -0.173 4.176 4.350 -0.002 0.000 0.190 307 E C 2.275 178.762 176.600 -0.188 0.000 0.984 307 E CA 1.191 57.532 56.400 -0.098 0.000 0.800 307 E CB 0.162 29.812 29.700 -0.085 0.000 0.758 307 E HN 0.194 nan 8.360 nan 0.000 0.448 308 V N 1.236 120.979 119.914 -0.286 0.000 2.490 308 V HA -0.234 3.884 4.120 -0.002 0.000 0.250 308 V C 2.359 178.163 176.094 -0.483 0.000 1.061 308 V CA 1.697 63.685 62.300 -0.520 0.000 1.064 308 V CB -0.499 30.785 31.823 -0.898 0.000 0.670 308 V HN 0.398 nan 8.190 nan 0.000 0.461 309 A N 0.200 122.889 122.820 -0.220 0.000 1.930 309 A HA -0.062 4.257 4.320 -0.002 0.000 0.217 309 A C 2.373 179.879 177.584 -0.130 0.000 1.175 309 A CA 1.766 53.794 52.037 -0.015 0.000 0.627 309 A CB -0.978 18.116 19.000 0.157 0.000 0.815 309 A HN 0.530 nan 8.150 nan 0.000 0.443 310 G N -0.531 108.186 108.800 -0.138 0.000 2.421 310 G HA2 -0.167 3.791 3.960 -0.002 0.000 0.217 310 G HA3 -0.167 3.791 3.960 -0.002 0.000 0.217 310 G C 1.648 176.410 174.900 -0.229 0.000 1.143 310 G CA 0.976 45.989 45.100 -0.145 0.000 0.784 310 G HN 0.554 nan 8.290 nan 0.000 0.541 311 K N -0.231 119.961 120.400 -0.346 0.000 2.097 311 K HA 0.118 4.436 4.320 -0.002 0.000 0.205 311 K C 2.426 178.574 176.600 -0.753 0.000 1.050 311 K CA 0.593 56.516 56.287 -0.607 0.000 0.938 311 K CB -0.194 31.829 32.500 -0.795 0.000 0.718 311 K HN 0.267 nan 8.250 nan 0.000 0.442 312 L N 0.498 121.408 121.223 -0.523 0.000 2.056 312 L HA -0.145 4.193 4.340 -0.002 0.000 0.207 312 L C 2.248 178.934 176.870 -0.308 0.000 1.078 312 L CA 0.962 55.606 54.840 -0.327 0.000 0.749 312 L CB -0.412 41.519 42.059 -0.215 0.000 0.901 312 L HN 0.146 nan 8.230 nan 0.000 0.433 313 I N 0.107 120.511 120.570 -0.277 0.000 2.163 313 I HA -0.327 3.841 4.170 -0.002 0.000 0.243 313 I C 2.587 178.654 176.117 -0.083 0.000 1.085 313 I CA 1.575 62.748 61.300 -0.211 0.000 1.347 313 I CB -0.235 37.703 38.000 -0.104 0.000 1.044 313 I HN 0.187 nan 8.210 nan 0.000 0.408 314 K N -0.309 120.042 120.400 -0.082 0.000 2.026 314 K HA -0.246 4.073 4.320 -0.002 0.000 0.208 314 K C 2.213 178.859 176.600 0.076 0.000 1.048 314 K CA 1.690 57.972 56.287 -0.008 0.000 0.929 314 K CB -0.423 32.056 32.500 -0.035 0.000 0.713 314 K HN 0.209 nan 8.250 nan 0.000 0.439 315 Y N 1.335 121.596 120.300 -0.064 0.000 2.165 315 Y HA -0.274 4.274 4.550 -0.002 0.000 0.286 315 Y C 2.615 178.601 175.900 0.144 0.000 1.155 315 Y CA 1.628 59.773 58.100 0.076 0.000 1.164 315 Y CB -0.478 38.066 38.460 0.140 0.000 0.978 315 Y HN -0.009 nan 8.280 nan 0.000 0.513 316 S N -0.846 114.921 115.700 0.111 0.000 2.406 316 S HA -0.139 4.329 4.470 -0.002 0.000 0.228 316 S C 1.682 176.374 174.600 0.152 0.000 1.020 316 S CA 1.581 59.858 58.200 0.128 0.000 0.965 316 S CB -0.284 62.957 63.200 0.069 0.000 0.798 316 S HN 0.576 nan 8.310 nan 0.000 0.488 317 D N 0.862 121.354 120.400 0.155 0.000 2.269 317 D HA 0.055 4.694 4.640 -0.002 0.000 0.220 317 D C 1.357 177.793 176.300 0.227 0.000 0.962 317 D CA 0.832 54.953 54.000 0.201 0.000 0.884 317 D CB -0.238 40.659 40.800 0.161 0.000 1.023 317 D HN 0.698 nan 8.370 nan 0.000 0.484 318 N N -0.938 117.867 118.700 0.174 0.000 2.200 318 N HA 0.123 4.862 4.740 -0.002 0.000 0.224 318 N C 1.086 176.684 175.510 0.146 0.000 1.179 318 N CA 0.568 53.752 53.050 0.224 0.000 0.877 318 N CB 1.867 40.468 38.487 0.190 0.000 1.072 318 N HN 0.111 nan 8.380 nan 0.000 0.519 319 G N 0.973 109.827 108.800 0.090 0.000 2.179 319 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.260 319 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.260 319 G C -0.034 175.071 174.900 0.342 0.000 0.977 319 G CA 0.458 45.630 45.100 0.120 0.000 0.641 319 G HN 0.591 nan 8.290 nan 0.000 0.533 320 S N 0.504 116.370 115.700 0.277 0.000 2.533 320 S HA 0.482 4.951 4.470 -0.002 0.000 0.282 320 S C 1.441 176.300 174.600 0.433 0.000 1.304 320 S CA 1.237 59.607 58.200 0.282 0.000 1.063 320 S CB 0.775 64.067 63.200 0.154 0.000 0.881 320 S HN 1.301 nan 8.310 nan 0.000 0.493 321 T N 3.631 118.417 114.554 0.388 0.000 3.215 321 T HA 0.249 4.598 4.350 -0.002 0.000 0.271 321 T C 0.218 175.050 174.700 0.219 0.000 1.012 321 T CA -0.561 61.703 62.100 0.274 0.000 0.899 321 T CB -0.252 68.638 68.868 0.036 0.000 1.089 321 T HN 0.489 nan 8.240 nan 0.000 0.552 322 L N 3.227 124.572 121.223 0.204 0.000 2.615 322 L HA 0.346 4.684 4.340 -0.002 0.000 0.271 322 L C 1.062 178.046 176.870 0.189 0.000 1.183 322 L CA 1.711 56.640 54.840 0.148 0.000 0.933 322 L CB -0.200 41.925 42.059 0.110 0.000 1.199 322 L HN 0.795 nan 8.230 nan 0.000 0.487 323 S N 2.092 117.872 115.700 0.133 0.000 2.659 323 S HA -0.185 4.283 4.470 -0.002 0.000 0.264 323 S C 0.535 175.171 174.600 0.061 0.000 1.310 323 S CA 0.408 58.676 58.200 0.113 0.000 1.262 323 S CB -2.433 60.845 63.200 0.130 0.000 1.548 323 S HN 2.077 nan 8.310 nan 0.000 0.657 324 A N 0.985 123.786 122.820 -0.032 0.000 2.587 324 A HA 0.525 4.844 4.320 -0.002 0.000 0.233 324 A C 1.379 178.840 177.584 -0.206 0.000 1.049 324 A CA 0.644 52.431 52.037 -0.416 0.000 0.754 324 A CB 0.350 18.978 19.000 -0.620 0.000 0.977 324 A HN 1.208 nan 8.150 nan 0.000 0.509 325 V N 2.005 121.772 119.914 -0.244 0.000 3.052 325 V HA -0.042 4.077 4.120 -0.002 0.000 0.254 325 V C 1.408 177.445 176.094 -0.095 0.000 1.100 325 V CA 1.826 64.045 62.300 -0.135 0.000 1.112 325 V CB -0.514 31.226 31.823 -0.138 0.000 0.738 325 V HN 1.054 nan 8.190 nan 0.000 0.469 326 N N -1.465 117.179 118.700 -0.094 0.000 2.365 326 N HA 0.170 4.908 4.740 -0.002 0.000 0.257 326 N C -0.799 174.714 175.510 0.006 0.000 1.287 326 N CA -0.186 52.834 53.050 -0.050 0.000 0.882 326 N CB 0.759 39.209 38.487 -0.061 0.000 1.250 326 N HN 0.321 nan 8.380 nan 0.000 0.507 327 F N 0.608 120.443 119.950 -0.190 0.000 2.678 327 F HA 0.514 5.040 4.527 -0.002 0.000 0.308 327 F C -2.608 173.120 175.800 -0.121 0.000 1.118 327 F CA -1.605 56.278 58.000 -0.195 0.000 0.959 327 F CB 1.972 40.778 39.000 -0.323 0.000 1.305 327 F HN -0.209 nan 8.300 nan 0.000 0.443 328 P HA 0.162 nan 4.420 nan 0.000 0.271 328 P C -1.387 176.071 177.300 0.263 0.000 1.220 328 P CA 0.042 63.209 63.100 0.111 0.000 0.768 328 P CB 0.488 32.217 31.700 0.047 0.000 0.848 329 E N 1.371 121.657 120.200 0.144 0.000 2.229 329 E HA 0.423 4.772 4.350 -0.002 0.000 0.283 329 E C -0.625 175.962 176.600 -0.021 0.000 1.030 329 E CA -0.533 55.932 56.400 0.109 0.000 0.836 329 E CB 0.908 30.656 29.700 0.081 0.000 1.068 329 E HN 0.135 nan 8.360 nan 0.000 0.401 330 V N 2.056 121.942 119.914 -0.048 0.000 3.048 330 V HA 0.481 4.599 4.120 -0.002 0.000 0.303 330 V C -0.972 174.977 176.094 -0.242 0.000 1.214 330 V CA -0.610 61.408 62.300 -0.471 0.000 0.984 330 V CB 2.464 34.016 31.823 -0.452 0.000 1.054 330 V HN 0.613 nan 8.190 nan 0.000 0.430 331 S N 3.852 119.342 115.700 -0.350 0.000 2.570 331 S HA 0.720 5.189 4.470 -0.002 0.000 0.286 331 S C -2.024 172.642 174.600 0.111 0.000 1.143 331 S CA -0.396 57.786 58.200 -0.031 0.000 0.921 331 S CB 1.005 64.230 63.200 0.042 0.000 1.108 331 S HN 0.641 nan 8.310 nan 0.000 0.456 332 L N 4.716 126.001 121.223 0.102 0.000 2.386 332 L HA 0.605 4.944 4.340 -0.002 0.000 0.271 332 L C -2.216 174.678 176.870 0.040 0.000 0.993 332 L CA -2.250 52.664 54.840 0.123 0.000 0.819 332 L CB 2.458 44.585 42.059 0.114 0.000 1.294 332 L HN 0.511 nan 8.230 nan 0.000 0.414 333 P HA 0.145 nan 4.420 nan 0.000 0.271 333 P C -0.708 176.449 177.300 -0.239 0.000 1.220 333 P CA -0.200 62.781 63.100 -0.200 0.000 0.768 333 P CB 0.391 31.859 31.700 -0.387 0.000 0.848 334 L N 4.000 125.121 121.223 -0.170 0.000 2.500 334 L HA 0.072 4.411 4.340 -0.002 0.000 0.272 334 L C 1.012 177.844 176.870 -0.064 0.000 1.149 334 L CA 0.630 55.441 54.840 -0.049 0.000 0.897 334 L CB -0.671 41.365 42.059 -0.039 0.000 1.178 334 L HN 0.617 nan 8.230 nan 0.000 0.473 335 H N 1.854 120.968 119.070 0.074 0.000 3.109 335 H HA 0.458 5.013 4.556 -0.002 0.000 0.248 335 H C -1.125 174.235 175.328 0.052 0.000 1.177 335 H CA -0.348 55.729 56.048 0.049 0.000 0.977 335 H CB 1.263 31.048 29.762 0.039 0.000 2.165 335 H HN 0.348 nan 8.280 nan 0.000 0.693 336 V N 1.490 121.518 119.914 0.191 0.000 2.769 336 V HA -0.059 4.060 4.120 -0.002 0.000 0.247 336 V C -0.415 175.796 176.094 0.195 0.000 1.794 336 V CA -1.100 61.287 62.300 0.145 0.000 0.860 336 V CB 1.710 33.599 31.823 0.111 0.000 1.327 336 V HN 0.194 nan 8.190 nan 0.000 0.476 337 V N 3.886 123.897 119.914 0.161 0.000 2.928 337 V HA 0.754 4.872 4.120 -0.002 0.000 0.307 337 V C 0.228 176.442 176.094 0.200 0.000 1.105 337 V CA 0.046 62.477 62.300 0.218 0.000 1.223 337 V CB 0.469 32.371 31.823 0.132 0.000 0.930 337 V HN 1.480 nan 8.190 nan 0.000 0.499 338 R N 1.283 121.915 120.500 0.221 0.000 1.385 338 R HA -0.063 4.276 4.340 -0.002 0.000 0.414 338 R C -0.435 175.737 176.300 -0.214 0.000 1.295 338 R CA 1.184 57.266 56.100 -0.030 0.000 0.975 338 R CB -0.792 29.517 30.300 0.014 0.000 3.046 338 R HN 1.269 nan 8.270 nan 0.000 0.499 339 R N 3.132 123.359 120.500 -0.456 0.000 2.629 339 R HA 0.722 5.061 4.340 -0.002 0.000 0.266 339 R C -1.501 174.617 176.300 -0.304 0.000 1.051 339 R CA -0.831 55.011 56.100 -0.431 0.000 0.895 339 R CB 1.272 31.150 30.300 -0.704 0.000 1.246 339 R HN 0.283 nan 8.270 nan 0.000 0.459 340 L N 3.176 124.315 121.223 -0.139 0.000 2.415 340 L HA 0.658 4.996 4.340 -0.002 0.000 0.256 340 L C -0.900 175.986 176.870 0.025 0.000 1.010 340 L CA -0.923 53.902 54.840 -0.026 0.000 0.826 340 L CB 2.156 44.255 42.059 0.067 0.000 1.405 340 L HN 0.788 nan 8.230 nan 0.000 0.410 341 M N -0.381 119.279 119.600 0.101 0.000 2.658 341 M HA 0.747 5.226 4.480 -0.002 0.000 0.295 341 M C -1.090 175.396 176.300 0.310 0.000 1.248 341 M CA -0.440 54.969 55.300 0.183 0.000 0.843 341 M CB 1.857 34.613 32.600 0.261 0.000 1.749 341 M HN 0.464 nan 8.290 nan 0.000 0.464 342 H N 0.010 119.229 119.070 0.249 0.000 2.966 342 H HA 0.769 5.324 4.556 -0.002 0.000 0.347 342 H C -2.147 173.373 175.328 0.319 0.000 1.048 342 H CA -0.524 55.686 56.048 0.271 0.000 1.295 342 H CB 1.264 31.189 29.762 0.272 0.000 1.744 342 H HN 0.837 nan 8.280 nan 0.000 0.513 343 I N 6.497 127.020 120.570 -0.079 0.000 2.433 343 I HA 0.367 4.535 4.170 -0.002 0.000 0.292 343 I C -0.412 175.575 176.117 -0.217 0.000 1.001 343 I CA -0.668 60.571 61.300 -0.100 0.000 1.119 343 I CB 1.269 39.272 38.000 0.005 0.000 1.289 343 I HN 0.675 nan 8.210 nan 0.000 0.438 344 H N 2.973 122.019 119.070 -0.040 0.000 2.990 344 H HA 0.460 5.015 4.556 -0.002 0.000 0.336 344 H C -1.349 173.981 175.328 0.003 0.000 1.306 344 H CA -1.095 54.946 56.048 -0.011 0.000 1.118 344 H CB 1.028 30.873 29.762 0.137 0.000 1.856 344 H HN 0.447 nan 8.280 nan 0.000 0.538 345 E N 1.138 121.457 120.200 0.198 0.000 2.376 345 E HA -0.044 4.305 4.350 -0.002 0.000 0.266 345 E C -0.090 176.633 176.600 0.205 0.000 1.009 345 E CA -0.274 56.197 56.400 0.119 0.000 0.902 345 E CB 0.608 30.354 29.700 0.076 0.000 0.972 345 E HN 0.334 nan 8.360 nan 0.000 0.439 346 N N 4.405 123.179 118.700 0.124 0.000 2.466 346 N HA -0.015 4.724 4.740 -0.002 0.000 0.263 346 N C -1.179 174.387 175.510 0.094 0.000 1.178 346 N CA -0.058 53.077 53.050 0.141 0.000 0.983 346 N CB 0.017 38.542 38.487 0.063 0.000 1.331 346 N HN 0.456 nan 8.380 nan 0.000 0.500 347 R N 1.658 122.216 120.500 0.098 0.000 2.739 347 R HA 0.599 4.938 4.340 -0.002 0.000 0.271 347 R C -2.931 173.388 176.300 0.032 0.000 1.010 347 R CA -1.769 54.361 56.100 0.051 0.000 0.897 347 R CB -0.064 30.259 30.300 0.038 0.000 1.236 347 R HN 0.135 nan 8.270 nan 0.000 0.466 348 P HA 0.077 nan 4.420 nan 0.000 0.261 348 P C 0.486 177.783 177.300 -0.005 0.000 1.183 348 P CA 1.455 64.560 63.100 0.009 0.000 0.761 348 P CB 0.637 32.342 31.700 0.009 0.000 0.785 349 G N 1.152 109.942 108.800 -0.017 0.000 2.211 349 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.201 349 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.201 349 G C 0.822 175.686 174.900 -0.059 0.000 0.997 349 G CA 0.065 45.148 45.100 -0.029 0.000 0.652 349 G HN 0.370 nan 8.290 nan 0.000 0.500 350 V N 1.304 121.159 119.914 -0.098 0.000 2.283 350 V HA 0.042 4.161 4.120 -0.002 0.000 0.243 350 V C 2.726 178.701 176.094 -0.199 0.000 1.039 350 V CA 1.959 64.147 62.300 -0.188 0.000 1.016 350 V CB -0.692 30.908 31.823 -0.372 0.000 0.650 350 V HN 0.392 nan 8.190 nan 0.000 0.449 351 L N 0.032 121.160 121.223 -0.159 0.000 1.990 351 L HA -0.244 4.095 4.340 -0.002 0.000 0.213 351 L C 2.717 179.558 176.870 -0.049 0.000 1.072 351 L CA 2.395 57.184 54.840 -0.084 0.000 0.755 351 L CB -0.699 41.350 42.059 -0.016 0.000 0.889 351 L HN 0.426 nan 8.230 nan 0.000 0.432 352 T N -0.162 114.370 114.554 -0.037 0.000 2.653 352 T HA -0.275 4.074 4.350 -0.002 0.000 0.268 352 T C 1.837 176.521 174.700 -0.028 0.000 1.035 352 T CA 1.541 63.629 62.100 -0.020 0.000 1.154 352 T CB -0.388 68.469 68.868 -0.018 0.000 0.862 352 T HN 0.539 nan 8.240 nan 0.000 0.441 353 A N 0.687 123.474 122.820 -0.054 0.000 1.933 353 A HA 0.025 4.344 4.320 -0.002 0.000 0.218 353 A C 2.322 179.857 177.584 -0.082 0.000 1.175 353 A CA 1.196 53.193 52.037 -0.066 0.000 0.628 353 A CB -0.816 18.138 19.000 -0.078 0.000 0.814 353 A HN 0.482 nan 8.150 nan 0.000 0.444 354 L N -0.450 120.716 121.223 -0.094 0.000 2.005 354 L HA -0.198 4.140 4.340 -0.002 0.000 0.207 354 L C 2.273 179.191 176.870 0.079 0.000 1.072 354 L CA 1.817 56.608 54.840 -0.081 0.000 0.744 354 L CB -0.396 41.588 42.059 -0.125 0.000 0.895 354 L HN 0.508 nan 8.230 nan 0.000 0.433 355 N N -0.680 118.086 118.700 0.110 0.000 2.223 355 N HA -0.246 4.492 4.740 -0.002 0.000 0.185 355 N C 1.690 177.318 175.510 0.196 0.000 1.016 355 N CA 0.854 54.035 53.050 0.218 0.000 0.863 355 N CB -0.012 38.536 38.487 0.101 0.000 0.983 355 N HN 0.248 nan 8.380 nan 0.000 0.429 356 K N 1.615 122.048 120.400 0.055 0.000 2.147 356 K HA -0.057 4.261 4.320 -0.002 0.000 0.205 356 K C 1.651 178.223 176.600 -0.048 0.000 1.049 356 K CA 0.843 57.136 56.287 0.011 0.000 0.936 356 K CB -0.019 32.468 32.500 -0.021 0.000 0.722 356 K HN 0.157 nan 8.250 nan 0.000 0.446 357 I N 0.583 121.050 120.570 -0.172 0.000 2.800 357 I HA -0.245 3.923 4.170 -0.002 0.000 0.266 357 I C 0.993 176.827 176.117 -0.472 0.000 1.249 357 I CA 1.132 62.194 61.300 -0.397 0.000 1.458 357 I CB -0.141 37.476 38.000 -0.638 0.000 1.093 357 I HN 0.172 nan 8.210 nan 0.000 0.466 358 F N -0.633 119.305 119.950 -0.021 0.000 2.549 358 F HA 0.283 4.809 4.527 -0.002 0.000 0.275 358 F C 2.469 178.262 175.800 -0.011 0.000 0.990 358 F CA 0.533 58.525 58.000 -0.014 0.000 1.274 358 F CB -0.942 38.049 39.000 -0.014 0.000 1.064 358 F HN -0.158 nan 8.300 nan 0.000 0.715 359 A N 1.214 124.149 122.820 0.192 0.000 1.869 359 A HA -0.305 4.014 4.320 -0.002 0.000 0.218 359 A C 1.970 179.587 177.584 0.055 0.000 1.203 359 A CA 2.260 54.355 52.037 0.097 0.000 0.638 359 A CB -1.332 17.710 19.000 0.069 0.000 0.831 359 A HN 0.576 nan 8.150 nan 0.000 0.450 360 E N 0.167 120.383 120.200 0.028 0.000 2.520 360 E HA -0.167 4.182 4.350 -0.002 0.000 0.201 360 E C 0.673 177.275 176.600 0.003 0.000 1.122 360 E CA 1.030 57.433 56.400 0.004 0.000 0.896 360 E CB -0.347 29.343 29.700 -0.016 0.000 0.891 360 E HN 0.888 nan 8.360 nan 0.000 0.533 361 Q N -1.658 118.155 119.800 0.022 0.000 1.989 361 Q HA 0.306 4.644 4.340 -0.002 0.000 0.215 361 Q C 0.795 176.821 176.000 0.043 0.000 0.809 361 Q CA -0.182 55.634 55.803 0.021 0.000 1.024 361 Q CB 0.555 29.294 28.738 0.002 0.000 1.236 361 Q HN 0.171 nan 8.270 nan 0.000 0.429 362 G N 0.274 109.105 108.800 0.052 0.000 2.155 362 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.257 362 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.257 362 G C 0.064 175.001 174.900 0.062 0.000 0.983 362 G CA 0.257 45.386 45.100 0.048 0.000 0.676 362 G HN 0.331 nan 8.290 nan 0.000 0.528 363 V N 0.728 120.703 119.914 0.103 0.000 2.498 363 V HA 0.449 4.568 4.120 -0.002 0.000 0.279 363 V C 0.543 176.686 176.094 0.083 0.000 1.048 363 V CA -0.450 61.923 62.300 0.122 0.000 0.967 363 V CB 1.549 33.517 31.823 0.241 0.000 0.988 363 V HN 0.435 nan 8.190 nan 0.000 0.473 364 N N 4.318 123.030 118.700 0.020 0.000 2.434 364 N HA 0.377 5.116 4.740 -0.002 0.000 0.272 364 N C -0.566 174.888 175.510 -0.093 0.000 1.040 364 N CA -0.370 52.667 53.050 -0.021 0.000 0.956 364 N CB 0.779 39.259 38.487 -0.012 0.000 1.108 364 N HN 0.597 nan 8.380 nan 0.000 0.481 365 I N 3.242 123.738 120.570 -0.123 0.000 2.379 365 I HA 0.143 4.312 4.170 -0.002 0.000 0.290 365 I C 1.217 177.270 176.117 -0.107 0.000 1.063 365 I CA -0.320 60.867 61.300 -0.188 0.000 1.351 365 I CB 1.152 39.028 38.000 -0.206 0.000 1.410 365 I HN 0.701 nan 8.210 nan 0.000 0.505 366 A N 5.697 128.458 122.820 -0.098 0.000 1.935 366 A HA 0.536 4.854 4.320 -0.002 0.000 0.214 366 A C 0.991 178.558 177.584 -0.029 0.000 1.178 366 A CA 1.070 53.080 52.037 -0.045 0.000 0.640 366 A CB 0.108 19.097 19.000 -0.019 0.000 0.825 366 A HN 0.779 nan 8.150 nan 0.000 0.447 367 A N -1.508 121.288 122.820 -0.041 0.000 2.594 367 A HA 0.657 4.975 4.320 -0.002 0.000 0.296 367 A C -1.003 176.565 177.584 -0.026 0.000 1.061 367 A CA -0.318 51.711 52.037 -0.014 0.000 0.689 367 A CB 0.935 19.955 19.000 0.032 0.000 1.280 367 A HN 0.308 nan 8.150 nan 0.000 0.406 368 Q N 0.425 120.221 119.800 -0.008 0.000 2.309 368 Q HA 0.556 4.895 4.340 -0.002 0.000 0.273 368 Q C -2.473 173.568 176.000 0.068 0.000 1.040 368 Q CA -0.587 55.225 55.803 0.015 0.000 0.834 368 Q CB 2.318 31.052 28.738 -0.007 0.000 1.345 368 Q HN 0.811 nan 8.270 nan 0.000 0.414 369 Y N 3.478 123.754 120.300 -0.040 0.000 2.338 369 Y HA 0.606 5.154 4.550 -0.002 0.000 0.333 369 Y C -1.959 173.917 175.900 -0.039 0.000 0.968 369 Y CA -1.136 56.946 58.100 -0.030 0.000 1.123 369 Y CB 1.462 39.901 38.460 -0.035 0.000 1.165 369 Y HN 0.644 nan 8.280 nan 0.000 0.452 370 L N 5.869 127.332 121.223 0.401 0.000 2.381 370 L HA 0.647 4.985 4.340 -0.002 0.000 0.274 370 L C -1.463 175.583 176.870 0.293 0.000 0.988 370 L CA -0.349 54.642 54.840 0.252 0.000 0.824 370 L CB 1.763 43.934 42.059 0.186 0.000 1.263 370 L HN 0.675 nan 8.230 nan 0.000 0.410 371 Q N 2.346 122.262 119.800 0.195 0.000 2.394 371 Q HA 0.775 5.114 4.340 -0.002 0.000 0.273 371 Q C -1.080 174.982 176.000 0.103 0.000 1.089 371 Q CA -0.374 55.530 55.803 0.168 0.000 0.812 371 Q CB 2.211 31.035 28.738 0.142 0.000 1.353 371 Q HN 0.777 nan 8.270 nan 0.000 0.438 372 T N -0.771 113.827 114.554 0.075 0.000 2.924 372 T HA 0.818 5.166 4.350 -0.002 0.000 0.291 372 T C -0.340 174.354 174.700 -0.011 0.000 1.045 372 T CA -0.634 61.479 62.100 0.023 0.000 1.015 372 T CB 1.589 70.484 68.868 0.044 0.000 1.103 372 T HN 0.474 nan 8.240 nan 0.000 0.496 373 S N -0.045 115.618 115.700 -0.062 0.000 2.747 373 S HA 0.653 5.122 4.470 -0.002 0.000 0.300 373 S C 1.940 176.510 174.600 -0.050 0.000 1.121 373 S CA -0.202 57.950 58.200 -0.078 0.000 0.995 373 S CB 0.735 63.838 63.200 -0.161 0.000 1.113 373 S HN 1.265 nan 8.310 nan 0.000 0.547 374 A N 0.923 123.716 122.820 -0.046 0.000 1.940 374 A HA -0.182 4.137 4.320 -0.002 0.000 0.221 374 A C 1.909 179.474 177.584 -0.031 0.000 1.190 374 A CA 2.384 54.403 52.037 -0.030 0.000 0.647 374 A CB -0.848 18.134 19.000 -0.030 0.000 0.821 374 A HN 0.950 nan 8.150 nan 0.000 0.457 375 Q N -2.895 116.872 119.800 -0.054 0.000 2.073 375 Q HA 0.535 4.874 4.340 -0.002 0.000 0.215 375 Q C 0.002 175.962 176.000 -0.066 0.000 0.776 375 Q CA -0.125 55.651 55.803 -0.047 0.000 1.008 375 Q CB 0.106 28.818 28.738 -0.043 0.000 1.196 375 Q HN 0.632 nan 8.270 nan 0.000 0.458 376 M N 0.154 119.684 119.600 -0.116 0.000 2.550 376 M HA 0.756 5.235 4.480 -0.002 0.000 0.292 376 M C -1.537 174.643 176.300 -0.199 0.000 1.221 376 M CA -0.531 54.663 55.300 -0.177 0.000 0.873 376 M CB 2.474 34.897 32.600 -0.294 0.000 1.727 376 M HN 0.135 nan 8.290 nan 0.000 0.459 377 G N 1.971 110.573 108.800 -0.330 0.000 2.513 377 G HA2 0.530 4.489 3.960 -0.002 0.000 0.317 377 G HA3 0.530 4.489 3.960 -0.002 0.000 0.317 377 G C -2.464 172.228 174.900 -0.347 0.000 1.277 377 G CA -0.257 44.630 45.100 -0.354 0.000 0.955 377 G HN 0.652 nan 8.290 nan 0.000 0.484 378 Y N 2.540 122.739 120.300 -0.169 0.000 2.326 378 Y HA 0.622 5.171 4.550 -0.002 0.000 0.337 378 Y C -0.664 175.290 175.900 0.089 0.000 1.023 378 Y CA -1.608 56.509 58.100 0.029 0.000 1.143 378 Y CB 1.633 40.227 38.460 0.222 0.000 1.183 378 Y HN 0.416 nan 8.280 nan 0.000 0.485 379 V N 7.479 127.401 119.914 0.013 0.000 2.638 379 V HA 0.659 4.777 4.120 -0.002 0.000 0.306 379 V C -1.703 174.294 176.094 -0.161 0.000 1.052 379 V CA -0.627 61.653 62.300 -0.032 0.000 0.885 379 V CB 1.987 33.927 31.823 0.195 0.000 0.999 379 V HN 0.535 nan 8.190 nan 0.000 0.424 380 V N 7.908 127.687 119.914 -0.225 0.000 2.459 380 V HA 0.627 4.746 4.120 -0.002 0.000 0.295 380 V C -0.203 175.860 176.094 -0.051 0.000 1.029 380 V CA -0.473 61.728 62.300 -0.164 0.000 0.874 380 V CB 1.622 33.317 31.823 -0.214 0.000 0.985 380 V HN 0.807 nan 8.190 nan 0.000 0.438 381 I N 2.828 123.366 120.570 -0.052 0.000 2.769 381 I HA 0.642 4.810 4.170 -0.002 0.000 0.298 381 I C -1.642 174.406 176.117 -0.115 0.000 1.128 381 I CA -0.347 60.905 61.300 -0.080 0.000 1.031 381 I CB 2.553 40.487 38.000 -0.109 0.000 1.235 381 I HN 0.510 nan 8.210 nan 0.000 0.423 382 D N 7.561 127.889 120.400 -0.121 0.000 2.502 382 D HA 0.579 5.218 4.640 -0.002 0.000 0.249 382 D C -0.882 175.326 176.300 -0.153 0.000 1.092 382 D CA 0.091 54.028 54.000 -0.104 0.000 0.839 382 D CB 2.080 42.866 40.800 -0.023 0.000 1.264 382 D HN 0.551 nan 8.370 nan 0.000 0.511 383 I N -2.115 118.361 120.570 -0.157 0.000 2.828 383 I HA 0.544 4.713 4.170 -0.002 0.000 0.302 383 I C -0.708 175.367 176.117 -0.070 0.000 1.101 383 I CA -0.967 60.220 61.300 -0.188 0.000 1.031 383 I CB 2.552 40.358 38.000 -0.323 0.000 1.231 383 I HN -0.018 nan 8.210 nan 0.000 0.427 384 E N 4.436 124.608 120.200 -0.046 0.000 1.993 384 E HA 0.673 5.022 4.350 -0.002 0.000 0.271 384 E C -0.409 176.204 176.600 0.021 0.000 1.008 384 E CA -0.388 56.012 56.400 -0.001 0.000 0.814 384 E CB 1.294 30.993 29.700 -0.001 0.000 1.098 384 E HN 0.762 nan 8.360 nan 0.000 0.407 385 A N 3.056 125.898 122.820 0.037 0.000 2.534 385 A HA 0.566 4.884 4.320 -0.002 0.000 0.300 385 A C -1.524 176.092 177.584 0.054 0.000 1.223 385 A CA -0.922 51.150 52.037 0.058 0.000 0.666 385 A CB 1.307 20.362 19.000 0.092 0.000 1.316 385 A HN 0.521 nan 8.150 nan 0.000 0.468 386 D N -1.280 119.153 120.400 0.056 0.000 2.525 386 D HA 0.413 5.051 4.640 -0.002 0.000 0.249 386 D C 0.511 176.844 176.300 0.055 0.000 1.072 386 D CA -0.274 53.757 54.000 0.052 0.000 1.067 386 D CB 0.327 41.152 40.800 0.043 0.000 1.282 386 D HN 0.492 nan 8.370 nan 0.000 0.587 387 E N -0.396 119.835 120.200 0.051 0.000 2.033 387 E HA -0.212 4.137 4.350 -0.002 0.000 0.199 387 E C 1.193 177.820 176.600 0.046 0.000 1.011 387 E CA 1.727 58.158 56.400 0.051 0.000 0.815 387 E CB -0.060 29.669 29.700 0.048 0.000 0.755 387 E HN 0.473 nan 8.360 nan 0.000 0.451 388 D N 0.191 120.614 120.400 0.039 0.000 2.133 388 D HA -0.165 4.474 4.640 -0.002 0.000 0.195 388 D C 2.131 178.451 176.300 0.032 0.000 0.997 388 D CA 1.247 55.266 54.000 0.032 0.000 0.840 388 D CB -0.188 40.628 40.800 0.026 0.000 0.947 388 D HN 0.087 nan 8.370 nan 0.000 0.452 389 V N 1.756 121.695 119.914 0.041 0.000 2.295 389 V HA -0.224 3.894 4.120 -0.002 0.000 0.246 389 V C 2.642 178.770 176.094 0.056 0.000 1.049 389 V CA 1.821 64.149 62.300 0.046 0.000 1.024 389 V CB -0.831 31.030 31.823 0.065 0.000 0.648 389 V HN 0.176 nan 8.190 nan 0.000 0.447 390 A N -0.327 122.538 122.820 0.075 0.000 1.858 390 A HA -0.256 4.063 4.320 -0.002 0.000 0.216 390 A C 2.177 179.797 177.584 0.061 0.000 1.190 390 A CA 1.904 53.996 52.037 0.092 0.000 0.617 390 A CB -0.651 18.398 19.000 0.082 0.000 0.827 390 A HN 0.568 nan 8.150 nan 0.000 0.443 391 E N -0.331 119.897 120.200 0.047 0.000 2.147 391 E HA -0.251 4.098 4.350 -0.002 0.000 0.199 391 E C 2.089 178.704 176.600 0.025 0.000 1.005 391 E CA 1.755 58.177 56.400 0.037 0.000 0.810 391 E CB -0.105 29.615 29.700 0.033 0.000 0.736 391 E HN 0.582 nan 8.360 nan 0.000 0.460 392 K N -0.305 120.103 120.400 0.014 0.000 2.031 392 K HA -0.037 4.282 4.320 -0.002 0.000 0.205 392 K C 2.208 178.785 176.600 -0.038 0.000 1.049 392 K CA 0.849 57.131 56.287 -0.009 0.000 0.939 392 K CB -0.089 32.402 32.500 -0.015 0.000 0.717 392 K HN 0.051 nan 8.250 nan 0.000 0.438 393 A N 1.622 124.410 122.820 -0.054 0.000 1.940 393 A HA -0.185 4.134 4.320 -0.002 0.000 0.219 393 A C 2.076 179.622 177.584 -0.063 0.000 1.176 393 A CA 1.237 53.188 52.037 -0.144 0.000 0.631 393 A CB -0.558 18.324 19.000 -0.196 0.000 0.814 393 A HN 0.230 nan 8.150 nan 0.000 0.446 394 L N 0.044 121.275 121.223 0.013 0.000 2.012 394 L HA -0.234 4.105 4.340 -0.002 0.000 0.210 394 L C 2.563 179.454 176.870 0.035 0.000 1.073 394 L CA 2.330 57.199 54.840 0.048 0.000 0.748 394 L CB -0.886 41.210 42.059 0.061 0.000 0.891 394 L HN 0.488 nan 8.230 nan 0.000 0.431 395 Q N -0.303 119.506 119.800 0.015 0.000 2.029 395 Q HA -0.299 4.039 4.340 -0.002 0.000 0.209 395 Q C 2.208 178.209 176.000 0.001 0.000 0.999 395 Q CA 2.249 58.058 55.803 0.010 0.000 0.857 395 Q CB -0.828 27.910 28.738 -0.001 0.000 0.926 395 Q HN 0.689 nan 8.270 nan 0.000 0.415 396 A N 1.051 123.851 122.820 -0.033 0.000 1.858 396 A HA -0.193 4.126 4.320 -0.002 0.000 0.216 396 A C 2.251 179.812 177.584 -0.038 0.000 1.190 396 A CA 1.774 53.779 52.037 -0.055 0.000 0.617 396 A CB -0.677 18.254 19.000 -0.115 0.000 0.827 396 A HN 0.321 nan 8.150 nan 0.000 0.443 397 M N -0.337 119.238 119.600 -0.042 0.000 2.089 397 M HA -0.265 4.213 4.480 -0.002 0.000 0.257 397 M C 2.102 178.496 176.300 0.156 0.000 1.071 397 M CA 2.100 57.402 55.300 0.003 0.000 1.096 397 M CB -0.514 32.120 32.600 0.057 0.000 1.330 397 M HN 0.331 nan 8.290 nan 0.000 0.403 398 K N 0.111 120.595 120.400 0.140 0.000 2.160 398 K HA -0.127 4.192 4.320 -0.002 0.000 0.206 398 K C 1.673 178.336 176.600 0.105 0.000 1.047 398 K CA 1.506 57.873 56.287 0.135 0.000 0.930 398 K CB -0.362 32.184 32.500 0.078 0.000 0.720 398 K HN 0.368 nan 8.250 nan 0.000 0.450 399 A N 1.289 124.148 122.820 0.065 0.000 2.291 399 A HA 0.107 4.425 4.320 -0.002 0.000 0.220 399 A C 0.684 178.294 177.584 0.043 0.000 1.262 399 A CA -0.044 52.017 52.037 0.040 0.000 0.867 399 A CB -0.433 18.575 19.000 0.013 0.000 0.888 399 A HN 0.120 nan 8.150 nan 0.000 0.487 400 I N 1.801 122.419 120.570 0.081 0.000 2.352 400 I HA 0.175 4.344 4.170 -0.002 0.000 0.290 400 I C -2.218 173.941 176.117 0.070 0.000 1.036 400 I CA -2.214 59.120 61.300 0.056 0.000 1.336 400 I CB 1.121 39.142 38.000 0.037 0.000 1.407 400 I HN 0.020 nan 8.210 nan 0.000 0.497 401 P HA -0.028 nan 4.420 nan 0.000 0.256 401 P C 0.836 178.167 177.300 0.052 0.000 1.173 401 P CA 0.833 63.953 63.100 0.034 0.000 0.768 401 P CB 0.334 32.043 31.700 0.015 0.000 0.758 402 G N 1.847 110.687 108.800 0.067 0.000 2.255 402 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.196 402 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.196 402 G C 0.328 175.305 174.900 0.128 0.000 0.998 402 G CA -0.290 44.862 45.100 0.087 0.000 0.656 402 G HN 0.551 nan 8.290 nan 0.000 0.490 403 T N 1.083 115.722 114.554 0.141 0.000 2.934 403 T HA 0.407 4.755 4.350 -0.002 0.000 0.306 403 T C 1.788 176.493 174.700 0.009 0.000 1.042 403 T CA 0.796 62.950 62.100 0.091 0.000 1.145 403 T CB 0.952 69.897 68.868 0.128 0.000 0.982 403 T HN 0.260 nan 8.240 nan 0.000 0.544 404 I N 1.391 121.925 120.570 -0.060 0.000 3.445 404 I HA 0.296 4.464 4.170 -0.002 0.000 0.288 404 I C 1.226 177.307 176.117 -0.060 0.000 1.198 404 I CA 0.197 61.467 61.300 -0.050 0.000 1.417 404 I CB 0.325 38.293 38.000 -0.054 0.000 1.205 404 I HN 0.414 nan 8.210 nan 0.000 0.448 405 R N 0.655 121.090 120.500 -0.109 0.000 2.753 405 R HA 0.673 5.011 4.340 -0.002 0.000 0.272 405 R C -2.206 174.048 176.300 -0.077 0.000 1.034 405 R CA -0.357 55.706 56.100 -0.062 0.000 0.869 405 R CB 2.136 32.422 30.300 -0.024 0.000 1.264 405 R HN 0.030 nan 8.270 nan 0.000 0.481 406 A N 2.399 125.228 122.820 0.016 0.000 2.608 406 A HA 0.782 5.100 4.320 -0.002 0.000 0.292 406 A C -1.643 175.996 177.584 0.093 0.000 1.066 406 A CA -0.707 51.385 52.037 0.092 0.000 0.676 406 A CB 2.062 21.186 19.000 0.206 0.000 1.277 406 A HN 0.693 nan 8.150 nan 0.000 0.413 407 R N -0.476 120.088 120.500 0.107 0.000 2.668 407 R HA 0.549 4.888 4.340 -0.002 0.000 0.272 407 R C -1.985 174.355 176.300 0.066 0.000 1.019 407 R CA -0.776 55.368 56.100 0.073 0.000 0.894 407 R CB 2.070 32.397 30.300 0.045 0.000 1.228 407 R HN 0.702 nan 8.270 nan 0.000 0.460 408 L N 4.635 125.888 121.223 0.051 0.000 2.272 408 L HA 0.317 4.656 4.340 -0.002 0.000 0.284 408 L C 0.054 176.933 176.870 0.015 0.000 1.045 408 L CA 0.080 54.934 54.840 0.024 0.000 0.842 408 L CB 0.881 42.963 42.059 0.039 0.000 1.224 408 L HN 0.769 nan 8.230 nan 0.000 0.430 409 L N 5.408 126.605 121.223 -0.043 0.000 2.056 409 L HA 0.022 4.361 4.340 -0.002 0.000 0.207 409 L C 0.009 176.957 176.870 0.130 0.000 1.078 409 L CA 1.064 55.912 54.840 0.014 0.000 0.749 409 L CB -0.597 41.445 42.059 -0.028 0.000 0.901 409 L HN 0.737 nan 8.230 nan 0.000 0.433 410 Y N 0.000 120.331 120.300 0.051 0.000 2.660 410 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 410 Y CA 0.000 58.127 58.100 0.045 0.000 1.940 410 Y CB 0.000 38.482 38.460 0.037 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758