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 2bvf_1_A DATA FIRST_RESID 5 DATA SEQUENCE KLATPLSIQG EVIYPDDSGF DAIANIWDGR HLQRPSLIAR CLSAGDVAKS DATA SEQUENCE VRYACDNGLE ISVRSGGHNP NGYATNDGGI VLDLRLMNSI HIDTAGSRAR DATA SEQUENCE IGGGVISGDL VKEAAKFGLA AVTGMHPKVG FCGLALNGGV GFLTPKYGLA DATA SEQUENCE SDNILGATLV TATGDVIYCS DDERPELFWA VRGAGPNFGV VTEVEVQLYE DATA SEQUENCE LPRKMLAGFI TWAPSVSELA GLLTSLLDAL NEMADHIYPS VFVGVDENRA DATA SEQUENCE PSVTVCVGHL GGLDIAERDI ARLRGLGRTV SDSIAVRSYD EVVALNAEVG DATA SEQUENCE SFEDGMSNLW IDREIAMPNA RFAEAIAGNL DKFVSEPASG GSVKLEIEGM DATA SEQUENCE PFGNPKRTPA RHRDAMGVLA LAEWSGAAPG SEKYPELARE LDAALLRAGV DATA SEQUENCE TTSGFGLLNN NSEVTAEMVA EVYKPEVYSR LAAVKREYDP ENRFRHNYNI DATA SEQUENCE DPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.494 176.600 -0.177 0.000 0.988 5 K CA 0.000 56.021 56.287 -0.444 0.000 0.838 5 K CB 0.000 32.026 32.500 -0.790 0.000 1.064 6 L N 1.776 122.977 121.223 -0.038 0.000 2.418 6 L HA 0.633 4.973 4.340 -0.000 0.000 0.265 6 L C 1.672 178.566 176.870 0.040 0.000 1.143 6 L CA 0.629 55.498 54.840 0.050 0.000 0.809 6 L CB 1.297 43.465 42.059 0.182 0.000 1.124 6 L HN 0.354 nan 8.230 nan 0.000 0.456 7 A N 1.583 124.419 122.820 0.027 0.000 1.903 7 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 7 A C 1.084 178.693 177.584 0.042 0.000 1.191 7 A CA 2.070 54.120 52.037 0.022 0.000 0.638 7 A CB -0.818 18.188 19.000 0.011 0.000 0.823 7 A HN 0.693 nan 8.150 nan 0.000 0.451 8 T N 2.487 117.081 114.554 0.067 0.000 3.145 8 T HA 0.455 4.805 4.350 -0.000 0.000 0.362 8 T C -2.639 172.174 174.700 0.187 0.000 1.340 8 T CA -1.104 61.054 62.100 0.097 0.000 1.069 8 T CB 1.081 69.995 68.868 0.077 0.000 1.129 8 T HN 0.312 nan 8.240 nan 0.000 0.585 9 P HA 0.259 nan 4.420 nan 0.000 0.276 9 P C -0.240 177.150 177.300 0.150 0.000 1.244 9 P CA -0.951 62.260 63.100 0.185 0.000 0.801 9 P CB 0.749 32.505 31.700 0.094 0.000 1.006 10 L N 1.320 122.519 121.223 -0.040 0.000 2.500 10 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 10 L C 0.164 176.986 176.870 -0.080 0.000 1.149 10 L CA 0.621 55.292 54.840 -0.281 0.000 0.897 10 L CB -0.676 40.925 42.059 -0.764 0.000 1.178 10 L HN 0.287 nan 8.230 nan 0.000 0.473 11 S N 6.563 122.248 115.700 -0.026 0.000 2.594 11 S HA 0.730 5.200 4.470 -0.000 0.000 0.322 11 S C -0.377 174.220 174.600 -0.005 0.000 1.085 11 S CA -0.722 57.479 58.200 0.001 0.000 1.116 11 S CB -0.040 63.175 63.200 0.026 0.000 0.979 11 S HN 0.572 nan 8.310 nan 0.000 0.465 12 I N 1.678 122.240 120.570 -0.013 0.000 3.322 12 I HA 0.523 4.692 4.170 -0.000 0.000 0.313 12 I C 0.937 177.053 176.117 -0.002 0.000 1.129 12 I CA -1.126 60.168 61.300 -0.009 0.000 0.963 12 I CB 1.128 39.114 38.000 -0.024 0.000 1.273 12 I HN 0.362 nan 8.210 nan 0.000 0.473 13 Q N 1.214 121.015 119.800 0.001 0.000 2.083 13 Q HA 0.129 4.469 4.340 -0.000 0.000 0.198 13 Q C 1.292 177.292 176.000 0.001 0.000 0.969 13 Q CA 1.333 57.139 55.803 0.004 0.000 0.838 13 Q CB -0.158 28.584 28.738 0.006 0.000 0.900 13 Q HN 0.880 nan 8.270 nan 0.000 0.436 14 G N 0.710 109.508 108.800 -0.004 0.000 2.486 14 G HA2 0.096 4.056 3.960 -0.000 0.000 0.272 14 G HA3 0.096 4.056 3.960 -0.000 0.000 0.272 14 G C -0.214 174.679 174.900 -0.011 0.000 1.426 14 G CA -0.480 44.615 45.100 -0.007 0.000 1.058 14 G HN -0.017 nan 8.290 nan 0.000 0.531 15 E N -1.008 119.183 120.200 -0.015 0.000 2.214 15 E HA 0.473 4.822 4.350 -0.000 0.000 0.274 15 E C -0.625 175.946 176.600 -0.048 0.000 0.977 15 E CA -0.578 55.814 56.400 -0.015 0.000 0.827 15 E CB 1.978 31.677 29.700 -0.002 0.000 1.130 15 E HN 0.098 nan 8.360 nan 0.000 0.394 16 V N 3.397 123.275 119.914 -0.060 0.000 2.459 16 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 16 V C 0.156 176.124 176.094 -0.209 0.000 1.029 16 V CA -0.675 61.517 62.300 -0.180 0.000 0.874 16 V CB 1.160 32.853 31.823 -0.216 0.000 0.985 16 V HN 0.481 nan 8.190 nan 0.000 0.438 17 I N 4.728 125.130 120.570 -0.279 0.000 2.465 17 I HA 0.529 4.699 4.170 -0.000 0.000 0.291 17 I C -1.076 174.950 176.117 -0.151 0.000 1.014 17 I CA -0.577 60.678 61.300 -0.075 0.000 1.093 17 I CB 1.666 39.717 38.000 0.085 0.000 1.267 17 I HN 0.474 nan 8.210 nan 0.000 0.431 18 Y N 5.507 125.883 120.300 0.125 0.000 2.528 18 Y HA 0.367 4.916 4.550 -0.000 0.000 0.335 18 Y C -1.740 173.866 175.900 -0.489 0.000 1.093 18 Y CA -2.033 56.010 58.100 -0.095 0.000 1.134 18 Y CB 0.789 39.203 38.460 -0.078 0.000 1.253 18 Y HN 0.374 nan 8.280 nan 0.000 0.478 19 P HA -0.152 nan 4.420 nan 0.000 0.218 19 P C 0.297 177.308 177.300 -0.482 0.000 1.146 19 P CA 1.706 64.028 63.100 -1.297 0.000 0.813 19 P CB 0.334 31.597 31.700 -0.728 0.000 0.778 20 D N -1.888 118.387 120.400 -0.209 0.000 2.350 20 D HA 0.005 4.645 4.640 -0.000 0.000 0.213 20 D C 0.170 176.472 176.300 0.004 0.000 1.031 20 D CA 0.434 54.390 54.000 -0.073 0.000 0.861 20 D CB -0.416 40.350 40.800 -0.057 0.000 0.926 20 D HN 0.148 nan 8.370 nan 0.000 0.520 21 D N -0.144 120.286 120.400 0.050 0.000 2.399 21 D HA -0.051 4.589 4.640 -0.000 0.000 0.241 21 D C 1.322 177.697 176.300 0.124 0.000 1.133 21 D CA 0.146 54.212 54.000 0.109 0.000 0.890 21 D CB 1.505 42.406 40.800 0.168 0.000 1.201 21 D HN -0.159 nan 8.370 nan 0.000 0.432 22 S N 1.198 116.955 115.700 0.095 0.000 2.402 22 S HA -0.076 4.394 4.470 -0.000 0.000 0.229 22 S C 1.799 176.458 174.600 0.097 0.000 1.021 22 S CA 1.339 59.588 58.200 0.082 0.000 0.974 22 S CB -0.150 63.084 63.200 0.056 0.000 0.800 22 S HN 0.595 nan 8.310 nan 0.000 0.484 23 G N -0.451 108.412 108.800 0.104 0.000 2.920 23 G HA2 0.062 4.022 3.960 -0.000 0.000 0.208 23 G HA3 0.062 4.022 3.960 -0.000 0.000 0.208 23 G C 0.951 175.909 174.900 0.098 0.000 1.159 23 G CA 0.042 45.191 45.100 0.081 0.000 0.784 23 G HN 0.544 nan 8.290 nan 0.000 0.535 24 F N 1.851 121.806 119.950 0.009 0.000 2.075 24 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 24 F C 2.168 177.967 175.800 -0.002 0.000 1.113 24 F CA 1.863 59.864 58.000 0.002 0.000 1.218 24 F CB 0.080 39.089 39.000 0.013 0.000 0.984 24 F HN 0.092 nan 8.300 nan 0.000 0.472 25 D N 0.424 120.929 120.400 0.174 0.000 2.133 25 D HA -0.219 4.421 4.640 -0.000 0.000 0.195 25 D C 2.296 178.553 176.300 -0.072 0.000 0.997 25 D CA 1.663 55.698 54.000 0.058 0.000 0.840 25 D CB -0.681 40.180 40.800 0.101 0.000 0.947 25 D HN 0.397 nan 8.370 nan 0.000 0.452 26 A N 0.404 123.196 122.820 -0.047 0.000 1.929 26 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 26 A C 2.102 179.626 177.584 -0.099 0.000 1.176 26 A CA 0.690 52.694 52.037 -0.055 0.000 0.628 26 A CB -0.318 18.671 19.000 -0.019 0.000 0.816 26 A HN 0.121 nan 8.150 nan 0.000 0.444 27 I N -0.079 120.400 120.570 -0.150 0.000 2.353 27 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 27 I C 2.735 178.695 176.117 -0.262 0.000 1.119 27 I CA 1.313 62.505 61.300 -0.180 0.000 1.417 27 I CB -1.473 36.419 38.000 -0.180 0.000 1.078 27 I HN 0.346 nan 8.210 nan 0.000 0.421 28 A N 0.171 122.738 122.820 -0.422 0.000 2.067 28 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 28 A C 1.286 178.734 177.584 -0.227 0.000 1.156 28 A CA 0.201 51.969 52.037 -0.447 0.000 0.683 28 A CB -0.591 17.953 19.000 -0.760 0.000 0.808 28 A HN 0.368 nan 8.150 nan 0.000 0.455 29 N N 0.797 119.398 118.700 -0.164 0.000 2.356 29 N HA 0.206 4.946 4.740 -0.000 0.000 0.252 29 N C -0.164 175.300 175.510 -0.077 0.000 1.241 29 N CA 0.829 53.819 53.050 -0.100 0.000 0.861 29 N CB 0.338 38.782 38.487 -0.072 0.000 1.075 29 N HN 0.593 nan 8.380 nan 0.000 0.461 30 I N -1.053 119.477 120.570 -0.068 0.000 3.206 30 I HA 0.386 4.556 4.170 -0.000 0.000 0.313 30 I C 0.992 177.087 176.117 -0.036 0.000 1.103 30 I CA -1.075 60.201 61.300 -0.040 0.000 0.985 30 I CB 1.264 39.233 38.000 -0.052 0.000 1.240 30 I HN 0.506 nan 8.210 nan 0.000 0.464 31 W N 1.878 123.032 121.300 -0.244 0.000 2.379 31 W HA -0.022 4.638 4.660 0.000 0.000 0.307 31 W C 0.820 177.174 176.519 -0.275 0.000 1.200 31 W CA 1.440 58.583 57.345 -0.338 0.000 1.297 31 W CB -0.014 29.027 29.460 -0.698 0.000 1.140 31 W HN 0.699 nan 8.180 nan 0.000 0.507 32 D N -1.014 119.193 120.400 -0.322 0.000 2.304 32 D HA 0.278 4.918 4.640 -0.000 0.000 0.250 32 D C 1.365 177.430 176.300 -0.392 0.000 1.107 32 D CA 0.602 54.264 54.000 -0.562 0.000 0.885 32 D CB 1.418 42.038 40.800 -0.301 0.000 1.192 32 D HN 0.107 nan 8.370 nan 0.000 0.436 33 G N 2.880 111.376 108.800 -0.507 0.000 2.985 33 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.209 33 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.209 33 G C 1.168 175.857 174.900 -0.353 0.000 1.165 33 G CA -0.139 44.735 45.100 -0.377 0.000 0.776 33 G HN 0.467 nan 8.290 nan 0.000 0.541 34 R N -0.121 120.105 120.500 -0.457 0.000 2.148 34 R HA 0.031 4.371 4.340 -0.000 0.000 0.223 34 R C 0.047 176.039 176.300 -0.513 0.000 1.088 34 R CA 0.518 56.303 56.100 -0.524 0.000 0.985 34 R CB -0.014 29.876 30.300 -0.682 0.000 0.880 34 R HN 0.374 nan 8.270 nan 0.000 0.451 35 H N 1.048 120.027 119.070 -0.151 0.000 2.685 35 H HA 0.130 4.686 4.556 -0.000 0.000 0.286 35 H C 0.846 176.119 175.328 -0.091 0.000 1.102 35 H CA -0.096 55.885 56.048 -0.111 0.000 1.254 35 H CB 0.989 30.676 29.762 -0.125 0.000 1.397 35 H HN 0.066 nan 8.280 nan 0.000 0.473 36 L N 1.277 122.503 121.223 0.006 0.000 2.529 36 L HA -0.013 4.327 4.340 -0.000 0.000 0.223 36 L C 1.402 178.287 176.870 0.026 0.000 1.113 36 L CA 0.067 54.907 54.840 0.000 0.000 0.861 36 L CB -0.085 41.966 42.059 -0.014 0.000 1.012 36 L HN 0.475 nan 8.230 nan 0.000 0.461 37 Q N 2.116 121.939 119.800 0.037 0.000 2.330 37 Q HA 0.139 4.479 4.340 -0.000 0.000 0.279 37 Q C -0.660 175.363 176.000 0.038 0.000 1.024 37 Q CA 0.431 56.256 55.803 0.037 0.000 0.900 37 Q CB 1.159 29.916 28.738 0.032 0.000 1.221 37 Q HN 0.150 nan 8.270 nan 0.000 0.396 38 R N 2.874 123.416 120.500 0.069 0.000 2.686 38 R HA 0.579 4.919 4.340 -0.000 0.000 0.283 38 R C -2.427 173.960 176.300 0.146 0.000 0.978 38 R CA -2.115 54.060 56.100 0.124 0.000 0.897 38 R CB 1.760 32.198 30.300 0.231 0.000 1.192 38 R HN 0.600 nan 8.270 nan 0.000 0.457 39 P HA 0.072 nan 4.420 nan 0.000 0.274 39 P C 0.413 177.840 177.300 0.212 0.000 1.256 39 P CA -0.205 62.992 63.100 0.162 0.000 0.795 39 P CB 0.647 32.426 31.700 0.132 0.000 1.038 40 S N 0.333 116.119 115.700 0.144 0.000 2.489 40 S HA 0.115 4.585 4.470 -0.000 0.000 0.228 40 S C 0.918 175.603 174.600 0.140 0.000 0.995 40 S CA 0.216 58.486 58.200 0.116 0.000 0.934 40 S CB -0.920 62.350 63.200 0.117 0.000 0.771 40 S HN 0.585 nan 8.310 nan 0.000 0.522 41 L N -2.450 118.862 121.223 0.150 0.000 2.710 41 L HA 0.707 5.047 4.340 -0.000 0.000 0.260 41 L C -1.990 174.901 176.870 0.036 0.000 0.993 41 L CA -1.299 53.555 54.840 0.024 0.000 0.877 41 L CB 1.509 43.443 42.059 -0.208 0.000 1.461 41 L HN -0.053 nan 8.230 nan 0.000 0.413 42 I N 2.071 122.615 120.570 -0.042 0.000 2.418 42 I HA 0.647 4.817 4.170 -0.000 0.000 0.287 42 I C 0.085 176.124 176.117 -0.130 0.000 1.008 42 I CA -0.633 60.625 61.300 -0.070 0.000 1.104 42 I CB 2.016 39.956 38.000 -0.099 0.000 1.264 42 I HN 0.811 nan 8.210 nan 0.000 0.438 43 A N 6.743 129.501 122.820 -0.103 0.000 2.260 43 A HA 0.519 4.839 4.320 -0.000 0.000 0.312 43 A C 0.101 177.648 177.584 -0.062 0.000 1.321 43 A CA -0.556 51.420 52.037 -0.102 0.000 0.928 43 A CB 0.089 19.035 19.000 -0.090 0.000 1.158 43 A HN 0.734 nan 8.150 nan 0.000 0.542 44 R N 2.437 122.902 120.500 -0.058 0.000 2.870 44 R HA 0.206 4.545 4.340 -0.000 0.000 0.254 44 R C -0.813 175.474 176.300 -0.021 0.000 1.392 44 R CA -0.262 55.816 56.100 -0.035 0.000 1.322 44 R CB 0.003 30.283 30.300 -0.033 0.000 1.205 44 R HN 0.742 nan 8.270 nan 0.000 0.597 45 C N 2.460 121.752 119.300 -0.013 0.000 2.644 45 C HA 0.106 4.566 4.460 -0.000 0.000 0.417 45 C C 1.964 176.956 174.990 0.003 0.000 1.304 45 C CA -0.298 58.718 59.018 -0.003 0.000 2.035 45 C CB 0.062 27.806 27.740 0.007 0.000 2.673 45 C HN 0.820 nan 8.230 nan 0.000 0.602 46 L N 2.270 123.496 121.223 0.005 0.000 2.609 46 L HA 0.156 4.496 4.340 -0.000 0.000 0.230 46 L C 1.001 177.878 176.870 0.011 0.000 1.087 46 L CA 0.461 55.305 54.840 0.008 0.000 0.874 46 L CB -0.258 41.805 42.059 0.006 0.000 1.114 46 L HN 0.855 nan 8.230 nan 0.000 0.488 47 S N -2.237 113.471 115.700 0.013 0.000 2.638 47 S HA 0.595 5.065 4.470 -0.000 0.000 0.274 47 S C 0.582 175.195 174.600 0.022 0.000 1.157 47 S CA -0.168 58.041 58.200 0.016 0.000 0.826 47 S CB 1.922 65.130 63.200 0.014 0.000 1.139 47 S HN -0.036 nan 8.310 nan 0.000 0.474 48 A N 1.084 123.918 122.820 0.024 0.000 1.948 48 A HA 0.117 4.437 4.320 -0.000 0.000 0.220 48 A C 2.102 179.708 177.584 0.036 0.000 1.177 48 A CA 2.231 54.287 52.037 0.032 0.000 0.636 48 A CB -1.801 17.218 19.000 0.033 0.000 0.815 48 A HN 1.387 nan 8.150 nan 0.000 0.449 49 G N -0.231 108.587 108.800 0.030 0.000 2.446 49 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 49 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 49 G C 1.165 176.085 174.900 0.033 0.000 1.168 49 G CA 1.307 46.426 45.100 0.031 0.000 0.771 49 G HN 0.470 nan 8.290 nan 0.000 0.551 50 D N 0.009 120.424 120.400 0.025 0.000 2.117 50 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 50 D C 2.782 179.100 176.300 0.030 0.000 0.987 50 D CA 0.697 54.709 54.000 0.020 0.000 0.829 50 D CB -0.452 40.353 40.800 0.009 0.000 0.961 50 D HN 0.199 nan 8.370 nan 0.000 0.460 51 V N 1.267 121.205 119.914 0.040 0.000 2.295 51 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 51 V C 2.511 178.655 176.094 0.083 0.000 1.049 51 V CA 1.836 64.172 62.300 0.060 0.000 1.024 51 V CB -0.904 30.953 31.823 0.057 0.000 0.648 51 V HN 0.198 nan 8.190 nan 0.000 0.447 52 A N -0.212 122.655 122.820 0.077 0.000 1.892 52 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 52 A C 2.298 179.936 177.584 0.089 0.000 1.188 52 A CA 2.380 54.469 52.037 0.087 0.000 0.631 52 A CB -0.542 18.501 19.000 0.072 0.000 0.822 52 A HN 0.550 nan 8.150 nan 0.000 0.447 53 K N -0.269 120.175 120.400 0.075 0.000 2.097 53 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 53 K C 2.376 179.042 176.600 0.111 0.000 1.049 53 K CA 1.494 57.831 56.287 0.083 0.000 0.933 53 K CB -0.168 32.365 32.500 0.055 0.000 0.717 53 K HN 0.466 nan 8.250 nan 0.000 0.442 54 S N 0.658 116.409 115.700 0.084 0.000 2.368 54 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 54 S C 2.188 176.880 174.600 0.154 0.000 1.029 54 S CA 1.388 59.643 58.200 0.093 0.000 0.988 54 S CB -0.245 62.982 63.200 0.044 0.000 0.838 54 S HN 0.305 nan 8.310 nan 0.000 0.462 55 V N 0.843 120.839 119.914 0.137 0.000 2.427 55 V HA -0.034 4.086 4.120 -0.000 0.000 0.248 55 V C 2.113 178.265 176.094 0.097 0.000 1.051 55 V CA 1.276 63.650 62.300 0.122 0.000 1.048 55 V CB -0.754 31.169 31.823 0.168 0.000 0.666 55 V HN 0.265 nan 8.190 nan 0.000 0.456 56 R N -0.889 119.678 120.500 0.112 0.000 2.081 56 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 56 R C 2.319 178.682 176.300 0.105 0.000 1.131 56 R CA 2.120 58.275 56.100 0.091 0.000 0.960 56 R CB -0.678 29.677 30.300 0.092 0.000 0.856 56 R HN 0.700 nan 8.270 nan 0.000 0.436 57 Y N 1.216 121.533 120.300 0.027 0.000 2.165 57 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 57 Y C 2.272 178.184 175.900 0.021 0.000 1.155 57 Y CA 1.464 59.581 58.100 0.029 0.000 1.164 57 Y CB -0.283 38.201 38.460 0.039 0.000 0.978 57 Y HN 0.078 nan 8.280 nan 0.000 0.513 58 A N -0.591 122.336 122.820 0.179 0.000 1.883 58 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 58 A C 2.483 180.042 177.584 -0.041 0.000 1.186 58 A CA 1.828 53.904 52.037 0.066 0.000 0.624 58 A CB -1.831 17.209 19.000 0.066 0.000 0.822 58 A HN 0.723 nan 8.150 nan 0.000 0.444 59 C N -0.356 118.921 119.300 -0.039 0.000 2.413 59 C HA -0.140 4.319 4.460 -0.000 0.000 0.276 59 C C 2.334 177.276 174.990 -0.079 0.000 1.236 59 C CA 1.587 60.571 59.018 -0.057 0.000 1.735 59 C CB -1.419 26.299 27.740 -0.036 0.000 2.031 59 C HN 0.658 nan 8.230 nan 0.000 0.474 60 D N 0.385 120.724 120.400 -0.102 0.000 2.182 60 D HA -0.082 4.557 4.640 -0.000 0.000 0.201 60 D C 1.391 177.581 176.300 -0.184 0.000 0.986 60 D CA 1.230 55.148 54.000 -0.137 0.000 0.847 60 D CB -0.517 40.187 40.800 -0.161 0.000 0.942 60 D HN 0.631 nan 8.370 nan 0.000 0.467 61 N N -0.555 117.995 118.700 -0.250 0.000 2.204 61 N HA 0.147 4.887 4.740 -0.000 0.000 0.219 61 N C 0.758 176.199 175.510 -0.116 0.000 1.151 61 N CA 0.394 53.309 53.050 -0.225 0.000 0.867 61 N CB 1.462 39.722 38.487 -0.378 0.000 1.043 61 N HN 0.088 nan 8.380 nan 0.000 0.516 62 G N 1.553 110.301 108.800 -0.087 0.000 2.273 62 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.280 62 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.280 62 G C -0.196 174.688 174.900 -0.027 0.000 1.047 62 G CA 0.149 45.219 45.100 -0.050 0.000 0.869 62 G HN 0.278 nan 8.290 nan 0.000 0.502 63 L N -0.100 121.111 121.223 -0.020 0.000 2.295 63 L HA 0.423 4.763 4.340 -0.000 0.000 0.285 63 L C 0.806 177.691 176.870 0.025 0.000 1.035 63 L CA -0.891 53.962 54.840 0.022 0.000 0.806 63 L CB 1.243 43.339 42.059 0.062 0.000 1.214 63 L HN 0.202 nan 8.230 nan 0.000 0.426 64 E N 3.232 123.463 120.200 0.052 0.000 2.414 64 E HA 0.170 4.520 4.350 -0.000 0.000 0.263 64 E C -0.677 175.981 176.600 0.097 0.000 1.000 64 E CA 0.100 56.550 56.400 0.083 0.000 0.914 64 E CB 1.031 30.853 29.700 0.203 0.000 0.948 64 E HN 0.379 nan 8.360 nan 0.000 0.444 65 I N 2.463 123.075 120.570 0.070 0.000 2.315 65 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 65 I C -0.002 176.240 176.117 0.209 0.000 1.006 65 I CA -0.130 61.221 61.300 0.084 0.000 1.265 65 I CB 1.326 39.302 38.000 -0.040 0.000 1.387 65 I HN 0.317 nan 8.210 nan 0.000 0.475 66 S N 4.886 120.674 115.700 0.147 0.000 2.537 66 S HA 0.637 5.106 4.470 -0.000 0.000 0.301 66 S C -0.427 174.230 174.600 0.096 0.000 1.092 66 S CA -0.638 57.632 58.200 0.118 0.000 1.048 66 S CB 2.297 65.487 63.200 -0.018 0.000 1.053 66 S HN 0.276 nan 8.310 nan 0.000 0.501 67 V N 3.303 123.266 119.914 0.082 0.000 2.495 67 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 67 V C -0.048 176.055 176.094 0.015 0.000 1.031 67 V CA -0.741 61.587 62.300 0.047 0.000 0.871 67 V CB 1.598 33.438 31.823 0.029 0.000 0.988 67 V HN 0.703 nan 8.190 nan 0.000 0.432 68 R N 2.836 123.339 120.500 0.005 0.000 2.513 68 R HA 0.639 4.979 4.340 -0.000 0.000 0.301 68 R C -0.468 175.834 176.300 0.004 0.000 0.968 68 R CA -0.056 56.043 56.100 -0.002 0.000 0.872 68 R CB 2.238 32.527 30.300 -0.019 0.000 1.177 68 R HN 0.800 nan 8.270 nan 0.000 0.444 69 S N 1.881 117.589 115.700 0.013 0.000 3.128 69 S HA 0.196 4.666 4.470 -0.000 0.000 0.171 69 S C 1.324 175.951 174.600 0.045 0.000 0.707 69 S CA 0.432 58.648 58.200 0.027 0.000 0.851 69 S CB -0.188 63.027 63.200 0.026 0.000 0.872 69 S HN 0.746 nan 8.310 nan 0.000 0.724 70 G N 0.079 108.915 108.800 0.061 0.000 2.572 70 G HA2 0.343 4.303 3.960 -0.000 0.000 0.216 70 G HA3 0.343 4.303 3.960 -0.000 0.000 0.216 70 G C 1.019 176.001 174.900 0.137 0.000 1.133 70 G CA 0.625 45.788 45.100 0.105 0.000 0.791 70 G HN 1.128 nan 8.290 nan 0.000 0.538 71 G N -0.428 108.421 108.800 0.083 0.000 2.168 71 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 71 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 71 G C 0.898 175.830 174.900 0.053 0.000 0.997 71 G CA 0.688 45.819 45.100 0.051 0.000 0.708 71 G HN 0.582 nan 8.290 nan 0.000 0.520 72 H N -0.214 118.855 119.070 -0.002 0.000 2.548 72 H HA 0.069 4.625 4.556 -0.000 0.000 0.268 72 H C 1.291 176.628 175.328 0.014 0.000 0.975 72 H CA 0.557 56.566 56.048 -0.065 0.000 1.195 72 H CB 0.323 29.920 29.762 -0.274 0.000 1.397 72 H HN 0.376 nan 8.280 nan 0.000 0.572 73 N N 2.503 121.254 118.700 0.085 0.000 2.431 73 N HA -0.019 4.721 4.740 -0.000 0.000 0.265 73 N C -1.907 173.546 175.510 -0.096 0.000 1.184 73 N CA -1.178 51.890 53.050 0.031 0.000 0.943 73 N CB 1.366 39.881 38.487 0.045 0.000 1.080 73 N HN 0.153 nan 8.380 nan 0.000 0.477 74 P HA 0.036 nan 4.420 nan 0.000 0.249 74 P C 0.349 177.547 177.300 -0.170 0.000 1.241 74 P CA 0.360 63.350 63.100 -0.183 0.000 0.781 74 P CB 0.345 31.764 31.700 -0.469 0.000 1.088 75 N N 0.430 118.888 118.700 -0.403 0.000 2.494 75 N HA -0.034 4.706 4.740 -0.000 0.000 0.182 75 N C 1.421 176.340 175.510 -0.984 0.000 1.076 75 N CA 1.260 53.925 53.050 -0.641 0.000 0.908 75 N CB -0.258 37.523 38.487 -1.177 0.000 0.967 75 N HN 0.210 nan 8.380 nan 0.000 0.449 76 G N 0.692 108.888 108.800 -1.007 0.000 2.147 76 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 76 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 76 G C 0.438 175.041 174.900 -0.496 0.000 1.005 76 G CA 0.188 44.648 45.100 -1.067 0.000 0.713 76 G HN 0.299 nan 8.290 nan 0.000 0.515 77 Y N -0.149 119.996 120.300 -0.259 0.000 2.315 77 Y HA 0.081 4.631 4.550 -0.000 0.000 0.288 77 Y C 2.966 178.771 175.900 -0.159 0.000 1.154 77 Y CA 1.340 59.349 58.100 -0.152 0.000 1.229 77 Y CB -0.736 37.663 38.460 -0.102 0.000 0.980 77 Y HN 0.507 nan 8.280 nan 0.000 0.540 78 A N -1.279 121.537 122.820 -0.007 0.000 2.168 78 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 78 A C 1.464 178.997 177.584 -0.084 0.000 1.152 78 A CA 1.434 53.450 52.037 -0.034 0.000 0.716 78 A CB -0.505 18.475 19.000 -0.032 0.000 0.794 78 A HN 0.320 nan 8.150 nan 0.000 0.465 79 T N -1.070 113.401 114.554 -0.139 0.000 2.910 79 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 79 T C -0.989 173.575 174.700 -0.227 0.000 1.050 79 T CA -0.163 61.852 62.100 -0.142 0.000 1.011 79 T CB 1.032 69.837 68.868 -0.106 0.000 1.195 79 T HN 0.640 nan 8.240 nan 0.000 0.540 80 N N 0.126 118.728 118.700 -0.164 0.000 3.116 80 N HA 0.347 5.087 4.740 -0.000 0.000 0.244 80 N C -2.241 173.242 175.510 -0.045 0.000 1.485 80 N CA -0.817 52.116 53.050 -0.194 0.000 0.884 80 N CB 0.800 39.108 38.487 -0.298 0.000 1.415 80 N HN 0.401 nan 8.380 nan 0.000 0.524 81 D N -1.065 119.332 120.400 -0.005 0.000 2.456 81 D HA 0.472 5.112 4.640 -0.000 0.000 0.219 81 D C 1.026 177.354 176.300 0.048 0.000 1.126 81 D CA 0.945 54.965 54.000 0.033 0.000 0.890 81 D CB -0.440 40.384 40.800 0.041 0.000 1.025 81 D HN 0.944 nan 8.370 nan 0.000 0.511 82 G N 2.426 111.261 108.800 0.059 0.000 2.176 82 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.253 82 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.253 82 G C 0.766 175.711 174.900 0.075 0.000 0.979 82 G CA 0.101 45.240 45.100 0.066 0.000 0.641 82 G HN 0.809 nan 8.290 nan 0.000 0.530 83 G N -0.750 108.093 108.800 0.073 0.000 2.582 83 G HA2 0.622 4.582 3.960 -0.000 0.000 0.232 83 G HA3 0.622 4.582 3.960 -0.000 0.000 0.232 83 G C 0.080 175.038 174.900 0.096 0.000 1.458 83 G CA -0.147 45.002 45.100 0.081 0.000 1.062 83 G HN 0.953 nan 8.290 nan 0.000 0.566 84 I N -0.669 119.958 120.570 0.094 0.000 2.493 84 I HA 0.546 4.716 4.170 -0.000 0.000 0.298 84 I C -0.939 175.213 176.117 0.057 0.000 0.998 84 I CA -0.827 60.527 61.300 0.090 0.000 1.137 84 I CB 2.158 40.232 38.000 0.123 0.000 1.310 84 I HN 0.123 nan 8.210 nan 0.000 0.445 85 V N 7.747 127.679 119.914 0.031 0.000 2.384 85 V HA 0.297 4.416 4.120 -0.000 0.000 0.287 85 V C -0.442 175.655 176.094 0.006 0.000 1.020 85 V CA -0.684 61.620 62.300 0.007 0.000 0.850 85 V CB 1.445 33.248 31.823 -0.032 0.000 0.987 85 V HN 0.400 nan 8.190 nan 0.000 0.436 86 L N 4.721 125.961 121.223 0.028 0.000 2.312 86 L HA 0.362 4.702 4.340 -0.000 0.000 0.287 86 L C 0.240 177.113 176.870 0.005 0.000 1.091 86 L CA 0.043 54.897 54.840 0.023 0.000 0.846 86 L CB 0.155 42.250 42.059 0.059 0.000 1.219 86 L HN 0.568 nan 8.230 nan 0.000 0.439 87 D N 3.314 123.705 120.400 -0.016 0.000 2.336 87 D HA 0.131 4.771 4.640 -0.000 0.000 0.249 87 D C 0.760 177.055 176.300 -0.008 0.000 1.213 87 D CA -0.014 53.974 54.000 -0.021 0.000 0.870 87 D CB 0.893 41.667 40.800 -0.043 0.000 1.076 87 D HN 0.422 nan 8.370 nan 0.000 0.483 88 L N 3.696 124.920 121.223 0.002 0.000 2.607 88 L HA 0.203 4.543 4.340 -0.000 0.000 0.228 88 L C 2.215 179.094 176.870 0.015 0.000 1.123 88 L CA -0.220 54.626 54.840 0.010 0.000 0.890 88 L CB 0.032 42.099 42.059 0.015 0.000 1.103 88 L HN 0.265 nan 8.230 nan 0.000 0.468 89 R N 0.629 121.136 120.500 0.012 0.000 2.170 89 R HA -0.138 4.202 4.340 -0.000 0.000 0.242 89 R C 1.822 178.133 176.300 0.019 0.000 1.145 89 R CA 1.252 57.364 56.100 0.019 0.000 0.984 89 R CB -0.223 30.086 30.300 0.016 0.000 0.869 89 R HN 0.390 nan 8.270 nan 0.000 0.455 90 L N -0.060 121.170 121.223 0.012 0.000 2.554 90 L HA 0.079 4.419 4.340 -0.000 0.000 0.226 90 L C 0.839 177.719 176.870 0.016 0.000 1.137 90 L CA 0.157 55.004 54.840 0.013 0.000 0.863 90 L CB 0.004 42.067 42.059 0.007 0.000 0.985 90 L HN 0.150 nan 8.230 nan 0.000 0.451 91 M N 2.036 121.648 119.600 0.018 0.000 3.422 91 M HA 0.067 4.547 4.480 -0.000 0.000 0.248 91 M C 0.204 176.521 176.300 0.028 0.000 1.433 91 M CA -0.057 55.256 55.300 0.022 0.000 1.592 91 M CB -0.191 32.423 32.600 0.023 0.000 1.078 91 M HN 0.158 nan 8.290 nan 0.000 0.578 92 N N -0.938 117.778 118.700 0.026 0.000 2.338 92 N HA 0.041 4.781 4.740 -0.000 0.000 0.251 92 N C -0.122 175.402 175.510 0.023 0.000 1.199 92 N CA -0.342 52.725 53.050 0.028 0.000 0.879 92 N CB 0.409 38.912 38.487 0.027 0.000 1.159 92 N HN 0.204 nan 8.380 nan 0.000 0.514 93 S N 0.709 116.423 115.700 0.023 0.000 2.549 93 S HA 0.423 4.892 4.470 -0.000 0.000 0.283 93 S C -0.162 174.450 174.600 0.021 0.000 1.320 93 S CA -0.425 57.789 58.200 0.024 0.000 1.058 93 S CB 0.023 63.237 63.200 0.022 0.000 0.882 93 S HN 0.305 nan 8.310 nan 0.000 0.498 94 I N 4.259 124.842 120.570 0.023 0.000 2.478 94 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 94 I C -0.693 175.440 176.117 0.027 0.000 1.042 94 I CA -0.670 60.632 61.300 0.004 0.000 1.067 94 I CB 1.909 39.895 38.000 -0.024 0.000 1.233 94 I HN 0.756 nan 8.210 nan 0.000 0.431 95 H N 7.078 126.096 119.070 -0.087 0.000 2.505 95 H HA 0.528 5.084 4.556 -0.000 0.000 0.338 95 H C -1.182 174.029 175.328 -0.196 0.000 1.057 95 H CA -0.641 55.334 56.048 -0.122 0.000 1.202 95 H CB 1.179 30.882 29.762 -0.099 0.000 1.466 95 H HN 0.331 nan 8.280 nan 0.000 0.499 96 I N 4.648 124.675 120.570 -0.904 0.000 2.304 96 I HA 0.079 4.249 4.170 -0.000 0.000 0.291 96 I C 0.196 175.709 176.117 -1.007 0.000 1.018 96 I CA -0.423 60.354 61.300 -0.872 0.000 1.260 96 I CB 0.729 38.076 38.000 -1.088 0.000 1.390 96 I HN 0.743 nan 8.210 nan 0.000 0.475 97 D N 5.551 125.646 120.400 -0.507 0.000 2.453 97 D HA 0.057 4.697 4.640 -0.000 0.000 0.223 97 D C 1.438 177.593 176.300 -0.242 0.000 1.183 97 D CA -0.115 53.742 54.000 -0.237 0.000 0.933 97 D CB 0.913 41.700 40.800 -0.022 0.000 1.038 97 D HN 0.669 nan 8.370 nan 0.000 0.513 98 T N 0.927 115.316 114.554 -0.275 0.000 2.788 98 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 98 T C 1.904 176.548 174.700 -0.094 0.000 1.044 98 T CA 1.004 62.998 62.100 -0.177 0.000 1.139 98 T CB -0.155 68.651 68.868 -0.103 0.000 0.867 98 T HN 0.251 nan 8.240 nan 0.000 0.454 99 A N 1.909 124.686 122.820 -0.072 0.000 1.877 99 A HA 0.252 4.572 4.320 -0.000 0.000 0.216 99 A C 2.623 180.178 177.584 -0.049 0.000 1.186 99 A CA 1.572 53.584 52.037 -0.043 0.000 0.620 99 A CB -1.424 17.558 19.000 -0.029 0.000 0.822 99 A HN 0.651 nan 8.150 nan 0.000 0.443 100 G N -1.716 107.047 108.800 -0.061 0.000 3.042 100 G HA2 0.276 4.236 3.960 -0.000 0.000 0.212 100 G HA3 0.276 4.236 3.960 -0.000 0.000 0.212 100 G C 0.537 175.380 174.900 -0.095 0.000 1.166 100 G CA 1.046 46.109 45.100 -0.062 0.000 0.767 100 G HN 1.119 nan 8.290 nan 0.000 0.546 101 S N -0.283 115.347 115.700 -0.117 0.000 3.484 101 S HA -0.188 4.282 4.470 -0.000 0.000 0.384 101 S C 0.508 174.983 174.600 -0.209 0.000 0.932 101 S CA 1.261 59.362 58.200 -0.164 0.000 1.293 101 S CB -1.054 62.048 63.200 -0.162 0.000 0.919 101 S HN 1.091 nan 8.310 nan 0.000 0.540 102 R N -0.040 120.351 120.500 -0.181 0.000 2.734 102 R HA 0.847 5.187 4.340 -0.000 0.000 0.271 102 R C -1.042 175.169 176.300 -0.149 0.000 1.021 102 R CA -0.700 55.304 56.100 -0.161 0.000 0.893 102 R CB 0.919 31.158 30.300 -0.103 0.000 1.244 102 R HN 0.653 nan 8.270 nan 0.000 0.464 103 A N 1.519 124.267 122.820 -0.121 0.000 2.401 103 A HA 0.689 5.009 4.320 -0.000 0.000 0.310 103 A C -0.955 176.608 177.584 -0.035 0.000 1.075 103 A CA -1.005 50.965 52.037 -0.112 0.000 0.746 103 A CB 1.757 20.654 19.000 -0.172 0.000 1.277 103 A HN 0.656 nan 8.150 nan 0.000 0.425 104 R N 1.243 121.754 120.500 0.019 0.000 2.343 104 R HA 0.614 4.954 4.340 -0.000 0.000 0.320 104 R C -1.503 174.808 176.300 0.018 0.000 0.956 104 R CA -0.243 55.877 56.100 0.034 0.000 0.836 104 R CB 1.280 31.602 30.300 0.037 0.000 1.151 104 R HN 0.667 nan 8.270 nan 0.000 0.450 105 I N 1.512 122.092 120.570 0.016 0.000 2.466 105 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 105 I C 0.783 176.928 176.117 0.047 0.000 1.026 105 I CA -0.670 60.632 61.300 0.002 0.000 1.078 105 I CB 2.207 40.174 38.000 -0.054 0.000 1.249 105 I HN 0.609 nan 8.210 nan 0.000 0.429 106 G N 3.113 111.937 108.800 0.040 0.000 2.554 106 G HA2 0.264 4.224 3.960 -0.000 0.000 0.238 106 G HA3 0.264 4.224 3.960 -0.000 0.000 0.238 106 G C 1.047 175.989 174.900 0.071 0.000 1.259 106 G CA 0.037 45.166 45.100 0.049 0.000 0.843 106 G HN 0.910 nan 8.290 nan 0.000 0.582 107 G N 0.166 109.002 108.800 0.060 0.000 2.509 107 G HA2 0.116 4.076 3.960 -0.000 0.000 0.218 107 G HA3 0.116 4.076 3.960 -0.000 0.000 0.218 107 G C 1.255 176.191 174.900 0.060 0.000 1.124 107 G CA 1.061 46.197 45.100 0.060 0.000 0.776 107 G HN 0.991 nan 8.290 nan 0.000 0.547 108 G N -0.387 108.447 108.800 0.055 0.000 3.277 108 G HA2 0.350 4.310 3.960 -0.000 0.000 0.243 108 G HA3 0.350 4.310 3.960 -0.000 0.000 0.243 108 G C 0.179 175.118 174.900 0.066 0.000 1.107 108 G CA -0.187 44.944 45.100 0.051 0.000 0.771 108 G HN 0.206 nan 8.290 nan 0.000 0.544 109 V N 2.695 122.658 119.914 0.083 0.000 2.599 109 V HA 0.045 4.165 4.120 -0.000 0.000 0.300 109 V C 0.364 176.523 176.094 0.110 0.000 1.034 109 V CA -0.181 62.166 62.300 0.077 0.000 1.115 109 V CB 0.948 32.803 31.823 0.053 0.000 0.934 109 V HN 0.128 nan 8.190 nan 0.000 0.485 110 I N 4.517 125.135 120.570 0.081 0.000 2.428 110 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 110 I C 1.616 177.787 176.117 0.091 0.000 1.019 110 I CA 0.281 61.633 61.300 0.088 0.000 1.351 110 I CB 1.041 39.080 38.000 0.066 0.000 1.412 110 I HN 0.695 nan 8.210 nan 0.000 0.513 111 S N 4.927 120.705 115.700 0.129 0.000 2.378 111 S HA -0.223 4.247 4.470 -0.000 0.000 0.229 111 S C 1.977 176.614 174.600 0.063 0.000 1.052 111 S CA 2.051 60.337 58.200 0.143 0.000 1.084 111 S CB -0.410 62.880 63.200 0.151 0.000 0.950 111 S HN 0.950 nan 8.310 nan 0.000 0.440 112 G N 1.648 110.472 108.800 0.040 0.000 2.442 112 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 112 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 112 G C 1.032 175.938 174.900 0.011 0.000 1.141 112 G CA 1.161 46.269 45.100 0.013 0.000 0.763 112 G HN 0.420 nan 8.290 nan 0.000 0.554 113 D N 0.049 120.460 120.400 0.017 0.000 2.117 113 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 113 D C 2.394 178.691 176.300 -0.006 0.000 0.982 113 D CA 0.585 54.591 54.000 0.011 0.000 0.828 113 D CB -0.263 40.547 40.800 0.017 0.000 0.967 113 D HN 0.276 nan 8.370 nan 0.000 0.464 114 L N 0.779 121.982 121.223 -0.033 0.000 2.056 114 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 114 L C 2.236 179.085 176.870 -0.035 0.000 1.078 114 L CA 1.259 56.047 54.840 -0.086 0.000 0.749 114 L CB -0.538 41.379 42.059 -0.237 0.000 0.901 114 L HN -0.154 nan 8.230 nan 0.000 0.433 115 V N 0.135 120.051 119.914 0.004 0.000 2.252 115 V HA -0.368 3.752 4.120 -0.000 0.000 0.249 115 V C 2.617 178.737 176.094 0.042 0.000 1.056 115 V CA 2.390 64.722 62.300 0.052 0.000 1.022 115 V CB -0.782 31.060 31.823 0.032 0.000 0.641 115 V HN 0.488 nan 8.190 nan 0.000 0.445 116 K N -0.304 120.107 120.400 0.018 0.000 2.026 116 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 116 K C 2.233 178.852 176.600 0.032 0.000 1.048 116 K CA 1.802 58.098 56.287 0.015 0.000 0.929 116 K CB -0.207 32.295 32.500 0.005 0.000 0.713 116 K HN 0.389 nan 8.250 nan 0.000 0.439 117 E N 0.998 121.225 120.200 0.044 0.000 2.072 117 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 117 E C 1.795 178.509 176.600 0.189 0.000 0.985 117 E CA 1.364 57.822 56.400 0.097 0.000 0.801 117 E CB -0.143 29.599 29.700 0.070 0.000 0.750 117 E HN 0.280 nan 8.360 nan 0.000 0.452 118 A N 0.739 123.626 122.820 0.112 0.000 1.933 118 A HA -0.032 4.287 4.320 -0.000 0.000 0.218 118 A C 2.413 180.098 177.584 0.167 0.000 1.175 118 A CA 1.918 54.029 52.037 0.123 0.000 0.628 118 A CB -0.947 18.067 19.000 0.024 0.000 0.814 118 A HN 0.362 nan 8.150 nan 0.000 0.444 119 A N -0.122 122.765 122.820 0.111 0.000 1.972 119 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 119 A C 2.023 179.620 177.584 0.023 0.000 1.169 119 A CA 1.778 53.862 52.037 0.079 0.000 0.635 119 A CB -0.429 18.609 19.000 0.064 0.000 0.810 119 A HN 0.555 nan 8.150 nan 0.000 0.446 120 K N -1.420 118.963 120.400 -0.029 0.000 2.211 120 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 120 K C 0.417 176.763 176.600 -0.423 0.000 1.047 120 K CA 1.407 57.539 56.287 -0.258 0.000 0.935 120 K CB -0.247 32.007 32.500 -0.410 0.000 0.728 120 K HN 0.598 nan 8.250 nan 0.000 0.452 121 F N -0.397 119.531 119.950 -0.038 0.000 2.639 121 F HA 0.248 4.775 4.527 -0.000 0.000 0.302 121 F C 1.115 176.895 175.800 -0.033 0.000 1.097 121 F CA -0.071 57.903 58.000 -0.045 0.000 1.294 121 F CB 0.886 39.844 39.000 -0.071 0.000 1.027 121 F HN 0.054 nan 8.300 nan 0.000 0.550 122 G N 1.297 110.151 108.800 0.091 0.000 2.176 122 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 122 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 122 G C -0.235 174.707 174.900 0.069 0.000 1.024 122 G CA 0.036 45.175 45.100 0.065 0.000 0.755 122 G HN 0.336 nan 8.290 nan 0.000 0.507 123 L N -0.826 120.446 121.223 0.082 0.000 2.333 123 L HA 0.909 5.249 4.340 -0.000 0.000 0.263 123 L C 0.283 177.181 176.870 0.046 0.000 1.014 123 L CA -0.796 54.067 54.840 0.038 0.000 0.820 123 L CB 2.312 44.370 42.059 -0.003 0.000 1.352 123 L HN 0.373 nan 8.230 nan 0.000 0.421 124 A N 1.033 123.855 122.820 0.003 0.000 2.393 124 A HA 0.878 5.197 4.320 -0.000 0.000 0.306 124 A C -0.771 176.802 177.584 -0.018 0.000 1.050 124 A CA -0.465 51.583 52.037 0.019 0.000 0.724 124 A CB 1.672 20.607 19.000 -0.108 0.000 1.248 124 A HN 0.724 nan 8.150 nan 0.000 0.424 125 A N 1.281 124.121 122.820 0.032 0.000 2.304 125 A HA 0.622 4.942 4.320 -0.000 0.000 0.301 125 A C -0.116 177.547 177.584 0.132 0.000 1.132 125 A CA -0.419 51.633 52.037 0.026 0.000 0.819 125 A CB 0.543 19.498 19.000 -0.074 0.000 1.094 125 A HN 1.244 nan 8.150 nan 0.000 0.492 126 V N 3.100 123.119 119.914 0.174 0.000 2.397 126 V HA 0.382 4.502 4.120 -0.000 0.000 0.262 126 V C 0.891 177.157 176.094 0.288 0.000 1.047 126 V CA 0.702 63.123 62.300 0.202 0.000 1.003 126 V CB -0.383 31.551 31.823 0.184 0.000 1.037 126 V HN 1.129 nan 8.190 nan 0.000 0.480 127 T N 2.176 116.898 114.554 0.280 0.000 2.773 127 T HA 0.781 5.131 4.350 -0.000 0.000 0.278 127 T C 0.436 175.204 174.700 0.114 0.000 1.011 127 T CA -0.132 62.134 62.100 0.277 0.000 1.014 127 T CB 1.625 70.678 68.868 0.307 0.000 1.293 127 T HN 0.676 nan 8.240 nan 0.000 0.554 128 G N -0.488 108.336 108.800 0.039 0.000 2.553 128 G HA2 0.456 4.416 3.960 -0.000 0.000 0.278 128 G HA3 0.456 4.416 3.960 -0.000 0.000 0.278 128 G C 0.571 175.423 174.900 -0.079 0.000 1.349 128 G CA -0.799 44.253 45.100 -0.081 0.000 1.037 128 G HN 0.758 nan 8.290 nan 0.000 0.508 129 M N -0.743 118.747 119.600 -0.183 0.000 2.541 129 M HA 0.111 4.590 4.480 -0.000 0.000 0.252 129 M C 0.522 176.830 176.300 0.012 0.000 1.125 129 M CA 0.407 55.588 55.300 -0.198 0.000 1.091 129 M CB 0.152 32.460 32.600 -0.488 0.000 1.420 129 M HN 0.377 nan 8.290 nan 0.000 0.486 130 H N 1.711 120.721 119.070 -0.099 0.000 2.511 130 H HA 0.232 4.788 4.556 -0.000 0.000 0.328 130 H C -2.000 173.259 175.328 -0.115 0.000 1.044 130 H CA -1.710 54.274 56.048 -0.108 0.000 1.212 130 H CB 1.911 31.551 29.762 -0.204 0.000 1.428 130 H HN -0.063 nan 8.280 nan 0.000 0.483 131 P HA -0.074 nan 4.420 nan 0.000 0.230 131 P C 0.780 178.100 177.300 0.033 0.000 1.158 131 P CA 0.535 63.611 63.100 -0.040 0.000 0.769 131 P CB 0.615 32.263 31.700 -0.088 0.000 0.807 132 K N 0.138 120.626 120.400 0.146 0.000 2.418 132 K HA 0.079 4.399 4.320 -0.000 0.000 0.195 132 K C 1.044 177.554 176.600 -0.151 0.000 1.035 132 K CA -0.115 56.202 56.287 0.050 0.000 1.003 132 K CB -0.597 31.996 32.500 0.154 0.000 0.793 132 K HN 0.165 nan 8.250 nan 0.000 0.494 133 V N 0.479 120.234 119.914 -0.266 0.000 2.686 133 V HA 0.498 4.617 4.120 -0.000 0.000 0.295 133 V C 0.373 176.444 176.094 -0.039 0.000 1.055 133 V CA -0.591 61.548 62.300 -0.268 0.000 1.050 133 V CB 0.896 32.519 31.823 -0.333 0.000 0.984 133 V HN 0.279 nan 8.190 nan 0.000 0.482 134 G N 4.243 113.049 108.800 0.010 0.000 2.380 134 G HA2 0.130 4.090 3.960 -0.000 0.000 0.242 134 G HA3 0.130 4.090 3.960 -0.000 0.000 0.242 134 G C 0.021 174.960 174.900 0.067 0.000 1.298 134 G CA 0.236 45.370 45.100 0.057 0.000 0.878 134 G HN 0.981 nan 8.290 nan 0.000 0.542 135 F N 1.938 121.884 119.950 -0.006 0.000 2.095 135 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 135 F C 2.564 178.359 175.800 -0.008 0.000 1.104 135 F CA 1.747 59.744 58.000 -0.005 0.000 1.232 135 F CB -0.251 38.752 39.000 0.005 0.000 0.987 135 F HN 0.413 nan 8.300 nan 0.000 0.475 136 C N 0.310 119.558 119.300 -0.088 0.000 2.457 136 C HA 0.021 4.481 4.460 -0.000 0.000 0.278 136 C C 3.073 177.950 174.990 -0.188 0.000 1.309 136 C CA 1.026 59.936 59.018 -0.181 0.000 1.735 136 C CB -1.865 25.852 27.740 -0.038 0.000 1.992 136 C HN 0.705 nan 8.230 nan 0.000 0.493 137 G N 0.351 109.082 108.800 -0.116 0.000 2.448 137 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 137 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 137 G C 1.539 176.373 174.900 -0.109 0.000 1.127 137 G CA 1.051 46.092 45.100 -0.097 0.000 0.766 137 G HN 0.535 nan 8.290 nan 0.000 0.552 138 L N 0.416 121.543 121.223 -0.161 0.000 2.071 138 L HA 0.418 4.758 4.340 -0.000 0.000 0.201 138 L C 2.948 179.676 176.870 -0.236 0.000 1.076 138 L CA 1.978 56.718 54.840 -0.167 0.000 0.755 138 L CB -0.387 41.563 42.059 -0.183 0.000 0.915 138 L HN 0.128 nan 8.230 nan 0.000 0.445 139 A N -0.485 122.063 122.820 -0.453 0.000 1.970 139 A HA 0.030 4.349 4.320 -0.000 0.000 0.216 139 A C 2.130 179.543 177.584 -0.286 0.000 1.170 139 A CA 1.180 52.933 52.037 -0.474 0.000 0.645 139 A CB -0.845 17.569 19.000 -0.977 0.000 0.816 139 A HN 0.495 nan 8.150 nan 0.000 0.447 140 L N -0.147 120.925 121.223 -0.251 0.000 2.456 140 L HA -0.056 4.284 4.340 -0.000 0.000 0.224 140 L C 1.045 177.853 176.870 -0.104 0.000 1.148 140 L CA 0.554 55.294 54.840 -0.166 0.000 0.825 140 L CB -0.313 41.651 42.059 -0.158 0.000 0.937 140 L HN 0.340 nan 8.230 nan 0.000 0.450 141 N N -0.478 118.179 118.700 -0.073 0.000 2.204 141 N HA 0.187 4.927 4.740 -0.000 0.000 0.219 141 N C 0.891 176.430 175.510 0.048 0.000 1.151 141 N CA 0.861 53.949 53.050 0.062 0.000 0.867 141 N CB 1.575 40.146 38.487 0.140 0.000 1.043 141 N HN 0.378 nan 8.380 nan 0.000 0.516 142 G N 0.527 109.301 108.800 -0.044 0.000 2.952 142 G HA2 0.061 4.021 3.960 -0.000 0.000 0.226 142 G HA3 0.061 4.021 3.960 -0.000 0.000 0.226 142 G C -0.082 174.755 174.900 -0.104 0.000 1.462 142 G CA 0.080 45.134 45.100 -0.076 0.000 1.157 142 G HN 0.794 nan 8.290 nan 0.000 0.544 143 G N -1.102 107.638 108.800 -0.101 0.000 3.238 143 G HA2 0.492 4.452 3.960 -0.000 0.000 0.684 143 G HA3 0.492 4.452 3.960 -0.000 0.000 0.684 143 G C 0.065 174.858 174.900 -0.179 0.000 1.156 143 G CA 0.532 45.555 45.100 -0.128 0.000 1.048 143 G HN 2.205 nan 8.290 nan 0.000 0.462 144 V N 1.519 121.283 119.914 -0.250 0.000 2.743 144 V HA 1.062 5.182 4.120 -0.000 0.000 0.301 144 V C 0.894 176.674 176.094 -0.523 0.000 1.057 144 V CA 0.513 62.524 62.300 -0.482 0.000 1.006 144 V CB 1.695 33.099 31.823 -0.698 0.000 1.024 144 V HN 2.253 nan 8.190 nan 0.000 0.473 145 G N 1.307 109.739 108.800 -0.614 0.000 2.619 145 G HA2 0.475 4.435 3.960 -0.000 0.000 0.305 145 G HA3 0.475 4.435 3.960 -0.000 0.000 0.305 145 G C -0.593 174.066 174.900 -0.401 0.000 1.330 145 G CA -0.532 44.290 45.100 -0.463 0.000 0.789 145 G HN 0.496 nan 8.290 nan 0.000 0.487 146 F N -0.155 119.807 119.950 0.019 0.000 2.269 146 F HA 0.124 4.651 4.527 -0.000 0.000 0.301 146 F C 2.433 178.272 175.800 0.065 0.000 1.082 146 F CA 0.957 59.022 58.000 0.109 0.000 1.360 146 F CB -0.064 39.100 39.000 0.273 0.000 1.041 146 F HN 0.052 nan 8.300 nan 0.000 0.512 147 L N -1.081 120.256 121.223 0.189 0.000 2.591 147 L HA -0.017 4.322 4.340 -0.000 0.000 0.228 147 L C 2.002 178.851 176.870 -0.035 0.000 1.133 147 L CA 0.259 55.143 54.840 0.073 0.000 0.880 147 L CB -0.866 41.240 42.059 0.077 0.000 1.033 147 L HN 0.073 nan 8.230 nan 0.000 0.450 148 T N 0.780 115.248 114.554 -0.142 0.000 2.699 148 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 148 T C -0.489 174.033 174.700 -0.296 0.000 1.036 148 T CA 1.496 63.411 62.100 -0.309 0.000 1.147 148 T CB -0.953 67.566 68.868 -0.582 0.000 0.862 148 T HN 0.238 nan 8.240 nan 0.000 0.446 149 P HA -0.057 nan 4.420 nan 0.000 0.217 149 P C 1.350 178.502 177.300 -0.247 0.000 1.148 149 P CA 1.303 64.300 63.100 -0.173 0.000 0.828 149 P CB 0.029 31.653 31.700 -0.128 0.000 0.783 150 K N -2.740 117.443 120.400 -0.362 0.000 2.244 150 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 150 K C 0.971 177.129 176.600 -0.737 0.000 1.052 150 K CA 0.950 56.848 56.287 -0.648 0.000 0.980 150 K CB 0.173 32.053 32.500 -1.034 0.000 0.838 150 K HN 0.183 nan 8.250 nan 0.000 0.481 151 Y N -0.121 120.043 120.300 -0.227 0.000 2.527 151 Y HA 0.272 4.822 4.550 -0.000 0.000 0.247 151 Y C 0.844 176.676 175.900 -0.114 0.000 1.138 151 Y CA -0.041 57.905 58.100 -0.256 0.000 1.228 151 Y CB 1.018 39.195 38.460 -0.471 0.000 1.252 151 Y HN 0.184 nan 8.280 nan 0.000 0.531 152 G N 0.893 109.678 108.800 -0.026 0.000 2.642 152 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.231 152 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.231 152 G C -0.454 174.407 174.900 -0.065 0.000 1.338 152 G CA -0.561 44.536 45.100 -0.004 0.000 0.883 152 G HN 0.141 nan 8.290 nan 0.000 0.570 153 L N 0.710 121.940 121.223 0.012 0.000 2.452 153 L HA 0.431 4.771 4.340 -0.000 0.000 0.267 153 L C 2.386 179.258 176.870 0.003 0.000 1.188 153 L CA 0.085 54.892 54.840 -0.056 0.000 0.821 153 L CB 0.543 42.551 42.059 -0.085 0.000 1.102 153 L HN 1.116 nan 8.230 nan 0.000 0.470 154 A N 1.504 124.307 122.820 -0.030 0.000 1.917 154 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 154 A C 2.346 179.937 177.584 0.012 0.000 1.182 154 A CA 2.150 54.200 52.037 0.021 0.000 0.633 154 A CB -0.841 18.126 19.000 -0.055 0.000 0.819 154 A HN 0.935 nan 8.150 nan 0.000 0.448 155 S N 0.409 116.078 115.700 -0.052 0.000 2.400 155 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 155 S C 1.154 175.754 174.600 -0.000 0.000 1.025 155 S CA 1.531 59.695 58.200 -0.059 0.000 0.993 155 S CB -0.602 62.546 63.200 -0.086 0.000 0.808 155 S HN 0.561 nan 8.310 nan 0.000 0.478 156 D N 1.862 122.304 120.400 0.069 0.000 2.371 156 D HA 0.055 4.695 4.640 -0.000 0.000 0.221 156 D C 0.943 177.333 176.300 0.150 0.000 0.986 156 D CA 0.484 54.558 54.000 0.123 0.000 0.899 156 D CB -0.375 40.547 40.800 0.202 0.000 0.902 156 D HN 0.562 nan 8.370 nan 0.000 0.530 157 N N 0.187 118.983 118.700 0.160 0.000 2.203 157 N HA 0.114 4.854 4.740 -0.000 0.000 0.207 157 N C 0.248 175.865 175.510 0.177 0.000 1.130 157 N CA -0.109 53.060 53.050 0.199 0.000 0.861 157 N CB 1.561 40.200 38.487 0.253 0.000 1.005 157 N HN 0.183 nan 8.380 nan 0.000 0.507 158 I N 1.563 122.230 120.570 0.162 0.000 2.556 158 I HA 0.000 4.170 4.170 -0.000 0.000 0.284 158 I C 1.379 177.680 176.117 0.306 0.000 1.114 158 I CA 0.076 61.491 61.300 0.192 0.000 1.418 158 I CB 0.997 39.062 38.000 0.108 0.000 1.394 158 I HN -0.080 nan 8.210 nan 0.000 0.552 159 L N 5.737 127.122 121.223 0.270 0.000 2.515 159 L HA 0.425 4.765 4.340 -0.000 0.000 0.223 159 L C 0.899 177.842 176.870 0.122 0.000 1.079 159 L CA -0.010 54.962 54.840 0.220 0.000 0.857 159 L CB 0.100 42.220 42.059 0.101 0.000 1.050 159 L HN 0.775 nan 8.230 nan 0.000 0.476 160 G N -0.398 108.530 108.800 0.214 0.000 2.579 160 G HA2 0.672 4.632 3.960 -0.000 0.000 0.292 160 G HA3 0.672 4.632 3.960 -0.000 0.000 0.292 160 G C -2.148 172.841 174.900 0.148 0.000 1.484 160 G CA 0.088 45.236 45.100 0.081 0.000 0.813 160 G HN -0.001 nan 8.290 nan 0.000 0.515 161 A N 0.095 122.904 122.820 -0.018 0.000 2.488 161 A HA 0.847 5.166 4.320 -0.000 0.000 0.298 161 A C -0.339 177.291 177.584 0.076 0.000 1.044 161 A CA -0.508 51.566 52.037 0.061 0.000 0.693 161 A CB 1.728 20.743 19.000 0.026 0.000 1.272 161 A HN 0.965 nan 8.150 nan 0.000 0.402 162 T N 2.460 117.119 114.554 0.174 0.000 2.767 162 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 162 T C -0.542 174.195 174.700 0.061 0.000 0.963 162 T CA 0.143 62.342 62.100 0.164 0.000 1.019 162 T CB 0.188 69.150 68.868 0.158 0.000 0.923 162 T HN 0.403 nan 8.240 nan 0.000 0.468 163 L N 3.216 124.460 121.223 0.035 0.000 2.381 163 L HA 0.592 4.931 4.340 -0.000 0.000 0.268 163 L C -0.459 176.423 176.870 0.019 0.000 0.997 163 L CA -0.876 53.958 54.840 -0.011 0.000 0.818 163 L CB 2.165 44.189 42.059 -0.058 0.000 1.310 163 L HN 0.353 nan 8.230 nan 0.000 0.416 164 V N 1.032 120.952 119.914 0.009 0.000 2.383 164 V HA 0.484 4.604 4.120 -0.000 0.000 0.275 164 V C 0.553 176.693 176.094 0.076 0.000 1.036 164 V CA -0.556 61.778 62.300 0.056 0.000 0.889 164 V CB 1.369 33.235 31.823 0.071 0.000 0.985 164 V HN 0.930 nan 8.190 nan 0.000 0.459 165 T N 2.437 117.079 114.554 0.146 0.000 2.810 165 T HA 0.505 4.855 4.350 -0.000 0.000 0.277 165 T C 1.456 176.375 174.700 0.364 0.000 0.973 165 T CA 0.080 62.323 62.100 0.238 0.000 0.949 165 T CB 1.387 70.402 68.868 0.245 0.000 1.075 165 T HN 0.713 nan 8.240 nan 0.000 0.537 166 A N 0.476 123.577 122.820 0.468 0.000 2.024 166 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 166 A C 2.447 180.113 177.584 0.137 0.000 1.164 166 A CA 2.070 54.277 52.037 0.282 0.000 0.643 166 A CB -1.664 17.416 19.000 0.133 0.000 0.806 166 A HN 1.098 nan 8.150 nan 0.000 0.451 167 T N -4.867 109.773 114.554 0.142 0.000 3.088 167 T HA 0.379 4.729 4.350 -0.000 0.000 0.259 167 T C 1.424 176.182 174.700 0.097 0.000 1.122 167 T CA 1.143 63.300 62.100 0.094 0.000 1.095 167 T CB 0.065 68.981 68.868 0.080 0.000 0.930 167 T HN 1.680 nan 8.240 nan 0.000 0.508 168 G N 0.955 109.831 108.800 0.126 0.000 2.176 168 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.232 168 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.232 168 G C -0.235 174.724 174.900 0.099 0.000 0.986 168 G CA -0.042 45.125 45.100 0.112 0.000 0.643 168 G HN 0.705 nan 8.290 nan 0.000 0.522 169 D N 0.627 121.090 120.400 0.105 0.000 2.424 169 D HA 0.404 5.044 4.640 -0.000 0.000 0.244 169 D C 0.590 176.949 176.300 0.098 0.000 1.134 169 D CA 0.119 54.176 54.000 0.096 0.000 0.881 169 D CB 1.265 42.129 40.800 0.106 0.000 1.191 169 D HN 0.212 nan 8.370 nan 0.000 0.445 170 V N 5.684 125.648 119.914 0.083 0.000 2.350 170 V HA 0.368 4.487 4.120 -0.000 0.000 0.276 170 V C 0.469 176.617 176.094 0.090 0.000 1.028 170 V CA -0.540 61.807 62.300 0.078 0.000 0.860 170 V CB 0.411 32.271 31.823 0.063 0.000 0.990 170 V HN 0.424 nan 8.190 nan 0.000 0.453 171 I N 2.154 122.783 120.570 0.099 0.000 3.042 171 I HA 0.722 4.892 4.170 -0.000 0.000 0.310 171 I C -1.435 174.770 176.117 0.147 0.000 1.117 171 I CA -1.164 60.207 61.300 0.118 0.000 1.003 171 I CB 2.323 40.396 38.000 0.121 0.000 1.228 171 I HN 0.477 nan 8.210 nan 0.000 0.443 172 Y N 3.667 123.975 120.300 0.013 0.000 2.468 172 Y HA 0.752 5.301 4.550 -0.000 0.000 0.342 172 Y C -0.555 175.342 175.900 -0.006 0.000 1.021 172 Y CA -1.121 56.978 58.100 -0.001 0.000 1.079 172 Y CB 1.711 40.165 38.460 -0.010 0.000 1.226 172 Y HN 1.043 nan 8.280 nan 0.000 0.460 173 C N 3.185 121.965 119.300 -0.866 0.000 2.797 173 C HA 0.990 5.450 4.460 -0.000 0.000 0.306 173 C C -0.571 173.809 174.990 -1.016 0.000 1.207 173 C CA -0.049 58.569 59.018 -0.667 0.000 1.507 173 C CB 0.757 28.351 27.740 -0.243 0.000 2.028 173 C HN 1.108 nan 8.230 nan 0.000 0.475 174 S N 0.447 115.686 115.700 -0.769 0.000 2.724 174 S HA 0.497 4.967 4.470 -0.000 0.000 0.278 174 S C 0.302 174.248 174.600 -1.090 0.000 1.190 174 S CA 0.345 57.849 58.200 -1.159 0.000 0.860 174 S CB 0.752 63.642 63.200 -0.516 0.000 1.206 174 S HN 0.998 nan 8.310 nan 0.000 0.507 175 D N 0.355 120.163 120.400 -0.986 0.000 2.263 175 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 175 D C 0.557 176.763 176.300 -0.157 0.000 0.971 175 D CA 1.366 55.140 54.000 -0.377 0.000 0.867 175 D CB -0.463 40.230 40.800 -0.178 0.000 0.929 175 D HN 0.546 nan 8.370 nan 0.000 0.492 176 D N -0.374 119.932 120.400 -0.158 0.000 2.423 176 D HA 0.024 4.664 4.640 -0.000 0.000 0.212 176 D C 0.052 176.337 176.300 -0.024 0.000 1.060 176 D CA 0.160 54.126 54.000 -0.055 0.000 0.872 176 D CB 0.605 41.389 40.800 -0.026 0.000 1.012 176 D HN 0.253 nan 8.370 nan 0.000 0.503 177 E N 0.952 121.124 120.200 -0.046 0.000 2.185 177 E HA 0.288 4.638 4.350 -0.000 0.000 0.261 177 E C -0.689 175.890 176.600 -0.035 0.000 0.879 177 E CA -0.547 55.858 56.400 0.008 0.000 0.756 177 E CB 0.578 30.356 29.700 0.131 0.000 1.152 177 E HN -0.137 nan 8.360 nan 0.000 0.416 178 R N 4.089 124.601 120.500 0.020 0.000 3.264 178 R HA -0.135 4.205 4.340 -0.000 0.000 0.251 178 R C -1.721 174.606 176.300 0.044 0.000 0.971 178 R CA 0.508 56.634 56.100 0.043 0.000 0.658 178 R CB -0.996 29.324 30.300 0.034 0.000 1.095 178 R HN 0.575 nan 8.270 nan 0.000 0.443 179 P HA -0.190 nan 4.420 nan 0.000 0.219 179 P C 0.988 178.398 177.300 0.184 0.000 1.146 179 P CA 1.236 64.416 63.100 0.133 0.000 0.808 179 P CB 0.314 32.065 31.700 0.085 0.000 0.779 180 E N -0.050 120.215 120.200 0.109 0.000 2.072 180 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 180 E C 1.946 178.601 176.600 0.091 0.000 0.982 180 E CA 0.491 56.955 56.400 0.107 0.000 0.803 180 E CB -1.131 28.601 29.700 0.053 0.000 0.755 180 E HN 0.028 nan 8.360 nan 0.000 0.453 181 L N -0.036 121.160 121.223 -0.044 0.000 2.046 181 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 181 L C 2.090 178.834 176.870 -0.209 0.000 1.077 181 L CA 1.779 56.422 54.840 -0.328 0.000 0.747 181 L CB -0.893 40.812 42.059 -0.590 0.000 0.896 181 L HN 0.264 nan 8.230 nan 0.000 0.432 182 F N -0.722 119.117 119.950 -0.184 0.000 2.095 182 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 182 F C 2.209 177.974 175.800 -0.059 0.000 1.104 182 F CA 2.022 59.937 58.000 -0.142 0.000 1.232 182 F CB -0.954 37.977 39.000 -0.115 0.000 0.987 182 F HN 0.398 nan 8.300 nan 0.000 0.475 183 W N 1.238 122.390 121.300 -0.248 0.000 2.318 183 W HA -0.233 4.427 4.660 -0.000 0.000 0.313 183 W C 2.336 178.687 176.519 -0.280 0.000 1.221 183 W CA 2.956 60.132 57.345 -0.282 0.000 1.266 183 W CB -0.901 28.488 29.460 -0.118 0.000 1.150 183 W HN 0.090 nan 8.180 nan 0.000 0.496 184 A N -0.260 122.337 122.820 -0.371 0.000 1.930 184 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 184 A C 2.012 179.355 177.584 -0.402 0.000 1.175 184 A CA 2.004 53.669 52.037 -0.620 0.000 0.627 184 A CB -1.157 17.477 19.000 -0.611 0.000 0.815 184 A HN 0.223 nan 8.150 nan 0.000 0.443 185 V N 0.432 120.137 119.914 -0.349 0.000 2.490 185 V HA -0.166 3.954 4.120 -0.000 0.000 0.250 185 V C 1.466 177.408 176.094 -0.254 0.000 1.061 185 V CA 1.389 63.572 62.300 -0.194 0.000 1.064 185 V CB -0.736 30.973 31.823 -0.189 0.000 0.670 185 V HN 0.480 nan 8.190 nan 0.000 0.461 186 R N 0.437 120.691 120.500 -0.410 0.000 4.792 186 R HA 0.353 4.693 4.340 -0.000 0.000 0.205 186 R C 1.041 177.184 176.300 -0.262 0.000 1.875 186 R CA 0.681 56.575 56.100 -0.343 0.000 1.588 186 R CB -0.227 29.815 30.300 -0.429 0.000 1.401 186 R HN 0.518 nan 8.270 nan 0.000 0.834 187 G N -0.678 108.019 108.800 -0.172 0.000 3.259 187 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 187 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 187 G C 0.387 175.335 174.900 0.079 0.000 0.993 187 G CA 0.028 45.106 45.100 -0.036 0.000 0.836 187 G HN 0.422 nan 8.290 nan 0.000 0.514 188 A N 0.579 123.371 122.820 -0.047 0.000 2.630 188 A HA 0.669 4.988 4.320 -0.000 0.000 0.287 188 A C 1.974 179.487 177.584 -0.118 0.000 1.040 188 A CA 1.315 53.317 52.037 -0.057 0.000 0.971 188 A CB -0.165 18.701 19.000 -0.223 0.000 1.241 188 A HN 1.348 nan 8.150 nan 0.000 0.558 189 G N 1.899 110.657 108.800 -0.071 0.000 2.513 189 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 189 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 189 G C -0.322 174.445 174.900 -0.221 0.000 1.160 189 G CA 1.722 46.792 45.100 -0.051 0.000 0.767 189 G HN 0.475 nan 8.290 nan 0.000 0.571 190 P HA -0.052 nan 4.420 nan 0.000 0.223 190 P C 1.601 178.607 177.300 -0.490 0.000 1.144 190 P CA 0.711 63.588 63.100 -0.370 0.000 0.783 190 P CB -0.013 31.484 31.700 -0.339 0.000 0.771 191 N N -1.494 116.774 118.700 -0.719 0.000 2.396 191 N HA -0.037 4.703 4.740 -0.000 0.000 0.180 191 N C 0.730 175.723 175.510 -0.861 0.000 1.028 191 N CA 1.059 53.567 53.050 -0.904 0.000 0.893 191 N CB -0.125 37.554 38.487 -1.346 0.000 0.967 191 N HN 0.234 nan 8.380 nan 0.000 0.440 192 F N -0.530 119.299 119.950 -0.201 0.000 2.720 192 F HA 0.395 4.922 4.527 -0.000 0.000 0.301 192 F C 1.435 177.075 175.800 -0.266 0.000 1.103 192 F CA -0.174 57.736 58.000 -0.150 0.000 1.291 192 F CB 0.525 39.400 39.000 -0.208 0.000 1.086 192 F HN -0.137 nan 8.300 nan 0.000 0.592 193 G N -0.376 108.076 108.800 -0.581 0.000 2.333 193 G HA2 0.361 4.320 3.960 -0.000 0.000 0.288 193 G HA3 0.361 4.320 3.960 -0.000 0.000 0.288 193 G C -2.041 172.365 174.900 -0.823 0.000 1.286 193 G CA -0.860 43.710 45.100 -0.883 0.000 0.865 193 G HN -0.205 nan 8.290 nan 0.000 0.506 194 V N 0.655 120.272 119.914 -0.495 0.000 2.370 194 V HA 0.492 4.612 4.120 -0.000 0.000 0.279 194 V C 0.457 176.468 176.094 -0.138 0.000 1.029 194 V CA -0.674 61.469 62.300 -0.263 0.000 0.870 194 V CB 1.228 32.995 31.823 -0.094 0.000 0.984 194 V HN 0.652 nan 8.190 nan 0.000 0.451 195 V N 5.328 125.174 119.914 -0.113 0.000 2.427 195 V HA 0.139 4.259 4.120 -0.000 0.000 0.268 195 V C 1.451 177.540 176.094 -0.008 0.000 1.046 195 V CA 0.659 62.930 62.300 -0.049 0.000 0.970 195 V CB 1.111 32.907 31.823 -0.044 0.000 1.001 195 V HN 1.100 nan 8.190 nan 0.000 0.476 196 T N 0.891 115.453 114.554 0.014 0.000 3.037 196 T HA 0.221 4.571 4.350 -0.000 0.000 0.251 196 T C 0.390 175.116 174.700 0.043 0.000 1.079 196 T CA 0.097 62.213 62.100 0.027 0.000 1.067 196 T CB 0.396 69.281 68.868 0.029 0.000 0.948 196 T HN 0.624 nan 8.240 nan 0.000 0.496 197 E N -0.138 120.098 120.200 0.059 0.000 2.347 197 E HA 0.537 4.887 4.350 -0.000 0.000 0.285 197 E C -2.200 174.462 176.600 0.104 0.000 0.925 197 E CA -0.750 55.696 56.400 0.075 0.000 0.779 197 E CB 2.918 32.658 29.700 0.066 0.000 1.233 197 E HN 0.067 nan 8.360 nan 0.000 0.414 198 V N 3.283 123.270 119.914 0.120 0.000 2.735 198 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 198 V C -1.120 175.058 176.094 0.140 0.000 1.061 198 V CA -0.423 61.969 62.300 0.153 0.000 0.913 198 V CB 1.914 33.858 31.823 0.201 0.000 1.005 198 V HN 0.737 nan 8.190 nan 0.000 0.428 199 E N 3.485 123.777 120.200 0.152 0.000 2.171 199 E HA 0.634 4.984 4.350 -0.000 0.000 0.271 199 E C -1.716 174.954 176.600 0.117 0.000 0.916 199 E CA -0.392 56.076 56.400 0.113 0.000 0.774 199 E CB 2.180 31.953 29.700 0.123 0.000 1.128 199 E HN 0.520 nan 8.360 nan 0.000 0.403 200 V N 3.497 123.444 119.914 0.055 0.000 2.760 200 V HA 0.146 4.266 4.120 -0.000 0.000 0.309 200 V C -0.305 175.757 176.094 -0.053 0.000 1.077 200 V CA -0.795 61.536 62.300 0.052 0.000 0.910 200 V CB 2.160 34.023 31.823 0.066 0.000 1.008 200 V HN 0.664 nan 8.190 nan 0.000 0.424 201 Q N 3.444 123.200 119.800 -0.072 0.000 2.313 201 Q HA 0.509 4.849 4.340 -0.000 0.000 0.266 201 Q C -1.286 174.413 176.000 -0.502 0.000 0.989 201 Q CA 0.052 55.692 55.803 -0.271 0.000 0.890 201 Q CB 0.786 29.379 28.738 -0.242 0.000 1.200 201 Q HN 0.625 nan 8.270 nan 0.000 0.396 202 L N 3.817 124.667 121.223 -0.622 0.000 2.330 202 L HA 0.559 4.899 4.340 -0.000 0.000 0.271 202 L C -1.023 175.285 176.870 -0.937 0.000 1.013 202 L CA -1.038 53.432 54.840 -0.617 0.000 0.816 202 L CB 1.078 42.950 42.059 -0.312 0.000 1.287 202 L HN 0.668 nan 8.230 nan 0.000 0.435 203 Y N -1.035 119.110 120.300 -0.258 0.000 2.602 203 Y HA 0.344 4.894 4.550 -0.000 0.000 0.342 203 Y C 0.009 175.821 175.900 -0.148 0.000 1.029 203 Y CA -1.215 56.713 58.100 -0.286 0.000 1.080 203 Y CB 1.034 39.084 38.460 -0.683 0.000 1.284 203 Y HN 0.398 nan 8.280 nan 0.000 0.485 204 E N 1.611 121.869 120.200 0.097 0.000 2.452 204 E HA 0.016 4.366 4.350 -0.000 0.000 0.261 204 E C -0.688 175.950 176.600 0.063 0.000 0.987 204 E CA -0.256 56.186 56.400 0.071 0.000 0.926 204 E CB 0.876 30.627 29.700 0.085 0.000 0.934 204 E HN 0.483 nan 8.360 nan 0.000 0.452 205 L N 5.641 126.896 121.223 0.053 0.000 2.433 205 L HA 0.152 4.492 4.340 -0.000 0.000 0.275 205 L C -2.294 174.618 176.870 0.069 0.000 1.128 205 L CA -1.176 53.701 54.840 0.062 0.000 0.875 205 L CB 0.196 42.306 42.059 0.085 0.000 1.171 205 L HN 0.196 nan 8.230 nan 0.000 0.463 206 P HA 0.166 nan 4.420 nan 0.000 0.267 206 P C -0.321 177.034 177.300 0.093 0.000 1.209 206 P CA 0.161 63.308 63.100 0.078 0.000 0.763 206 P CB 0.552 32.298 31.700 0.077 0.000 0.816 207 R N 2.308 122.846 120.500 0.062 0.000 2.279 207 R HA 0.151 4.490 4.340 -0.000 0.000 0.195 207 R C 0.356 176.675 176.300 0.030 0.000 0.905 207 R CA 0.414 56.542 56.100 0.046 0.000 1.044 207 R CB 0.475 30.795 30.300 0.033 0.000 1.056 207 R HN 0.392 nan 8.270 nan 0.000 0.535 208 K N 1.192 121.608 120.400 0.028 0.000 3.084 208 K HA 0.331 4.651 4.320 -0.000 0.000 0.172 208 K C -0.839 175.767 176.600 0.010 0.000 1.078 208 K CA -0.116 56.177 56.287 0.010 0.000 0.875 208 K CB 1.172 33.672 32.500 -0.000 0.000 1.064 208 K HN -0.089 nan 8.250 nan 0.000 0.597 209 M N 1.817 121.429 119.600 0.020 0.000 2.180 209 M HA 0.281 4.761 4.480 -0.000 0.000 0.358 209 M C -0.123 176.177 176.300 0.001 0.000 1.233 209 M CA -0.560 54.757 55.300 0.029 0.000 1.114 209 M CB 0.931 33.554 32.600 0.039 0.000 1.594 209 M HN 0.094 nan 8.290 nan 0.000 0.467 210 L N 3.560 124.785 121.223 0.003 0.000 2.369 210 L HA 0.535 4.875 4.340 -0.000 0.000 0.279 210 L C 0.045 176.920 176.870 0.008 0.000 1.108 210 L CA -0.338 54.496 54.840 -0.011 0.000 0.852 210 L CB 0.182 42.213 42.059 -0.046 0.000 1.169 210 L HN 0.850 nan 8.230 nan 0.000 0.452 211 A N 2.914 125.713 122.820 -0.036 0.000 2.549 211 A HA 0.944 5.263 4.320 -0.000 0.000 0.297 211 A C -0.191 177.333 177.584 -0.100 0.000 1.061 211 A CA 0.198 52.179 52.037 -0.093 0.000 0.690 211 A CB 1.978 20.877 19.000 -0.168 0.000 1.287 211 A HN 0.823 nan 8.150 nan 0.000 0.402 212 G N -0.435 108.256 108.800 -0.182 0.000 2.332 212 G HA2 0.477 4.437 3.960 -0.000 0.000 0.265 212 G HA3 0.477 4.437 3.960 -0.000 0.000 0.265 212 G C -1.587 173.113 174.900 -0.334 0.000 1.329 212 G CA -0.584 44.420 45.100 -0.161 0.000 0.949 212 G HN 0.993 nan 8.290 nan 0.000 0.476 213 F N 0.107 120.074 119.950 0.029 0.000 2.532 213 F HA 0.803 5.330 4.527 -0.000 0.000 0.321 213 F C 0.393 176.167 175.800 -0.045 0.000 1.089 213 F CA -0.739 57.284 58.000 0.037 0.000 0.926 213 F CB 2.293 41.311 39.000 0.031 0.000 1.168 213 F HN 0.318 nan 8.300 nan 0.000 0.459 214 I N 1.763 122.370 120.570 0.062 0.000 2.509 214 I HA 0.486 4.655 4.170 -0.000 0.000 0.293 214 I C -0.792 175.123 176.117 -0.338 0.000 1.020 214 I CA -0.452 60.700 61.300 -0.247 0.000 1.088 214 I CB 2.413 40.149 38.000 -0.441 0.000 1.267 214 I HN 0.502 nan 8.210 nan 0.000 0.430 215 T N 4.489 118.780 114.554 -0.438 0.000 2.848 215 T HA 0.467 4.817 4.350 -0.000 0.000 0.285 215 T C -1.075 173.414 174.700 -0.351 0.000 0.995 215 T CA -0.530 61.436 62.100 -0.224 0.000 0.970 215 T CB 1.283 70.117 68.868 -0.057 0.000 0.976 215 T HN 0.354 nan 8.240 nan 0.000 0.441 216 W N 1.008 122.354 121.300 0.076 0.000 2.719 216 W HA 0.690 5.349 4.660 -0.000 0.000 0.352 216 W C -0.382 176.162 176.519 0.043 0.000 1.085 216 W CA -1.306 56.071 57.345 0.053 0.000 1.187 216 W CB 1.889 31.378 29.460 0.049 0.000 1.417 216 W HN 0.650 nan 8.180 nan 0.000 0.557 217 A N 3.749 126.725 122.820 0.259 0.000 2.893 217 A HA 0.485 4.805 4.320 -0.000 0.000 0.333 217 A C -2.278 175.378 177.584 0.120 0.000 1.152 217 A CA -1.043 51.084 52.037 0.150 0.000 0.782 217 A CB -0.063 18.994 19.000 0.095 0.000 1.108 217 A HN 0.220 nan 8.150 nan 0.000 0.469 218 P HA 0.382 nan 4.420 nan 0.000 0.281 218 P C 0.387 177.697 177.300 0.017 0.000 1.249 218 P CA -0.120 63.007 63.100 0.046 0.000 0.810 218 P CB 1.332 33.038 31.700 0.011 0.000 1.008 219 S N 0.339 116.042 115.700 0.005 0.000 2.587 219 S HA 0.044 4.514 4.470 -0.000 0.000 0.260 219 S C 1.483 176.067 174.600 -0.027 0.000 1.353 219 S CA -0.547 57.649 58.200 -0.007 0.000 0.995 219 S CB -0.121 63.075 63.200 -0.006 0.000 0.912 219 S HN 0.216 nan 8.310 nan 0.000 0.568 220 V N 1.884 121.777 119.914 -0.034 0.000 2.287 220 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 220 V C 2.881 178.944 176.094 -0.052 0.000 1.053 220 V CA 2.466 64.734 62.300 -0.054 0.000 1.027 220 V CB -1.489 30.305 31.823 -0.049 0.000 0.646 220 V HN 1.080 nan 8.190 nan 0.000 0.447 221 S N -0.878 114.800 115.700 -0.037 0.000 2.522 221 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 221 S C 1.489 176.067 174.600 -0.036 0.000 0.986 221 S CA 0.936 59.115 58.200 -0.034 0.000 0.929 221 S CB -0.212 62.973 63.200 -0.025 0.000 0.769 221 S HN 0.753 nan 8.310 nan 0.000 0.529 222 E N 0.132 120.310 120.200 -0.037 0.000 2.489 222 E HA 0.248 4.598 4.350 -0.000 0.000 0.204 222 E C 1.490 178.056 176.600 -0.056 0.000 1.006 222 E CA -0.100 56.276 56.400 -0.040 0.000 0.936 222 E CB 0.045 29.728 29.700 -0.028 0.000 1.002 222 E HN 0.411 nan 8.360 nan 0.000 0.488 223 L N 1.343 122.529 121.223 -0.061 0.000 2.042 223 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 223 L C 2.288 179.107 176.870 -0.086 0.000 1.076 223 L CA 1.994 56.789 54.840 -0.076 0.000 0.749 223 L CB -0.296 41.708 42.059 -0.092 0.000 0.893 223 L HN 0.051 nan 8.230 nan 0.000 0.432 224 A N -0.370 122.402 122.820 -0.081 0.000 1.908 224 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 224 A C 2.341 179.884 177.584 -0.067 0.000 1.181 224 A CA 1.687 53.678 52.037 -0.075 0.000 0.627 224 A CB -1.685 17.275 19.000 -0.066 0.000 0.818 224 A HN 0.554 nan 8.150 nan 0.000 0.445 225 G N -0.175 108.585 108.800 -0.068 0.000 2.421 225 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 225 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 225 G C 1.514 176.353 174.900 -0.103 0.000 1.171 225 G CA 1.251 46.309 45.100 -0.070 0.000 0.775 225 G HN 0.531 nan 8.290 nan 0.000 0.543 226 L N 0.118 121.260 121.223 -0.136 0.000 1.989 226 L HA 0.025 4.365 4.340 -0.000 0.000 0.211 226 L C 2.559 179.293 176.870 -0.228 0.000 1.071 226 L CA 1.767 56.469 54.840 -0.229 0.000 0.749 226 L CB -0.657 41.242 42.059 -0.266 0.000 0.890 226 L HN 0.189 nan 8.230 nan 0.000 0.431 227 L N -0.866 120.271 121.223 -0.144 0.000 2.046 227 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 227 L C 2.346 179.187 176.870 -0.049 0.000 1.077 227 L CA 2.433 57.222 54.840 -0.084 0.000 0.747 227 L CB -1.069 40.968 42.059 -0.036 0.000 0.896 227 L HN 0.387 nan 8.230 nan 0.000 0.432 228 T N -0.995 113.533 114.554 -0.043 0.000 2.652 228 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 228 T C 1.971 176.643 174.700 -0.045 0.000 1.039 228 T CA 1.786 63.874 62.100 -0.020 0.000 1.153 228 T CB -0.427 68.428 68.868 -0.020 0.000 0.863 228 T HN 0.411 nan 8.240 nan 0.000 0.428 229 S N 1.316 116.966 115.700 -0.083 0.000 2.370 229 S HA -0.070 4.400 4.470 -0.000 0.000 0.226 229 S C 1.942 176.482 174.600 -0.101 0.000 1.033 229 S CA 0.837 58.981 58.200 -0.094 0.000 1.011 229 S CB -0.555 62.568 63.200 -0.128 0.000 0.852 229 S HN 0.257 nan 8.310 nan 0.000 0.457 230 L N 2.042 123.176 121.223 -0.148 0.000 1.994 230 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 230 L C 2.001 178.845 176.870 -0.044 0.000 1.071 230 L CA 1.678 56.444 54.840 -0.124 0.000 0.745 230 L CB -0.819 41.131 42.059 -0.181 0.000 0.892 230 L HN 0.287 nan 8.230 nan 0.000 0.431 231 L N -0.725 120.480 121.223 -0.030 0.000 2.046 231 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 231 L C 2.303 179.156 176.870 -0.029 0.000 1.077 231 L CA 1.323 56.151 54.840 -0.020 0.000 0.747 231 L CB -0.954 41.109 42.059 0.005 0.000 0.896 231 L HN 0.295 nan 8.230 nan 0.000 0.432 232 D N 0.353 120.737 120.400 -0.026 0.000 2.104 232 D HA -0.170 4.469 4.640 -0.000 0.000 0.194 232 D C 2.239 178.529 176.300 -0.016 0.000 0.994 232 D CA 1.618 55.604 54.000 -0.023 0.000 0.830 232 D CB -0.083 40.703 40.800 -0.022 0.000 0.959 232 D HN 0.306 nan 8.370 nan 0.000 0.452 233 A N 0.662 123.474 122.820 -0.012 0.000 1.858 233 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 233 A C 2.440 180.033 177.584 0.015 0.000 1.190 233 A CA 1.113 53.155 52.037 0.008 0.000 0.617 233 A CB -0.940 18.071 19.000 0.018 0.000 0.827 233 A HN 0.225 nan 8.150 nan 0.000 0.443 234 L N -0.317 120.910 121.223 0.006 0.000 2.079 234 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 234 L C 2.342 179.196 176.870 -0.027 0.000 1.081 234 L CA 1.749 56.587 54.840 -0.004 0.000 0.752 234 L CB -0.726 41.322 42.059 -0.018 0.000 0.896 234 L HN 0.520 nan 8.230 nan 0.000 0.433 235 N N -0.601 118.078 118.700 -0.036 0.000 2.166 235 N HA -0.183 4.556 4.740 -0.000 0.000 0.186 235 N C 1.570 177.062 175.510 -0.029 0.000 1.019 235 N CA 0.754 53.777 53.050 -0.046 0.000 0.856 235 N CB 0.030 38.487 38.487 -0.049 0.000 0.993 235 N HN 0.301 nan 8.380 nan 0.000 0.426 236 E N 0.496 120.691 120.200 -0.009 0.000 2.338 236 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 236 E C 1.069 177.684 176.600 0.025 0.000 1.007 236 E CA 0.847 57.252 56.400 0.008 0.000 0.849 236 E CB 0.014 29.725 29.700 0.019 0.000 0.774 236 E HN 0.558 nan 8.360 nan 0.000 0.506 237 M N -0.761 118.852 119.600 0.021 0.000 2.404 237 M HA 0.269 4.749 4.480 -0.000 0.000 0.271 237 M C 1.685 177.966 176.300 -0.032 0.000 1.128 237 M CA -0.134 55.191 55.300 0.042 0.000 0.982 237 M CB 0.599 33.231 32.600 0.053 0.000 1.445 237 M HN -0.084 nan 8.290 nan 0.000 0.495 238 A N 0.797 123.583 122.820 -0.057 0.000 2.076 238 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 238 A C 1.689 179.191 177.584 -0.135 0.000 1.160 238 A CA 1.536 53.522 52.037 -0.085 0.000 0.653 238 A CB -0.434 18.529 19.000 -0.062 0.000 0.801 238 A HN 0.452 nan 8.150 nan 0.000 0.455 239 D N -1.726 118.534 120.400 -0.233 0.000 2.317 239 D HA -0.054 4.586 4.640 -0.000 0.000 0.211 239 D C 0.846 176.780 176.300 -0.610 0.000 0.966 239 D CA 1.192 54.924 54.000 -0.446 0.000 0.876 239 D CB -0.030 40.405 40.800 -0.607 0.000 0.927 239 D HN 0.782 nan 8.370 nan 0.000 0.519 240 H N -1.296 117.686 119.070 -0.146 0.000 3.457 240 H HA 0.344 4.899 4.556 -0.000 0.000 0.255 240 H C 0.165 175.316 175.328 -0.294 0.000 1.082 240 H CA -0.057 55.849 56.048 -0.237 0.000 1.189 240 H CB 1.560 31.120 29.762 -0.337 0.000 1.511 240 H HN -0.074 nan 8.280 nan 0.000 0.527 241 I N 0.613 121.106 120.570 -0.129 0.000 2.499 241 I HA 0.127 4.297 4.170 -0.000 0.000 0.288 241 I C -1.453 174.667 176.117 0.004 0.000 1.048 241 I CA -1.044 60.218 61.300 -0.063 0.000 1.062 241 I CB 2.266 40.211 38.000 -0.092 0.000 1.238 241 I HN 0.088 nan 8.210 nan 0.000 0.426 242 Y N 8.848 129.130 120.300 -0.030 0.000 2.700 242 Y HA 0.426 4.976 4.550 -0.000 0.000 0.333 242 Y C -2.346 173.529 175.900 -0.043 0.000 1.036 242 Y CA -2.037 56.025 58.100 -0.064 0.000 1.287 242 Y CB 0.842 39.224 38.460 -0.130 0.000 1.132 242 Y HN 0.331 nan 8.280 nan 0.000 0.510 243 P HA 0.310 nan 4.420 nan 0.000 0.281 243 P C -1.175 176.087 177.300 -0.064 0.000 1.264 243 P CA -0.519 62.572 63.100 -0.015 0.000 0.824 243 P CB 1.846 33.521 31.700 -0.043 0.000 1.092 244 S N -0.052 115.616 115.700 -0.052 0.000 2.519 244 S HA 0.459 4.929 4.470 -0.000 0.000 0.309 244 S C -0.411 173.973 174.600 -0.359 0.000 1.100 244 S CA -0.625 57.411 58.200 -0.273 0.000 1.059 244 S CB 1.147 64.149 63.200 -0.331 0.000 1.008 244 S HN 0.197 nan 8.310 nan 0.000 0.478 245 V N 3.900 123.576 119.914 -0.397 0.000 2.384 245 V HA 0.500 4.620 4.120 -0.000 0.000 0.287 245 V C -1.195 174.714 176.094 -0.308 0.000 1.020 245 V CA -0.612 61.576 62.300 -0.186 0.000 0.850 245 V CB 0.679 32.501 31.823 -0.001 0.000 0.987 245 V HN 0.810 nan 8.190 nan 0.000 0.436 246 F N 3.925 123.990 119.950 0.192 0.000 2.411 246 F HA 0.610 5.137 4.527 -0.000 0.000 0.352 246 F C 0.112 176.028 175.800 0.193 0.000 1.123 246 F CA -0.822 57.288 58.000 0.184 0.000 1.044 246 F CB 1.614 40.720 39.000 0.176 0.000 1.135 246 F HN 0.166 nan 8.300 nan 0.000 0.461 247 V N 2.842 122.960 119.914 0.341 0.000 2.459 247 V HA 0.932 5.052 4.120 -0.000 0.000 0.295 247 V C 0.232 176.558 176.094 0.385 0.000 1.029 247 V CA -0.477 61.999 62.300 0.294 0.000 0.874 247 V CB 1.178 33.142 31.823 0.236 0.000 0.985 247 V HN 0.963 nan 8.190 nan 0.000 0.438 248 G N 2.588 111.536 108.800 0.246 0.000 2.645 248 G HA2 0.748 4.708 3.960 -0.000 0.000 0.292 248 G HA3 0.748 4.708 3.960 -0.000 0.000 0.292 248 G C -1.342 173.624 174.900 0.109 0.000 1.415 248 G CA -0.094 45.188 45.100 0.302 0.000 0.785 248 G HN 1.176 nan 8.290 nan 0.000 0.483 249 V N -1.257 118.747 119.914 0.151 0.000 2.876 249 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 249 V C -0.570 175.582 176.094 0.098 0.000 1.085 249 V CA -0.685 61.660 62.300 0.075 0.000 0.945 249 V CB 1.706 33.563 31.823 0.058 0.000 1.017 249 V HN 0.993 nan 8.190 nan 0.000 0.428 250 D N 1.444 121.885 120.400 0.068 0.000 2.511 250 D HA 0.200 4.840 4.640 -0.000 0.000 0.276 250 D C 0.976 177.314 176.300 0.063 0.000 1.220 250 D CA 0.078 54.117 54.000 0.064 0.000 1.077 250 D CB 0.722 41.551 40.800 0.048 0.000 1.126 250 D HN 0.780 nan 8.370 nan 0.000 0.583 251 E N -1.133 119.099 120.200 0.054 0.000 2.265 251 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 251 E C 0.714 177.341 176.600 0.046 0.000 0.996 251 E CA 0.897 57.329 56.400 0.053 0.000 0.832 251 E CB -0.050 29.676 29.700 0.044 0.000 0.756 251 E HN 0.297 nan 8.360 nan 0.000 0.491 252 N N 0.536 119.259 118.700 0.039 0.000 2.322 252 N HA 0.021 4.761 4.740 -0.000 0.000 0.194 252 N C -0.244 175.285 175.510 0.030 0.000 1.126 252 N CA 0.234 53.303 53.050 0.032 0.000 0.845 252 N CB 0.478 38.980 38.487 0.026 0.000 0.976 252 N HN 0.093 nan 8.380 nan 0.000 0.475 253 R N -1.381 119.142 120.500 0.038 0.000 3.936 253 R HA -0.156 4.183 4.340 -0.000 0.000 0.366 253 R C -0.208 176.101 176.300 0.015 0.000 1.158 253 R CA 0.667 56.786 56.100 0.032 0.000 0.969 253 R CB -2.673 27.644 30.300 0.027 0.000 1.504 253 R HN 0.245 nan 8.270 nan 0.000 0.538 254 A N 1.879 124.711 122.820 0.020 0.000 2.320 254 A HA 0.580 4.900 4.320 -0.000 0.000 0.287 254 A C -1.941 175.649 177.584 0.010 0.000 1.181 254 A CA -1.211 50.834 52.037 0.013 0.000 0.831 254 A CB 0.496 19.510 19.000 0.023 0.000 1.102 254 A HN -0.126 nan 8.150 nan 0.000 0.513 255 P HA 0.217 nan 4.420 nan 0.000 0.269 255 P C -0.296 177.023 177.300 0.032 0.000 1.215 255 P CA 0.111 63.194 63.100 -0.027 0.000 0.780 255 P CB 0.878 32.540 31.700 -0.063 0.000 0.898 256 S N 0.125 115.860 115.700 0.058 0.000 2.540 256 S HA 0.699 5.169 4.470 -0.000 0.000 0.275 256 S C -1.109 173.590 174.600 0.166 0.000 1.123 256 S CA -0.761 57.510 58.200 0.119 0.000 0.907 256 S CB 1.088 64.355 63.200 0.112 0.000 1.081 256 S HN 0.114 nan 8.310 nan 0.000 0.476 257 V N 2.030 122.091 119.914 0.245 0.000 2.577 257 V HA 0.696 4.816 4.120 -0.000 0.000 0.303 257 V C -0.536 175.815 176.094 0.428 0.000 1.042 257 V CA -0.319 62.171 62.300 0.317 0.000 0.872 257 V CB 1.907 33.904 31.823 0.289 0.000 0.998 257 V HN 1.074 nan 8.190 nan 0.000 0.423 258 T N 3.720 118.537 114.554 0.438 0.000 2.861 258 T HA 0.579 4.929 4.350 -0.000 0.000 0.287 258 T C -0.997 174.031 174.700 0.547 0.000 1.003 258 T CA -0.433 61.940 62.100 0.455 0.000 0.977 258 T CB 2.057 71.165 68.868 0.401 0.000 0.996 258 T HN 0.505 nan 8.240 nan 0.000 0.448 259 V N 2.784 122.976 119.914 0.464 0.000 2.495 259 V HA 0.614 4.734 4.120 -0.000 0.000 0.298 259 V C -0.345 175.932 176.094 0.306 0.000 1.031 259 V CA -0.755 61.769 62.300 0.372 0.000 0.871 259 V CB 1.028 33.051 31.823 0.335 0.000 0.988 259 V HN 1.136 nan 8.190 nan 0.000 0.432 260 C N 8.152 127.607 119.300 0.258 0.000 2.285 260 C HA 0.801 5.261 4.460 -0.000 0.000 0.335 260 C C -0.153 174.818 174.990 -0.031 0.000 1.267 260 C CA -0.082 58.854 59.018 -0.137 0.000 1.762 260 C CB -0.088 27.662 27.740 0.017 0.000 2.365 260 C HN 1.129 nan 8.230 nan 0.000 0.527 261 V N 5.390 125.244 119.914 -0.099 0.000 2.680 261 V HA 0.972 5.092 4.120 -0.000 0.000 0.309 261 V C -0.009 176.081 176.094 -0.006 0.000 1.052 261 V CA 0.118 62.436 62.300 0.030 0.000 0.908 261 V CB 1.782 33.646 31.823 0.069 0.000 1.001 261 V HN 1.183 nan 8.190 nan 0.000 0.431 262 G N 3.232 112.087 108.800 0.091 0.000 3.164 262 G HA2 0.321 4.281 3.960 -0.000 0.000 0.312 262 G HA3 0.321 4.281 3.960 -0.000 0.000 0.312 262 G C -0.705 174.251 174.900 0.093 0.000 1.530 262 G CA -0.421 44.660 45.100 -0.030 0.000 1.079 262 G HN 0.979 nan 8.290 nan 0.000 0.527 263 H N 3.079 122.161 119.070 0.020 0.000 2.767 263 H HA 0.177 4.733 4.556 -0.000 0.000 0.316 263 H C 0.768 176.123 175.328 0.046 0.000 1.059 263 H CA 0.065 56.140 56.048 0.045 0.000 1.461 263 H CB 1.498 31.265 29.762 0.009 0.000 1.475 263 H HN 0.339 nan 8.280 nan 0.000 0.531 264 L N 3.978 125.299 121.223 0.165 0.000 2.607 264 L HA 0.205 4.545 4.340 -0.000 0.000 0.228 264 L C 1.513 178.514 176.870 0.218 0.000 1.123 264 L CA 0.038 54.979 54.840 0.169 0.000 0.890 264 L CB 0.210 42.323 42.059 0.090 0.000 1.103 264 L HN 0.516 nan 8.230 nan 0.000 0.468 265 G N -0.222 108.790 108.800 0.354 0.000 2.562 265 G HA2 0.422 4.381 3.960 -0.000 0.000 0.275 265 G HA3 0.422 4.381 3.960 -0.000 0.000 0.275 265 G C 0.300 175.162 174.900 -0.063 0.000 1.196 265 G CA -0.044 45.017 45.100 -0.065 0.000 0.908 265 G HN 0.139 nan 8.290 nan 0.000 0.524 266 G N -1.237 107.492 108.800 -0.118 0.000 2.690 266 G HA2 0.209 4.168 3.960 -0.000 0.000 0.239 266 G HA3 0.209 4.168 3.960 -0.000 0.000 0.239 266 G C 1.195 176.011 174.900 -0.140 0.000 1.233 266 G CA -0.575 44.471 45.100 -0.090 0.000 0.847 266 G HN 0.519 nan 8.290 nan 0.000 0.588 267 L N 0.501 121.661 121.223 -0.105 0.000 2.083 267 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 267 L C 2.873 179.663 176.870 -0.132 0.000 1.083 267 L CA 1.620 56.387 54.840 -0.122 0.000 0.752 267 L CB -0.441 41.573 42.059 -0.076 0.000 0.899 267 L HN 0.800 nan 8.230 nan 0.000 0.433 268 D N 0.857 121.197 120.400 -0.100 0.000 2.103 268 D HA -0.272 4.368 4.640 -0.000 0.000 0.190 268 D C 2.029 178.264 176.300 -0.109 0.000 0.997 268 D CA 1.820 55.770 54.000 -0.083 0.000 0.833 268 D CB -0.615 40.151 40.800 -0.056 0.000 0.961 268 D HN 0.373 nan 8.370 nan 0.000 0.447 269 I N 1.181 121.667 120.570 -0.140 0.000 2.202 269 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 269 I C 2.891 178.853 176.117 -0.258 0.000 1.091 269 I CA 1.136 62.345 61.300 -0.151 0.000 1.368 269 I CB -0.389 37.507 38.000 -0.173 0.000 1.058 269 I HN 0.071 nan 8.210 nan 0.000 0.410 270 A N 0.507 123.023 122.820 -0.507 0.000 1.892 270 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 270 A C 2.235 179.587 177.584 -0.387 0.000 1.188 270 A CA 1.719 53.212 52.037 -0.906 0.000 0.631 270 A CB -0.528 17.975 19.000 -0.829 0.000 0.822 270 A HN 0.372 nan 8.150 nan 0.000 0.447 271 E N -0.598 119.468 120.200 -0.224 0.000 2.058 271 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 271 E C 2.199 178.758 176.600 -0.068 0.000 0.997 271 E CA 1.334 57.665 56.400 -0.115 0.000 0.801 271 E CB -0.387 29.263 29.700 -0.082 0.000 0.746 271 E HN 0.690 nan 8.360 nan 0.000 0.450 272 R N 0.804 121.266 120.500 -0.062 0.000 2.091 272 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 272 R C 1.738 178.043 176.300 0.008 0.000 1.136 272 R CA 1.841 57.929 56.100 -0.020 0.000 0.959 272 R CB 0.013 30.304 30.300 -0.014 0.000 0.856 272 R HN 0.031 nan 8.270 nan 0.000 0.437 273 D N 0.394 120.801 120.400 0.012 0.000 2.097 273 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 273 D C 1.897 178.248 176.300 0.085 0.000 0.989 273 D CA 1.017 55.069 54.000 0.085 0.000 0.827 273 D CB -0.137 40.791 40.800 0.214 0.000 0.966 273 D HN 0.194 nan 8.370 nan 0.000 0.456 274 I N 1.284 121.880 120.570 0.043 0.000 2.226 274 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 274 I C 2.448 178.602 176.117 0.062 0.000 1.100 274 I CA 0.678 62.011 61.300 0.055 0.000 1.374 274 I CB -1.365 36.641 38.000 0.010 0.000 1.057 274 I HN -0.117 nan 8.210 nan 0.000 0.413 275 A N 0.474 123.317 122.820 0.039 0.000 1.902 275 A HA -0.235 4.084 4.320 -0.000 0.000 0.217 275 A C 2.561 180.186 177.584 0.069 0.000 1.181 275 A CA 1.621 53.686 52.037 0.046 0.000 0.623 275 A CB -0.660 18.355 19.000 0.025 0.000 0.818 275 A HN 0.309 nan 8.150 nan 0.000 0.443 276 R N -0.459 120.082 120.500 0.068 0.000 2.083 276 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 276 R C 2.096 178.462 176.300 0.111 0.000 1.137 276 R CA 1.683 57.827 56.100 0.074 0.000 0.951 276 R CB -0.449 29.889 30.300 0.064 0.000 0.851 276 R HN 0.571 nan 8.270 nan 0.000 0.434 277 L N -0.113 121.199 121.223 0.149 0.000 2.017 277 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 277 L C 2.666 179.751 176.870 0.357 0.000 1.073 277 L CA 1.546 56.537 54.840 0.252 0.000 0.745 277 L CB -0.441 41.779 42.059 0.267 0.000 0.894 277 L HN 0.203 nan 8.230 nan 0.000 0.432 278 R N -0.100 120.541 120.500 0.235 0.000 2.120 278 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 278 R C 2.230 178.661 176.300 0.218 0.000 1.123 278 R CA 1.095 57.322 56.100 0.212 0.000 0.975 278 R CB -0.571 29.792 30.300 0.104 0.000 0.866 278 R HN 0.426 nan 8.270 nan 0.000 0.446 279 G N 0.479 109.375 108.800 0.160 0.000 2.679 279 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 279 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 279 G C 1.239 176.206 174.900 0.113 0.000 1.137 279 G CA 0.088 45.259 45.100 0.117 0.000 0.787 279 G HN 0.168 nan 8.290 nan 0.000 0.534 280 L N -0.110 121.199 121.223 0.144 0.000 2.376 280 L HA 0.288 4.628 4.340 -0.000 0.000 0.219 280 L C 1.326 178.190 176.870 -0.010 0.000 1.133 280 L CA 0.571 55.406 54.840 -0.007 0.000 0.816 280 L CB -0.332 41.601 42.059 -0.210 0.000 0.933 280 L HN 0.311 nan 8.230 nan 0.000 0.449 281 G N -0.481 108.457 108.800 0.231 0.000 2.358 281 G HA2 0.118 4.078 3.960 -0.000 0.000 0.303 281 G HA3 0.118 4.078 3.960 -0.000 0.000 0.303 281 G C -1.406 173.743 174.900 0.415 0.000 1.537 281 G CA -0.985 44.269 45.100 0.256 0.000 0.928 281 G HN -0.051 nan 8.290 nan 0.000 0.656 282 R N 0.098 120.748 120.500 0.251 0.000 2.522 282 R HA 0.452 4.792 4.340 -0.000 0.000 0.284 282 R C 0.931 177.336 176.300 0.175 0.000 1.032 282 R CA 0.733 56.937 56.100 0.172 0.000 1.049 282 R CB 0.219 30.581 30.300 0.103 0.000 0.956 282 R HN 0.776 nan 8.270 nan 0.000 0.422 283 T N 0.056 114.611 114.554 0.001 0.000 2.928 283 T HA 0.214 4.563 4.350 -0.000 0.000 0.284 283 T C 1.209 175.842 174.700 -0.111 0.000 1.008 283 T CA -1.125 60.845 62.100 -0.217 0.000 1.057 283 T CB 1.830 70.439 68.868 -0.432 0.000 1.018 283 T HN 0.310 nan 8.240 nan 0.000 0.493 284 V N 1.471 121.315 119.914 -0.118 0.000 2.453 284 V HA 0.112 4.232 4.120 -0.000 0.000 0.247 284 V C 1.349 177.395 176.094 -0.079 0.000 1.048 284 V CA 1.619 63.883 62.300 -0.060 0.000 1.049 284 V CB -0.838 30.969 31.823 -0.027 0.000 0.672 284 V HN 1.181 nan 8.190 nan 0.000 0.457 285 S N -1.374 114.247 115.700 -0.131 0.000 2.565 285 S HA 0.592 5.062 4.470 -0.000 0.000 0.269 285 S C -1.737 172.780 174.600 -0.139 0.000 1.153 285 S CA -0.755 57.383 58.200 -0.103 0.000 0.835 285 S CB 3.057 66.217 63.200 -0.067 0.000 1.122 285 S HN 0.205 nan 8.310 nan 0.000 0.462 286 D N 0.584 120.935 120.400 -0.083 0.000 2.452 286 D HA 0.303 4.943 4.640 -0.000 0.000 0.226 286 D C -0.260 176.031 176.300 -0.015 0.000 1.366 286 D CA -0.182 53.774 54.000 -0.073 0.000 0.986 286 D CB 1.747 42.489 40.800 -0.097 0.000 1.420 286 D HN 0.625 nan 8.370 nan 0.000 0.583 287 S N 2.915 118.635 115.700 0.034 0.000 2.601 287 S HA 0.225 4.695 4.470 -0.000 0.000 0.244 287 S C 0.938 175.564 174.600 0.044 0.000 1.001 287 S CA -0.548 57.685 58.200 0.056 0.000 0.984 287 S CB -0.127 63.144 63.200 0.118 0.000 0.842 287 S HN 0.390 nan 8.310 nan 0.000 0.474 288 I N 3.190 123.770 120.570 0.016 0.000 2.668 288 I HA 0.437 4.607 4.170 -0.000 0.000 0.285 288 I C 0.702 176.817 176.117 -0.004 0.000 1.168 288 I CA 0.114 61.414 61.300 -0.000 0.000 1.424 288 I CB -0.752 37.245 38.000 -0.004 0.000 1.377 288 I HN 0.474 nan 8.210 nan 0.000 0.560 289 A N 6.320 129.133 122.820 -0.011 0.000 2.609 289 A HA 0.644 4.964 4.320 -0.000 0.000 0.291 289 A C -0.911 176.661 177.584 -0.021 0.000 1.096 289 A CA -0.620 51.409 52.037 -0.013 0.000 0.684 289 A CB 1.217 20.212 19.000 -0.007 0.000 1.282 289 A HN 0.286 nan 8.150 nan 0.000 0.412 290 V N 1.713 121.615 119.914 -0.021 0.000 2.479 290 V HA 0.370 4.490 4.120 -0.000 0.000 0.281 290 V C 0.405 176.487 176.094 -0.020 0.000 1.031 290 V CA 0.466 62.754 62.300 -0.021 0.000 1.038 290 V CB -0.154 31.658 31.823 -0.020 0.000 0.981 290 V HN 0.820 nan 8.190 nan 0.000 0.478 291 R N 2.792 123.278 120.500 -0.023 0.000 2.808 291 R HA 0.584 4.924 4.340 -0.000 0.000 0.272 291 R C -0.431 175.861 176.300 -0.012 0.000 0.995 291 R CA -0.652 55.431 56.100 -0.028 0.000 0.917 291 R CB 2.166 32.433 30.300 -0.055 0.000 1.217 291 R HN 0.745 nan 8.270 nan 0.000 0.471 292 S N 0.127 115.823 115.700 -0.006 0.000 2.617 292 S HA 0.047 4.517 4.470 -0.000 0.000 0.269 292 S C 0.849 175.469 174.600 0.032 0.000 1.292 292 S CA -0.614 57.603 58.200 0.029 0.000 1.010 292 S CB 0.665 63.882 63.200 0.029 0.000 0.944 292 S HN 0.736 nan 8.310 nan 0.000 0.536 293 Y N 2.094 122.373 120.300 -0.036 0.000 2.128 293 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 293 Y C 2.149 178.024 175.900 -0.043 0.000 1.154 293 Y CA 2.610 60.682 58.100 -0.047 0.000 1.149 293 Y CB -0.659 37.808 38.460 0.012 0.000 0.976 293 Y HN 0.876 nan 8.280 nan 0.000 0.505 294 D N -0.194 120.151 120.400 -0.091 0.000 2.178 294 D HA -0.260 4.380 4.640 -0.000 0.000 0.201 294 D C 1.851 178.048 176.300 -0.172 0.000 0.980 294 D CA 1.624 55.528 54.000 -0.160 0.000 0.842 294 D CB -0.722 40.062 40.800 -0.026 0.000 0.948 294 D HN 0.675 nan 8.370 nan 0.000 0.472 295 E N 0.736 120.860 120.200 -0.126 0.000 2.107 295 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 295 E C 2.270 178.780 176.600 -0.150 0.000 0.982 295 E CA 0.527 56.864 56.400 -0.105 0.000 0.809 295 E CB 0.239 29.900 29.700 -0.065 0.000 0.756 295 E HN 0.107 nan 8.360 nan 0.000 0.459 296 V N 0.708 120.474 119.914 -0.247 0.000 2.343 296 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 296 V C 2.436 178.337 176.094 -0.321 0.000 1.051 296 V CA 1.408 63.484 62.300 -0.373 0.000 1.036 296 V CB -0.320 31.127 31.823 -0.626 0.000 0.654 296 V HN 0.200 nan 8.190 nan 0.000 0.451 297 V N 0.202 119.909 119.914 -0.345 0.000 2.358 297 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 297 V C 2.696 178.730 176.094 -0.099 0.000 1.047 297 V CA 1.936 64.145 62.300 -0.151 0.000 1.035 297 V CB -1.035 30.631 31.823 -0.261 0.000 0.658 297 V HN 0.558 nan 8.190 nan 0.000 0.452 298 A N -0.216 122.537 122.820 -0.112 0.000 1.902 298 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 298 A C 2.159 179.727 177.584 -0.026 0.000 1.181 298 A CA 2.021 54.018 52.037 -0.067 0.000 0.623 298 A CB -0.594 18.375 19.000 -0.052 0.000 0.818 298 A HN 0.449 nan 8.150 nan 0.000 0.443 299 L N 0.430 121.650 121.223 -0.006 0.000 2.042 299 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 299 L C 1.925 178.874 176.870 0.132 0.000 1.076 299 L CA 2.481 57.365 54.840 0.072 0.000 0.749 299 L CB -0.858 41.262 42.059 0.101 0.000 0.893 299 L HN 0.439 nan 8.230 nan 0.000 0.432 300 N N -0.636 118.152 118.700 0.147 0.000 2.149 300 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 300 N C 1.777 177.277 175.510 -0.017 0.000 1.019 300 N CA 1.430 54.597 53.050 0.196 0.000 0.857 300 N CB -0.233 38.408 38.487 0.256 0.000 0.997 300 N HN 0.532 nan 8.380 nan 0.000 0.426 301 A N 0.511 123.224 122.820 -0.178 0.000 1.898 301 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 301 A C 1.981 179.552 177.584 -0.021 0.000 1.181 301 A CA 1.322 53.205 52.037 -0.257 0.000 0.620 301 A CB -0.484 18.363 19.000 -0.255 0.000 0.819 301 A HN 0.379 nan 8.150 nan 0.000 0.442 302 E N -0.229 120.016 120.200 0.075 0.000 2.110 302 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 302 E C 1.887 178.566 176.600 0.132 0.000 0.988 302 E CA 1.627 58.136 56.400 0.181 0.000 0.804 302 E CB -0.270 29.492 29.700 0.103 0.000 0.745 302 E HN 0.650 nan 8.360 nan 0.000 0.458 303 V N -2.044 117.859 119.914 -0.018 0.000 3.541 303 V HA 0.207 4.327 4.120 -0.000 0.000 0.267 303 V C 1.001 176.992 176.094 -0.171 0.000 1.213 303 V CA 0.423 62.629 62.300 -0.157 0.000 1.149 303 V CB -0.346 31.204 31.823 -0.455 0.000 0.822 303 V HN 0.074 nan 8.190 nan 0.000 0.462 304 G N 0.165 108.872 108.800 -0.154 0.000 2.563 304 G HA2 0.390 4.350 3.960 -0.000 0.000 0.283 304 G HA3 0.390 4.350 3.960 -0.000 0.000 0.283 304 G C -0.249 174.463 174.900 -0.313 0.000 1.309 304 G CA 0.183 45.174 45.100 -0.181 0.000 1.022 304 G HN 0.363 nan 8.290 nan 0.000 0.501 305 S N -1.736 113.830 115.700 -0.223 0.000 2.580 305 S HA 0.377 4.847 4.470 -0.000 0.000 0.274 305 S C -0.157 174.214 174.600 -0.382 0.000 1.329 305 S CA -0.399 57.703 58.200 -0.164 0.000 1.036 305 S CB 0.190 63.382 63.200 -0.012 0.000 0.919 305 S HN 0.335 nan 8.310 nan 0.000 0.515 306 F N 1.018 121.016 119.950 0.080 0.000 2.735 306 F HA 0.375 4.902 4.527 -0.000 0.000 0.308 306 F C 0.527 176.354 175.800 0.046 0.000 1.112 306 F CA -0.534 57.512 58.000 0.078 0.000 1.235 306 F CB 0.379 39.411 39.000 0.054 0.000 1.027 306 F HN 0.510 nan 8.300 nan 0.000 0.528 307 E N 1.398 121.672 120.200 0.125 0.000 2.338 307 E HA 0.166 4.516 4.350 -0.000 0.000 0.272 307 E C -0.848 175.747 176.600 -0.008 0.000 1.029 307 E CA -0.106 56.321 56.400 0.045 0.000 0.872 307 E CB 0.676 30.375 29.700 -0.002 0.000 1.015 307 E HN 0.118 nan 8.360 nan 0.000 0.417 308 D N 2.224 122.603 120.400 -0.034 0.000 2.198 308 D HA 0.490 5.130 4.640 -0.000 0.000 0.247 308 D C 0.340 176.537 176.300 -0.171 0.000 1.010 308 D CA 0.414 54.365 54.000 -0.082 0.000 0.880 308 D CB 1.141 41.925 40.800 -0.027 0.000 1.209 308 D HN 0.604 nan 8.370 nan 0.000 0.451 309 G N 2.671 111.315 108.800 -0.259 0.000 2.179 309 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.257 309 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.257 309 G C 0.394 175.056 174.900 -0.397 0.000 1.010 309 G CA 0.292 45.208 45.100 -0.306 0.000 0.736 309 G HN 0.392 nan 8.290 nan 0.000 0.513 310 M N 0.616 119.928 119.600 -0.479 0.000 2.245 310 M HA 0.285 4.765 4.480 -0.000 0.000 0.330 310 M C 0.899 176.737 176.300 -0.770 0.000 1.098 310 M CA 0.522 55.493 55.300 -0.549 0.000 1.172 310 M CB 0.716 33.034 32.600 -0.469 0.000 1.467 310 M HN 0.151 nan 8.290 nan 0.000 0.454 311 S N 2.434 117.549 115.700 -0.976 0.000 2.578 311 S HA 0.514 4.984 4.470 -0.000 0.000 0.283 311 S C -0.162 173.643 174.600 -1.326 0.000 1.195 311 S CA -0.929 56.495 58.200 -1.293 0.000 1.050 311 S CB 0.938 63.077 63.200 -1.769 0.000 1.012 311 S HN 0.557 nan 8.310 nan 0.000 0.511 312 N N 1.355 119.478 118.700 -0.961 0.000 2.249 312 N HA 0.471 5.211 4.740 -0.000 0.000 0.296 312 N C -1.788 173.592 175.510 -0.218 0.000 1.051 312 N CA -0.623 52.139 53.050 -0.480 0.000 0.815 312 N CB 2.321 40.510 38.487 -0.498 0.000 1.487 312 N HN 0.342 nan 8.380 nan 0.000 0.475 313 L N 2.015 123.359 121.223 0.202 0.000 2.376 313 L HA 0.632 4.972 4.340 -0.000 0.000 0.275 313 L C -1.859 175.237 176.870 0.376 0.000 0.987 313 L CA -0.514 54.466 54.840 0.235 0.000 0.828 313 L CB 0.845 43.114 42.059 0.351 0.000 1.249 313 L HN 0.466 nan 8.230 nan 0.000 0.409 314 W N 6.928 128.324 121.300 0.159 0.000 2.600 314 W HA 0.590 5.250 4.660 -0.000 0.000 0.325 314 W C -0.870 175.720 176.519 0.117 0.000 1.034 314 W CA -1.182 56.245 57.345 0.136 0.000 1.226 314 W CB 1.337 30.877 29.460 0.134 0.000 1.379 314 W HN 0.323 nan 8.180 nan 0.000 0.466 315 I N 2.531 123.302 120.570 0.335 0.000 2.420 315 I HA 0.138 4.307 4.170 -0.000 0.000 0.282 315 I C -0.600 175.670 176.117 0.255 0.000 1.019 315 I CA -0.422 61.049 61.300 0.285 0.000 1.130 315 I CB 1.517 39.667 38.000 0.250 0.000 1.262 315 I HN 0.220 nan 8.210 nan 0.000 0.454 316 D N 6.304 126.871 120.400 0.278 0.000 2.303 316 D HA 0.506 5.146 4.640 -0.000 0.000 0.236 316 D C -0.206 176.214 176.300 0.201 0.000 1.068 316 D CA -0.286 53.827 54.000 0.189 0.000 0.830 316 D CB 1.160 42.042 40.800 0.136 0.000 1.109 316 D HN 0.402 nan 8.370 nan 0.000 0.496 317 R N 2.145 122.693 120.500 0.080 0.000 3.151 317 R HA 0.598 4.938 4.340 -0.000 0.000 0.231 317 R C -0.359 175.916 176.300 -0.042 0.000 1.511 317 R CA -0.947 55.141 56.100 -0.020 0.000 1.047 317 R CB 1.176 31.422 30.300 -0.090 0.000 1.565 317 R HN 0.426 nan 8.270 nan 0.000 0.513 318 E N 0.297 120.445 120.200 -0.087 0.000 2.299 318 E HA 0.363 4.712 4.350 -0.000 0.000 0.265 318 E C -0.666 175.834 176.600 -0.168 0.000 0.911 318 E CA -0.762 55.564 56.400 -0.122 0.000 0.789 318 E CB 2.095 31.725 29.700 -0.117 0.000 1.246 318 E HN 0.285 nan 8.360 nan 0.000 0.427 319 I N 1.733 122.140 120.570 -0.271 0.000 2.598 319 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 319 I C 0.785 176.779 176.117 -0.205 0.000 1.140 319 I CA 0.525 61.598 61.300 -0.378 0.000 1.420 319 I CB 0.625 38.260 38.000 -0.609 0.000 1.387 319 I HN 0.627 nan 8.210 nan 0.000 0.553 320 A N 7.818 130.562 122.820 -0.126 0.000 2.431 320 A HA 0.439 4.759 4.320 -0.000 0.000 0.239 320 A C 0.533 178.093 177.584 -0.040 0.000 1.230 320 A CA 0.033 52.027 52.037 -0.071 0.000 0.928 320 A CB 0.288 19.261 19.000 -0.046 0.000 1.006 320 A HN 0.701 nan 8.150 nan 0.000 0.520 321 M N -0.701 118.881 119.600 -0.030 0.000 2.667 321 M HA 0.407 4.887 4.480 -0.000 0.000 0.286 321 M C -2.857 173.440 176.300 -0.005 0.000 1.270 321 M CA -2.065 53.236 55.300 0.003 0.000 0.826 321 M CB 0.767 33.399 32.600 0.053 0.000 1.743 321 M HN -0.241 nan 8.290 nan 0.000 0.460 322 P HA 0.046 nan 4.420 nan 0.000 0.266 322 P C 0.084 177.414 177.300 0.049 0.000 1.186 322 P CA 0.162 63.267 63.100 0.008 0.000 0.767 322 P CB 0.381 32.087 31.700 0.010 0.000 0.820 323 N N 1.603 120.324 118.700 0.036 0.000 2.137 323 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 323 N C 1.669 177.255 175.510 0.127 0.000 1.017 323 N CA 1.804 54.910 53.050 0.094 0.000 0.859 323 N CB -0.815 37.696 38.487 0.040 0.000 1.002 323 N HN 0.462 nan 8.380 nan 0.000 0.428 324 A N 1.157 124.014 122.820 0.062 0.000 1.877 324 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 324 A C 2.342 179.952 177.584 0.042 0.000 1.186 324 A CA 1.653 53.712 52.037 0.037 0.000 0.620 324 A CB -0.436 18.572 19.000 0.013 0.000 0.822 324 A HN 0.169 nan 8.150 nan 0.000 0.443 325 R N -0.973 119.563 120.500 0.059 0.000 2.066 325 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 325 R C 1.788 178.135 176.300 0.078 0.000 1.131 325 R CA 1.838 57.971 56.100 0.054 0.000 0.955 325 R CB -1.133 29.199 30.300 0.054 0.000 0.851 325 R HN 0.458 nan 8.270 nan 0.000 0.432 326 F N 0.803 120.744 119.950 -0.015 0.000 2.063 326 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 326 F C 2.011 177.809 175.800 -0.004 0.000 1.109 326 F CA 2.225 60.219 58.000 -0.010 0.000 1.212 326 F CB -0.920 38.071 39.000 -0.016 0.000 0.973 326 F HN 0.148 nan 8.300 nan 0.000 0.480 327 A N -0.433 122.354 122.820 -0.055 0.000 1.972 327 A HA -0.235 4.084 4.320 -0.000 0.000 0.219 327 A C 2.253 179.744 177.584 -0.156 0.000 1.169 327 A CA 1.715 53.663 52.037 -0.148 0.000 0.635 327 A CB -1.022 17.966 19.000 -0.020 0.000 0.810 327 A HN 0.642 nan 8.150 nan 0.000 0.446 328 E N -0.015 120.128 120.200 -0.096 0.000 2.072 328 E HA -0.113 4.236 4.350 -0.000 0.000 0.191 328 E C 2.099 178.639 176.600 -0.099 0.000 0.985 328 E CA 0.985 57.337 56.400 -0.079 0.000 0.801 328 E CB -0.242 29.433 29.700 -0.041 0.000 0.750 328 E HN 0.529 nan 8.360 nan 0.000 0.452 329 A N 1.349 124.093 122.820 -0.126 0.000 1.898 329 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 329 A C 2.081 179.573 177.584 -0.154 0.000 1.181 329 A CA 1.077 53.041 52.037 -0.122 0.000 0.620 329 A CB -0.430 18.505 19.000 -0.110 0.000 0.819 329 A HN 0.287 nan 8.150 nan 0.000 0.442 330 I N 0.307 120.709 120.570 -0.281 0.000 2.069 330 I HA -0.286 3.884 4.170 -0.000 0.000 0.237 330 I C 2.952 178.981 176.117 -0.147 0.000 1.053 330 I CA 1.685 62.858 61.300 -0.213 0.000 1.311 330 I CB -1.746 36.067 38.000 -0.312 0.000 1.030 330 I HN 0.356 nan 8.210 nan 0.000 0.398 331 A N 0.499 123.223 122.820 -0.160 0.000 2.024 331 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 331 A C 2.275 179.800 177.584 -0.098 0.000 1.164 331 A CA 1.789 53.741 52.037 -0.142 0.000 0.643 331 A CB -1.212 17.719 19.000 -0.114 0.000 0.806 331 A HN 0.517 nan 8.150 nan 0.000 0.451 332 G N -1.693 107.066 108.800 -0.068 0.000 3.042 332 G HA2 0.077 4.037 3.960 -0.000 0.000 0.212 332 G HA3 0.077 4.037 3.960 -0.000 0.000 0.212 332 G C 0.637 175.533 174.900 -0.005 0.000 1.166 332 G CA 0.052 45.130 45.100 -0.036 0.000 0.767 332 G HN 0.468 nan 8.290 nan 0.000 0.546 333 N N 0.308 119.019 118.700 0.019 0.000 2.351 333 N HA 0.195 4.935 4.740 -0.000 0.000 0.254 333 N C 1.452 177.093 175.510 0.218 0.000 1.241 333 N CA -0.156 52.957 53.050 0.104 0.000 0.883 333 N CB 0.799 39.359 38.487 0.121 0.000 1.202 333 N HN 0.196 nan 8.380 nan 0.000 0.512 334 L N 0.768 122.025 121.223 0.057 0.000 2.275 334 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 334 L C 2.060 179.031 176.870 0.169 0.000 1.119 334 L CA 1.015 55.838 54.840 -0.027 0.000 0.790 334 L CB -0.215 41.723 42.059 -0.202 0.000 0.919 334 L HN 0.156 nan 8.230 nan 0.000 0.443 335 D N 0.372 120.849 120.400 0.129 0.000 2.351 335 D HA -0.219 4.421 4.640 -0.000 0.000 0.216 335 D C 1.473 177.860 176.300 0.146 0.000 0.968 335 D CA 1.037 55.103 54.000 0.111 0.000 0.899 335 D CB -0.042 40.794 40.800 0.060 0.000 0.907 335 D HN 0.281 nan 8.370 nan 0.000 0.514 336 K N -0.925 119.606 120.400 0.219 0.000 2.374 336 K HA 0.185 4.505 4.320 -0.000 0.000 0.196 336 K C -0.025 176.646 176.600 0.118 0.000 1.023 336 K CA -0.186 56.181 56.287 0.133 0.000 1.103 336 K CB 0.312 32.850 32.500 0.064 0.000 0.848 336 K HN 0.093 nan 8.250 nan 0.000 0.528 337 F N 0.162 120.139 119.950 0.046 0.000 2.397 337 F HA 0.446 4.973 4.527 -0.000 0.000 0.331 337 F C 0.060 175.908 175.800 0.079 0.000 1.090 337 F CA -1.087 56.954 58.000 0.069 0.000 1.065 337 F CB 1.505 40.543 39.000 0.063 0.000 1.184 337 F HN -0.346 nan 8.300 nan 0.000 0.499 338 V N 1.521 121.599 119.914 0.274 0.000 3.077 338 V HA 0.598 4.718 4.120 -0.000 0.000 0.299 338 V C -1.513 174.699 176.094 0.197 0.000 1.276 338 V CA -0.406 62.026 62.300 0.220 0.000 0.993 338 V CB 2.486 34.444 31.823 0.225 0.000 1.076 338 V HN 0.722 nan 8.190 nan 0.000 0.434 339 S N 4.655 120.449 115.700 0.156 0.000 2.721 339 S HA 0.543 5.013 4.470 -0.000 0.000 0.264 339 S C -0.979 173.675 174.600 0.090 0.000 1.161 339 S CA -0.506 57.760 58.200 0.110 0.000 1.113 339 S CB 0.849 64.110 63.200 0.103 0.000 1.079 339 S HN 0.858 nan 8.310 nan 0.000 0.479 340 E N 5.492 125.737 120.200 0.074 0.000 2.437 340 E HA 0.312 4.662 4.350 -0.000 0.000 0.238 340 E C -2.374 174.242 176.600 0.027 0.000 0.969 340 E CA -2.086 54.359 56.400 0.075 0.000 0.759 340 E CB 1.413 31.201 29.700 0.146 0.000 1.283 340 E HN 0.336 nan 8.360 nan 0.000 0.416 341 P HA -0.302 nan 4.420 nan 0.000 0.205 341 P C 1.425 178.734 177.300 0.016 0.000 1.181 341 P CA 1.797 64.903 63.100 0.011 0.000 0.933 341 P CB 0.050 31.761 31.700 0.019 0.000 0.775 342 A N -0.407 122.430 122.820 0.028 0.000 2.084 342 A HA -0.153 4.167 4.320 -0.000 0.000 0.221 342 A C 2.284 179.897 177.584 0.048 0.000 1.161 342 A CA 2.246 54.303 52.037 0.033 0.000 0.653 342 A CB -1.456 17.564 19.000 0.033 0.000 0.802 342 A HN 0.317 nan 8.150 nan 0.000 0.457 343 S N -1.991 113.750 115.700 0.068 0.000 2.524 343 S HA 0.386 4.856 4.470 -0.000 0.000 0.216 343 S C 1.170 175.851 174.600 0.136 0.000 0.987 343 S CA 0.641 58.911 58.200 0.116 0.000 0.909 343 S CB 0.257 63.554 63.200 0.163 0.000 0.781 343 S HN 1.738 nan 8.310 nan 0.000 0.521 344 G N 0.827 109.652 108.800 0.041 0.000 2.255 344 G HA2 0.227 4.187 3.960 -0.000 0.000 0.239 344 G HA3 0.227 4.187 3.960 -0.000 0.000 0.239 344 G C 0.076 174.863 174.900 -0.188 0.000 1.083 344 G CA -0.245 44.850 45.100 -0.008 0.000 0.826 344 G HN 0.984 nan 8.290 nan 0.000 0.493 345 G N -1.677 106.847 108.800 -0.461 0.000 2.377 345 G HA2 0.855 4.815 3.960 -0.000 0.000 0.297 345 G HA3 0.855 4.815 3.960 -0.000 0.000 0.297 345 G C -0.580 173.888 174.900 -0.720 0.000 1.547 345 G CA 0.699 45.204 45.100 -0.992 0.000 0.833 345 G HN 2.197 nan 8.290 nan 0.000 0.583 346 S N -1.398 114.078 115.700 -0.373 0.000 2.579 346 S HA 0.832 5.301 4.470 -0.000 0.000 0.272 346 S C -1.395 173.258 174.600 0.089 0.000 1.141 346 S CA -0.790 57.382 58.200 -0.048 0.000 0.843 346 S CB 2.222 65.435 63.200 0.020 0.000 1.122 346 S HN 1.467 nan 8.310 nan 0.000 0.468 347 V N 2.572 122.569 119.914 0.138 0.000 2.482 347 V HA 0.751 4.871 4.120 -0.000 0.000 0.295 347 V C -0.385 175.725 176.094 0.026 0.000 1.026 347 V CA -0.489 61.862 62.300 0.086 0.000 0.856 347 V CB 1.201 33.054 31.823 0.051 0.000 1.001 347 V HN 1.211 nan 8.190 nan 0.000 0.424 348 K N 4.707 125.115 120.400 0.013 0.000 2.318 348 K HA 0.908 5.228 4.320 -0.000 0.000 0.265 348 K C -1.843 174.756 176.600 -0.002 0.000 1.055 348 K CA -0.884 55.445 56.287 0.070 0.000 0.896 348 K CB 2.174 34.825 32.500 0.253 0.000 1.479 348 K HN 0.404 nan 8.250 nan 0.000 0.449 349 L N 0.141 121.479 121.223 0.192 0.000 2.401 349 L HA 0.542 4.882 4.340 -0.000 0.000 0.266 349 L C -1.415 175.567 176.870 0.187 0.000 0.991 349 L CA -0.198 54.743 54.840 0.169 0.000 0.818 349 L CB 2.179 44.394 42.059 0.260 0.000 1.321 349 L HN 0.874 nan 8.230 nan 0.000 0.413 350 E N 3.909 124.163 120.200 0.091 0.000 2.199 350 E HA 0.594 4.944 4.350 -0.000 0.000 0.269 350 E C -1.585 175.005 176.600 -0.017 0.000 0.899 350 E CA -0.678 55.701 56.400 -0.034 0.000 0.772 350 E CB 1.636 31.254 29.700 -0.137 0.000 1.155 350 E HN 0.577 nan 8.360 nan 0.000 0.408 351 I N 3.768 124.301 120.570 -0.062 0.000 2.418 351 I HA 0.323 4.493 4.170 -0.000 0.000 0.287 351 I C -0.502 175.529 176.117 -0.144 0.000 1.008 351 I CA -0.476 60.799 61.300 -0.042 0.000 1.104 351 I CB 1.681 39.717 38.000 0.061 0.000 1.264 351 I HN 0.522 nan 8.210 nan 0.000 0.438 352 E N 4.864 124.965 120.200 -0.165 0.000 2.408 352 E HA 0.805 5.155 4.350 -0.000 0.000 0.275 352 E C 0.029 176.381 176.600 -0.414 0.000 0.935 352 E CA -0.807 55.456 56.400 -0.228 0.000 0.775 352 E CB 2.172 31.815 29.700 -0.094 0.000 1.277 352 E HN 0.776 nan 8.360 nan 0.000 0.455 353 G N 1.122 109.395 108.800 -0.878 0.000 2.553 353 G HA2 0.076 4.036 3.960 -0.000 0.000 0.242 353 G HA3 0.076 4.036 3.960 -0.000 0.000 0.242 353 G C -0.153 174.363 174.900 -0.640 0.000 1.277 353 G CA 0.623 44.774 45.100 -1.581 0.000 0.910 353 G HN 1.362 nan 8.290 nan 0.000 0.576 354 M N -2.881 116.519 119.600 -0.334 0.000 3.118 354 M HA 0.599 5.079 4.480 -0.000 0.000 0.276 354 M C -3.452 172.880 176.300 0.053 0.000 1.099 354 M CA -1.721 53.508 55.300 -0.118 0.000 0.802 354 M CB -0.091 32.447 32.600 -0.103 0.000 1.618 354 M HN 0.474 nan 8.290 nan 0.000 0.535 355 P HA 0.601 nan 4.420 nan 0.000 0.275 355 P C -1.318 176.058 177.300 0.127 0.000 1.227 355 P CA 0.257 63.332 63.100 -0.040 0.000 0.781 355 P CB 0.108 31.766 31.700 -0.069 0.000 0.906 356 F N -1.026 118.938 119.950 0.024 0.000 2.654 356 F HA 0.777 5.304 4.527 -0.000 0.000 0.308 356 F C 0.157 175.990 175.800 0.055 0.000 1.108 356 F CA -1.226 56.798 58.000 0.040 0.000 0.957 356 F CB 0.637 39.684 39.000 0.079 0.000 1.309 356 F HN 0.374 nan 8.300 nan 0.000 0.446 357 G N 0.169 109.071 108.800 0.171 0.000 2.543 357 G HA2 0.355 4.315 3.960 -0.000 0.000 0.290 357 G HA3 0.355 4.315 3.960 -0.000 0.000 0.290 357 G C -1.207 173.633 174.900 -0.100 0.000 1.310 357 G CA -0.698 44.406 45.100 0.006 0.000 1.025 357 G HN 0.784 nan 8.290 nan 0.000 0.502 358 N N -0.049 118.499 118.700 -0.253 0.000 2.703 358 N HA 0.273 5.013 4.740 -0.000 0.000 0.283 358 N C -1.477 173.934 175.510 -0.165 0.000 1.851 358 N CA -1.548 51.212 53.050 -0.485 0.000 0.826 358 N CB 1.394 39.474 38.487 -0.677 0.000 1.239 358 N HN 0.099 nan 8.380 nan 0.000 0.495 359 P HA -0.115 nan 4.420 nan 0.000 0.219 359 P C 0.614 177.932 177.300 0.030 0.000 1.146 359 P CA 1.112 64.212 63.100 -0.000 0.000 0.808 359 P CB 0.577 32.293 31.700 0.027 0.000 0.779 360 K N -1.073 119.353 120.400 0.044 0.000 2.400 360 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 360 K C 0.329 176.998 176.600 0.116 0.000 1.033 360 K CA -0.119 56.223 56.287 0.093 0.000 1.021 360 K CB 0.148 32.719 32.500 0.119 0.000 0.808 360 K HN -0.201 nan 8.250 nan 0.000 0.505 361 R N 0.986 121.534 120.500 0.081 0.000 3.423 361 R HA -0.118 4.222 4.340 -0.000 0.000 0.271 361 R C -0.337 176.148 176.300 0.309 0.000 1.093 361 R CA 1.227 57.417 56.100 0.150 0.000 0.730 361 R CB -3.359 27.028 30.300 0.144 0.000 1.190 361 R HN 0.498 nan 8.270 nan 0.000 0.437 362 T N -2.005 112.661 114.554 0.186 0.000 2.860 362 T HA 0.343 4.693 4.350 -0.000 0.000 0.299 362 T C -0.613 174.116 174.700 0.048 0.000 1.045 362 T CA -1.062 61.061 62.100 0.039 0.000 1.071 362 T CB 1.553 70.428 68.868 0.012 0.000 0.985 362 T HN -0.021 nan 8.240 nan 0.000 0.537 363 P HA 0.115 nan 4.420 nan 0.000 0.229 363 P C 0.594 177.994 177.300 0.168 0.000 1.160 363 P CA 0.277 63.292 63.100 -0.141 0.000 0.777 363 P CB -0.335 30.919 31.700 -0.744 0.000 0.814 364 A N 1.359 124.243 122.820 0.107 0.000 2.540 364 A HA 0.054 4.374 4.320 -0.000 0.000 0.239 364 A C 0.555 178.197 177.584 0.097 0.000 1.061 364 A CA -0.193 51.899 52.037 0.092 0.000 0.758 364 A CB -0.493 18.490 19.000 -0.027 0.000 0.991 364 A HN 0.121 nan 8.150 nan 0.000 0.502 365 R N 1.795 122.281 120.500 -0.023 0.000 2.442 365 R HA 0.271 4.611 4.340 -0.000 0.000 0.291 365 R C -0.929 175.306 176.300 -0.109 0.000 1.069 365 R CA -0.124 55.977 56.100 0.001 0.000 1.022 365 R CB 0.141 30.387 30.300 -0.090 0.000 0.976 365 R HN 0.875 nan 8.270 nan 0.000 0.443 366 H N 2.428 121.423 119.070 -0.126 0.000 2.479 366 H HA 0.325 4.881 4.556 -0.000 0.000 0.335 366 H C -0.133 174.843 175.328 -0.587 0.000 1.142 366 H CA -0.597 55.216 56.048 -0.392 0.000 1.234 366 H CB 1.051 30.616 29.762 -0.327 0.000 1.503 366 H HN 0.397 nan 8.280 nan 0.000 0.510 367 R N 1.431 121.367 120.500 -0.941 0.000 2.543 367 R HA 0.011 4.351 4.340 -0.000 0.000 0.277 367 R C -0.136 175.914 176.300 -0.417 0.000 1.074 367 R CA -0.044 55.745 56.100 -0.518 0.000 1.076 367 R CB 0.573 30.678 30.300 -0.325 0.000 0.993 367 R HN 0.746 nan 8.270 nan 0.000 0.459 368 D N 0.413 120.674 120.400 -0.231 0.000 2.367 368 D HA 0.174 4.814 4.640 -0.000 0.000 0.207 368 D C 0.109 176.325 176.300 -0.140 0.000 1.034 368 D CA 0.508 54.408 54.000 -0.166 0.000 0.861 368 D CB 0.754 41.482 40.800 -0.120 0.000 0.943 368 D HN 0.574 nan 8.370 nan 0.000 0.515 369 A N -0.339 122.393 122.820 -0.147 0.000 2.581 369 A HA 0.538 4.858 4.320 -0.000 0.000 0.290 369 A C -0.743 176.748 177.584 -0.155 0.000 1.119 369 A CA -0.700 51.251 52.037 -0.144 0.000 0.670 369 A CB 0.738 19.649 19.000 -0.149 0.000 1.280 369 A HN -0.057 nan 8.150 nan 0.000 0.425 370 M N 1.133 120.621 119.600 -0.187 0.000 2.252 370 M HA 0.299 4.779 4.480 -0.000 0.000 0.333 370 M C 1.068 177.258 176.300 -0.184 0.000 1.111 370 M CA 0.687 55.864 55.300 -0.206 0.000 1.140 370 M CB 0.255 32.709 32.600 -0.244 0.000 1.538 370 M HN 0.897 nan 8.290 nan 0.000 0.448 371 G N 1.371 110.088 108.800 -0.138 0.000 2.467 371 G HA2 0.486 4.446 3.960 -0.000 0.000 0.257 371 G HA3 0.486 4.446 3.960 -0.000 0.000 0.257 371 G C -0.903 173.945 174.900 -0.087 0.000 1.227 371 G CA -0.568 44.482 45.100 -0.083 0.000 0.835 371 G HN 0.567 nan 8.290 nan 0.000 0.556 372 V N 3.176 123.067 119.914 -0.038 0.000 2.380 372 V HA 0.275 4.395 4.120 -0.000 0.000 0.286 372 V C -0.740 175.395 176.094 0.068 0.000 1.015 372 V CA -0.765 61.559 62.300 0.040 0.000 0.834 372 V CB 1.225 33.112 31.823 0.107 0.000 1.009 372 V HN 0.589 nan 8.190 nan 0.000 0.428 373 L N 5.053 126.311 121.223 0.059 0.000 2.280 373 L HA 0.855 5.194 4.340 -0.000 0.000 0.287 373 L C 0.424 177.341 176.870 0.079 0.000 1.023 373 L CA -0.570 54.306 54.840 0.060 0.000 0.819 373 L CB 1.149 43.199 42.059 -0.015 0.000 1.212 373 L HN 0.717 nan 8.230 nan 0.000 0.420 374 A N 6.576 129.454 122.820 0.098 0.000 2.320 374 A HA 0.702 5.022 4.320 -0.000 0.000 0.287 374 A C -0.871 176.798 177.584 0.141 0.000 1.181 374 A CA -0.288 51.790 52.037 0.069 0.000 0.831 374 A CB 0.045 19.076 19.000 0.051 0.000 1.102 374 A HN 0.710 nan 8.150 nan 0.000 0.513 375 L N 1.876 123.176 121.223 0.130 0.000 2.410 375 L HA 0.741 5.080 4.340 -0.000 0.000 0.270 375 L C 0.103 177.114 176.870 0.235 0.000 0.983 375 L CA -0.346 54.650 54.840 0.259 0.000 0.822 375 L CB 2.280 44.478 42.059 0.231 0.000 1.285 375 L HN 0.764 nan 8.230 nan 0.000 0.409 376 A N 2.383 125.409 122.820 0.343 0.000 2.371 376 A HA 0.777 5.097 4.320 -0.000 0.000 0.311 376 A C -1.078 176.803 177.584 0.496 0.000 1.068 376 A CA -0.450 51.806 52.037 0.364 0.000 0.744 376 A CB 1.705 20.887 19.000 0.304 0.000 1.239 376 A HN 0.729 nan 8.150 nan 0.000 0.435 377 E N 1.643 122.072 120.200 0.381 0.000 2.246 377 E HA 0.624 4.974 4.350 -0.000 0.000 0.266 377 E C -1.473 175.244 176.600 0.195 0.000 0.880 377 E CA -0.506 56.019 56.400 0.209 0.000 0.762 377 E CB 1.341 31.099 29.700 0.097 0.000 1.180 377 E HN 0.763 nan 8.360 nan 0.000 0.416 378 W N 2.039 123.240 121.300 -0.165 0.000 3.074 378 W HA 0.520 5.180 4.660 -0.000 0.000 0.332 378 W C -1.498 174.935 176.519 -0.144 0.000 1.253 378 W CA -1.070 56.149 57.345 -0.209 0.000 1.180 378 W CB 0.878 30.270 29.460 -0.112 0.000 1.445 378 W HN 0.283 nan 8.180 nan 0.000 0.573 379 S N 0.990 116.689 115.700 -0.001 0.000 2.411 379 S HA 0.367 4.837 4.470 -0.000 0.000 0.294 379 S C 1.050 175.688 174.600 0.063 0.000 1.115 379 S CA 0.198 58.355 58.200 -0.073 0.000 1.071 379 S CB 0.451 63.638 63.200 -0.023 0.000 0.967 379 S HN 1.048 nan 8.310 nan 0.000 0.488 380 G N 3.590 112.341 108.800 -0.081 0.000 2.498 380 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.219 380 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.219 380 G C 1.289 176.233 174.900 0.073 0.000 1.119 380 G CA 0.641 45.780 45.100 0.065 0.000 0.766 380 G HN 0.863 nan 8.290 nan 0.000 0.552 381 A N 0.220 123.056 122.820 0.026 0.000 2.072 381 A HA 0.661 4.981 4.320 -0.000 0.000 0.216 381 A C 1.697 179.312 177.584 0.050 0.000 1.156 381 A CA 0.920 52.971 52.037 0.024 0.000 0.701 381 A CB -0.223 18.775 19.000 -0.004 0.000 0.816 381 A HN 0.695 nan 8.150 nan 0.000 0.458 382 A N 1.127 123.996 122.820 0.082 0.000 2.440 382 A HA 0.521 4.841 4.320 -0.000 0.000 0.251 382 A C -2.468 175.175 177.584 0.099 0.000 1.089 382 A CA -1.084 51.010 52.037 0.095 0.000 0.779 382 A CB -0.362 18.715 19.000 0.130 0.000 1.022 382 A HN 0.241 nan 8.150 nan 0.000 0.492 383 P HA 0.374 nan 4.420 nan 0.000 0.275 383 P C 0.930 178.253 177.300 0.038 0.000 1.227 383 P CA 1.207 64.334 63.100 0.045 0.000 0.781 383 P CB 0.902 32.619 31.700 0.028 0.000 0.906 384 G N 2.054 110.858 108.800 0.007 0.000 2.168 384 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 384 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 384 G C 1.095 175.946 174.900 -0.080 0.000 0.977 384 G CA 0.653 45.727 45.100 -0.044 0.000 0.659 384 G HN 0.638 nan 8.290 nan 0.000 0.533 385 S N 0.594 116.308 115.700 0.023 0.000 2.515 385 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 385 S C 1.925 176.403 174.600 -0.203 0.000 0.987 385 S CA 1.347 59.614 58.200 0.111 0.000 0.936 385 S CB -0.137 63.289 63.200 0.376 0.000 0.766 385 S HN 0.779 nan 8.310 nan 0.000 0.528 386 E N 3.125 123.187 120.200 -0.230 0.000 2.409 386 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 386 E C 1.724 178.078 176.600 -0.411 0.000 1.024 386 E CA 1.147 57.342 56.400 -0.342 0.000 0.861 386 E CB -0.550 29.042 29.700 -0.180 0.000 0.788 386 E HN 0.931 nan 8.360 nan 0.000 0.521 387 K N 0.371 120.505 120.400 -0.443 0.000 2.211 387 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 387 K C 1.538 177.821 176.600 -0.528 0.000 1.050 387 K CA 1.069 57.072 56.287 -0.474 0.000 0.945 387 K CB -0.508 31.695 32.500 -0.495 0.000 0.732 387 K HN 0.060 nan 8.250 nan 0.000 0.451 388 Y N 2.118 122.196 120.300 -0.369 0.000 2.133 388 Y HA -0.054 4.496 4.550 -0.000 0.000 0.287 388 Y C -0.469 175.182 175.900 -0.414 0.000 1.134 388 Y CA 0.683 58.578 58.100 -0.342 0.000 1.133 388 Y CB -1.704 36.597 38.460 -0.265 0.000 0.987 388 Y HN 0.150 nan 8.280 nan 0.000 0.502 389 P HA -0.143 nan 4.420 nan 0.000 0.218 389 P C 1.270 178.437 177.300 -0.221 0.000 1.149 389 P CA 1.501 64.339 63.100 -0.436 0.000 0.817 389 P CB 0.214 31.519 31.700 -0.658 0.000 0.785 390 E N -0.185 119.870 120.200 -0.241 0.000 2.077 390 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 390 E C 2.021 178.553 176.600 -0.112 0.000 0.989 390 E CA 0.745 57.052 56.400 -0.155 0.000 0.800 390 E CB -1.005 28.597 29.700 -0.163 0.000 0.746 390 E HN 0.132 nan 8.360 nan 0.000 0.452 391 L N 0.512 121.661 121.223 -0.122 0.000 2.083 391 L HA -0.076 4.263 4.340 -0.000 0.000 0.209 391 L C 2.184 179.014 176.870 -0.066 0.000 1.083 391 L CA 1.863 56.655 54.840 -0.079 0.000 0.752 391 L CB -0.840 41.181 42.059 -0.065 0.000 0.899 391 L HN 0.061 nan 8.230 nan 0.000 0.433 392 A N -0.880 121.908 122.820 -0.055 0.000 1.930 392 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 392 A C 2.409 179.983 177.584 -0.016 0.000 1.175 392 A CA 1.466 53.480 52.037 -0.037 0.000 0.627 392 A CB -0.451 18.564 19.000 0.025 0.000 0.815 392 A HN 0.430 nan 8.150 nan 0.000 0.443 393 R N -0.404 120.087 120.500 -0.014 0.000 2.092 393 R HA -0.105 4.234 4.340 -0.000 0.000 0.231 393 R C 2.084 178.381 176.300 -0.004 0.000 1.119 393 R CA 1.450 57.553 56.100 0.004 0.000 0.970 393 R CB -0.296 30.002 30.300 -0.004 0.000 0.864 393 R HN 0.668 nan 8.270 nan 0.000 0.440 394 E N 0.631 120.817 120.200 -0.023 0.000 2.077 394 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 394 E C 1.960 178.551 176.600 -0.016 0.000 0.989 394 E CA 1.046 57.434 56.400 -0.020 0.000 0.800 394 E CB -0.112 29.572 29.700 -0.027 0.000 0.746 394 E HN 0.086 nan 8.360 nan 0.000 0.452 395 L N 1.768 122.969 121.223 -0.037 0.000 1.994 395 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 395 L C 1.965 178.824 176.870 -0.018 0.000 1.071 395 L CA 2.298 57.107 54.840 -0.052 0.000 0.745 395 L CB -0.654 41.304 42.059 -0.169 0.000 0.892 395 L HN 0.021 nan 8.230 nan 0.000 0.431 396 D N -0.670 119.727 120.400 -0.004 0.000 2.133 396 D HA -0.228 4.412 4.640 -0.000 0.000 0.195 396 D C 2.004 178.316 176.300 0.021 0.000 0.997 396 D CA 1.639 55.655 54.000 0.026 0.000 0.840 396 D CB -0.067 40.766 40.800 0.055 0.000 0.947 396 D HN 0.486 nan 8.370 nan 0.000 0.452 397 A N -0.013 122.816 122.820 0.015 0.000 1.968 397 A HA 0.224 4.543 4.320 -0.000 0.000 0.217 397 A C 2.309 179.898 177.584 0.008 0.000 1.169 397 A CA 1.599 53.642 52.037 0.010 0.000 0.638 397 A CB -0.763 18.243 19.000 0.009 0.000 0.812 397 A HN 0.325 nan 8.150 nan 0.000 0.446 398 A N -0.040 122.786 122.820 0.009 0.000 1.898 398 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 398 A C 2.100 179.692 177.584 0.014 0.000 1.181 398 A CA 1.371 53.415 52.037 0.011 0.000 0.620 398 A CB -0.514 18.496 19.000 0.017 0.000 0.819 398 A HN 0.457 nan 8.150 nan 0.000 0.442 399 L N -1.209 120.027 121.223 0.021 0.000 2.156 399 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 399 L C 2.495 179.389 176.870 0.040 0.000 1.095 399 L CA 0.625 55.486 54.840 0.035 0.000 0.770 399 L CB -0.491 41.605 42.059 0.063 0.000 0.914 399 L HN 0.381 nan 8.230 nan 0.000 0.439 400 L N 0.509 121.744 121.223 0.020 0.000 2.027 400 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 400 L C 2.798 179.667 176.870 -0.000 0.000 1.074 400 L CA 1.699 56.538 54.840 -0.001 0.000 0.745 400 L CB -0.546 41.499 42.059 -0.024 0.000 0.898 400 L HN 0.147 nan 8.230 nan 0.000 0.433 401 R N -0.412 120.089 120.500 0.002 0.000 2.081 401 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 401 R C 2.097 178.399 176.300 0.004 0.000 1.131 401 R CA 1.383 57.483 56.100 0.001 0.000 0.960 401 R CB -0.489 29.812 30.300 0.002 0.000 0.856 401 R HN 0.398 nan 8.270 nan 0.000 0.436 402 A N -0.273 122.552 122.820 0.009 0.000 2.076 402 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 402 A C 1.758 179.353 177.584 0.018 0.000 1.160 402 A CA 1.449 53.492 52.037 0.011 0.000 0.653 402 A CB -0.738 18.268 19.000 0.010 0.000 0.801 402 A HN 0.736 nan 8.150 nan 0.000 0.455 403 G N -2.338 106.474 108.800 0.020 0.000 2.175 403 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 403 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 403 G C 1.105 176.030 174.900 0.041 0.000 0.982 403 G CA 0.819 45.931 45.100 0.019 0.000 0.641 403 G HN 1.602 nan 8.290 nan 0.000 0.527 404 V N -1.127 118.836 119.914 0.082 0.000 3.235 404 V HA 0.412 4.532 4.120 -0.000 0.000 0.259 404 V C 1.135 177.339 176.094 0.183 0.000 1.133 404 V CA 1.698 64.102 62.300 0.175 0.000 1.128 404 V CB -0.346 31.645 31.823 0.281 0.000 0.757 404 V HN 1.170 nan 8.190 nan 0.000 0.469 405 T N -0.459 114.159 114.554 0.106 0.000 2.932 405 T HA 0.563 4.912 4.350 -0.000 0.000 0.289 405 T C 0.128 174.803 174.700 -0.042 0.000 1.039 405 T CA 0.214 62.334 62.100 0.033 0.000 1.024 405 T CB 1.348 70.252 68.868 0.059 0.000 1.090 405 T HN 0.568 nan 8.240 nan 0.000 0.496 406 T N -0.230 114.272 114.554 -0.087 0.000 2.930 406 T HA 0.219 4.569 4.350 -0.000 0.000 0.306 406 T C 1.567 176.161 174.700 -0.177 0.000 1.045 406 T CA -0.148 61.883 62.100 -0.116 0.000 1.134 406 T CB 0.725 69.520 68.868 -0.122 0.000 0.961 406 T HN 0.897 nan 8.240 nan 0.000 0.545 407 S N 1.514 117.115 115.700 -0.165 0.000 2.481 407 S HA 0.156 4.625 4.470 -0.000 0.000 0.231 407 S C 1.172 175.564 174.600 -0.347 0.000 0.996 407 S CA -0.116 57.950 58.200 -0.223 0.000 0.942 407 S CB -0.629 62.494 63.200 -0.129 0.000 0.768 407 S HN 1.139 nan 8.310 nan 0.000 0.520 408 G N 0.424 109.066 108.800 -0.264 0.000 2.420 408 G HA2 0.530 4.490 3.960 -0.000 0.000 0.284 408 G HA3 0.530 4.490 3.960 -0.000 0.000 0.284 408 G C -0.628 174.081 174.900 -0.318 0.000 1.177 408 G CA -0.858 44.106 45.100 -0.226 0.000 0.841 408 G HN 0.267 nan 8.290 nan 0.000 0.527 409 F N 0.339 120.269 119.950 -0.033 0.000 2.380 409 F HA 0.451 4.978 4.527 -0.000 0.000 0.325 409 F C 1.614 177.378 175.800 -0.060 0.000 1.136 409 F CA 0.513 58.490 58.000 -0.038 0.000 1.171 409 F CB 1.409 40.387 39.000 -0.037 0.000 1.230 409 F HN 0.542 nan 8.300 nan 0.000 0.554 410 G N 1.150 110.026 108.800 0.127 0.000 2.655 410 G HA2 0.231 4.191 3.960 -0.000 0.000 0.217 410 G HA3 0.231 4.191 3.960 -0.000 0.000 0.217 410 G C -0.148 174.749 174.900 -0.006 0.000 1.279 410 G CA -0.031 45.085 45.100 0.027 0.000 0.870 410 G HN 0.357 nan 8.290 nan 0.000 0.560 411 L N 0.530 121.751 121.223 -0.004 0.000 2.381 411 L HA 0.408 4.748 4.340 -0.000 0.000 0.268 411 L C 1.054 177.858 176.870 -0.110 0.000 0.997 411 L CA -0.710 54.091 54.840 -0.066 0.000 0.818 411 L CB 2.612 44.657 42.059 -0.023 0.000 1.310 411 L HN 0.151 nan 8.230 nan 0.000 0.416 412 L N 1.425 122.483 121.223 -0.275 0.000 2.093 412 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 412 L C 1.716 178.441 176.870 -0.243 0.000 1.085 412 L CA 0.994 55.531 54.840 -0.505 0.000 0.755 412 L CB -0.271 41.075 42.059 -1.188 0.000 0.904 412 L HN 0.711 nan 8.230 nan 0.000 0.435 413 N N 0.315 118.998 118.700 -0.028 0.000 2.519 413 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 413 N C 0.849 176.495 175.510 0.226 0.000 1.062 413 N CA 0.823 53.991 53.050 0.196 0.000 0.910 413 N CB -0.281 38.284 38.487 0.129 0.000 0.958 413 N HN 0.332 nan 8.380 nan 0.000 0.445 414 N N -0.183 118.603 118.700 0.143 0.000 2.214 414 N HA 0.113 4.853 4.740 -0.000 0.000 0.214 414 N C -0.881 174.817 175.510 0.313 0.000 1.132 414 N CA -0.041 53.102 53.050 0.156 0.000 0.856 414 N CB 0.382 38.885 38.487 0.027 0.000 1.020 414 N HN 0.061 nan 8.380 nan 0.000 0.509 415 N N -0.509 118.372 118.700 0.300 0.000 2.346 415 N HA 0.119 4.859 4.740 -0.000 0.000 0.289 415 N C 0.076 175.706 175.510 0.200 0.000 1.027 415 N CA 0.000 53.183 53.050 0.222 0.000 0.864 415 N CB 1.894 40.383 38.487 0.002 0.000 1.370 415 N HN 0.042 nan 8.380 nan 0.000 0.481 416 S N 0.586 116.378 115.700 0.153 0.000 2.535 416 S HA 0.147 4.617 4.470 -0.000 0.000 0.214 416 S C 0.424 175.008 174.600 -0.027 0.000 0.980 416 S CA 0.215 58.400 58.200 -0.026 0.000 0.907 416 S CB 0.175 63.245 63.200 -0.217 0.000 0.790 416 S HN 0.499 nan 8.310 nan 0.000 0.510 417 E N 1.479 121.676 120.200 -0.004 0.000 3.786 417 E HA 0.375 4.725 4.350 -0.000 0.000 0.215 417 E C -1.403 175.168 176.600 -0.049 0.000 1.188 417 E CA -0.223 56.168 56.400 -0.015 0.000 1.248 417 E CB 1.331 31.029 29.700 -0.002 0.000 1.260 417 E HN 0.190 nan 8.360 nan 0.000 0.426 418 V N 2.235 122.152 119.914 0.004 0.000 2.479 418 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 418 V C 0.696 176.817 176.094 0.046 0.000 1.031 418 V CA 0.105 62.410 62.300 0.008 0.000 1.038 418 V CB 0.692 32.624 31.823 0.182 0.000 0.981 418 V HN 0.528 nan 8.190 nan 0.000 0.478 419 T N 2.210 116.747 114.554 -0.029 0.000 2.952 419 T HA 0.654 5.004 4.350 -0.000 0.000 0.286 419 T C 1.242 175.965 174.700 0.039 0.000 1.024 419 T CA -0.115 61.994 62.100 0.015 0.000 1.029 419 T CB 1.908 70.767 68.868 -0.016 0.000 1.094 419 T HN 0.638 nan 8.240 nan 0.000 0.515 420 A N 0.291 123.147 122.820 0.060 0.000 1.917 420 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 420 A C 2.212 179.813 177.584 0.028 0.000 1.182 420 A CA 2.198 54.276 52.037 0.070 0.000 0.633 420 A CB -1.213 17.823 19.000 0.060 0.000 0.819 420 A HN 1.039 nan 8.150 nan 0.000 0.448 421 E N -0.985 119.221 120.200 0.009 0.000 2.077 421 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 421 E C 2.031 178.637 176.600 0.011 0.000 0.989 421 E CA 1.382 57.783 56.400 0.002 0.000 0.800 421 E CB -0.201 29.514 29.700 0.025 0.000 0.746 421 E HN 0.687 nan 8.360 nan 0.000 0.452 422 M N 0.191 119.776 119.600 -0.025 0.000 2.132 422 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 422 M C 2.146 178.427 176.300 -0.030 0.000 1.065 422 M CA 1.118 56.372 55.300 -0.078 0.000 1.122 422 M CB 0.085 32.489 32.600 -0.328 0.000 1.365 422 M HN 0.074 nan 8.290 nan 0.000 0.411 423 V N 1.009 120.937 119.914 0.023 0.000 2.231 423 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 423 V C 2.681 178.933 176.094 0.264 0.000 1.054 423 V CA 2.182 64.579 62.300 0.162 0.000 1.015 423 V CB -1.633 30.378 31.823 0.313 0.000 0.638 423 V HN 0.655 nan 8.190 nan 0.000 0.444 424 A N -0.526 122.353 122.820 0.098 0.000 1.892 424 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 424 A C 2.354 179.965 177.584 0.046 0.000 1.188 424 A CA 2.289 54.254 52.037 -0.120 0.000 0.631 424 A CB -0.618 18.142 19.000 -0.400 0.000 0.822 424 A HN 0.655 nan 8.150 nan 0.000 0.447 425 E N -0.200 120.025 120.200 0.041 0.000 2.072 425 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 425 E C 1.970 178.611 176.600 0.068 0.000 0.985 425 E CA 1.553 57.990 56.400 0.062 0.000 0.801 425 E CB -0.123 29.631 29.700 0.090 0.000 0.750 425 E HN 0.341 nan 8.360 nan 0.000 0.452 426 V N 0.533 120.463 119.914 0.027 0.000 2.307 426 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 426 V C 2.091 178.143 176.094 -0.070 0.000 1.045 426 V CA 1.728 63.987 62.300 -0.069 0.000 1.024 426 V CB -0.750 30.941 31.823 -0.220 0.000 0.651 426 V HN 0.309 nan 8.190 nan 0.000 0.449 427 Y N 0.382 120.744 120.300 0.104 0.000 2.242 427 Y HA 0.010 4.560 4.550 -0.000 0.000 0.291 427 Y C 1.198 177.189 175.900 0.150 0.000 1.137 427 Y CA 0.465 58.650 58.100 0.141 0.000 1.181 427 Y CB -0.274 38.316 38.460 0.217 0.000 0.989 427 Y HN 0.280 nan 8.280 nan 0.000 0.527 428 K N -3.029 117.535 120.400 0.273 0.000 8.802 428 K HA -0.146 4.174 4.320 -0.000 0.000 0.670 428 K C -2.658 174.076 176.600 0.223 0.000 2.556 428 K CA 0.110 56.511 56.287 0.190 0.000 1.923 428 K CB -1.288 31.304 32.500 0.154 0.000 2.053 428 K HN -0.091 nan 8.250 nan 0.000 0.368 429 P HA -0.176 nan 4.420 nan 0.000 0.215 429 P C 0.608 178.016 177.300 0.181 0.000 1.157 429 P CA 1.539 64.728 63.100 0.147 0.000 0.868 429 P CB 0.193 31.943 31.700 0.083 0.000 0.788 430 E N -0.815 119.473 120.200 0.147 0.000 2.106 430 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 430 E C 1.996 178.698 176.600 0.170 0.000 0.984 430 E CA 0.843 57.317 56.400 0.123 0.000 0.806 430 E CB -1.068 28.681 29.700 0.081 0.000 0.750 430 E HN 0.022 nan 8.360 nan 0.000 0.458 431 V N 0.165 120.229 119.914 0.251 0.000 2.323 431 V HA -0.248 3.871 4.120 -0.000 0.000 0.244 431 V C 1.916 178.205 176.094 0.325 0.000 1.041 431 V CA 1.727 64.247 62.300 0.366 0.000 1.025 431 V CB -0.550 31.517 31.823 0.407 0.000 0.656 431 V HN 0.298 nan 8.190 nan 0.000 0.451 432 Y N 1.308 121.714 120.300 0.177 0.000 2.165 432 Y HA -0.287 4.263 4.550 -0.000 0.000 0.286 432 Y C 2.800 178.764 175.900 0.108 0.000 1.155 432 Y CA 2.095 60.263 58.100 0.114 0.000 1.164 432 Y CB -0.161 38.376 38.460 0.128 0.000 0.978 432 Y HN 0.217 nan 8.280 nan 0.000 0.513 433 S N -0.145 115.720 115.700 0.276 0.000 2.368 433 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 433 S C 2.011 176.666 174.600 0.091 0.000 1.030 433 S CA 1.399 59.702 58.200 0.171 0.000 0.999 433 S CB -0.368 62.913 63.200 0.136 0.000 0.844 433 S HN 0.424 nan 8.310 nan 0.000 0.459 434 R N 0.806 121.362 120.500 0.094 0.000 2.081 434 R HA -0.013 4.327 4.340 -0.000 0.000 0.235 434 R C 2.169 178.576 176.300 0.177 0.000 1.131 434 R CA 1.131 57.258 56.100 0.046 0.000 0.960 434 R CB -0.374 29.837 30.300 -0.149 0.000 0.856 434 R HN 0.355 nan 8.270 nan 0.000 0.436 435 L N -0.119 121.244 121.223 0.234 0.000 2.083 435 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 435 L C 2.629 179.529 176.870 0.050 0.000 1.083 435 L CA 1.278 56.196 54.840 0.129 0.000 0.752 435 L CB -0.499 41.479 42.059 -0.136 0.000 0.899 435 L HN 0.308 nan 8.230 nan 0.000 0.433 436 A N -0.105 122.673 122.820 -0.071 0.000 1.969 436 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 436 A C 2.527 180.141 177.584 0.050 0.000 1.169 436 A CA 1.505 53.514 52.037 -0.045 0.000 0.635 436 A CB -0.544 18.433 19.000 -0.039 0.000 0.810 436 A HN 0.395 nan 8.150 nan 0.000 0.445 437 A N -0.351 122.501 122.820 0.053 0.000 1.877 437 A HA -0.009 4.310 4.320 -0.000 0.000 0.216 437 A C 2.197 179.823 177.584 0.070 0.000 1.186 437 A CA 1.772 53.838 52.037 0.048 0.000 0.620 437 A CB -0.985 18.030 19.000 0.025 0.000 0.822 437 A HN 0.408 nan 8.150 nan 0.000 0.443 438 V N 0.337 120.302 119.914 0.085 0.000 2.332 438 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 438 V C 2.555 178.799 176.094 0.250 0.000 1.055 438 V CA 2.489 64.841 62.300 0.086 0.000 1.038 438 V CB -0.724 30.963 31.823 -0.227 0.000 0.651 438 V HN 0.615 nan 8.190 nan 0.000 0.450 439 K N 0.642 121.250 120.400 0.345 0.000 2.032 439 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 439 K C 2.269 178.999 176.600 0.217 0.000 1.048 439 K CA 1.603 58.120 56.287 0.382 0.000 0.927 439 K CB -0.348 32.276 32.500 0.207 0.000 0.712 439 K HN 0.338 nan 8.250 nan 0.000 0.441 440 R N -0.017 120.557 120.500 0.124 0.000 2.120 440 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 440 R C 2.326 178.639 176.300 0.022 0.000 1.123 440 R CA 1.674 57.812 56.100 0.063 0.000 0.975 440 R CB -0.169 30.153 30.300 0.037 0.000 0.866 440 R HN 0.449 nan 8.270 nan 0.000 0.446 441 E N -0.457 119.738 120.200 -0.009 0.000 2.076 441 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 441 E C 1.022 177.453 176.600 -0.281 0.000 0.979 441 E CA 1.065 57.341 56.400 -0.207 0.000 0.807 441 E CB 0.152 29.629 29.700 -0.372 0.000 0.761 441 E HN 0.338 nan 8.360 nan 0.000 0.454 442 Y N -0.884 119.474 120.300 0.095 0.000 2.522 442 Y HA 0.175 4.725 4.550 -0.000 0.000 0.277 442 Y C 0.574 176.583 175.900 0.182 0.000 1.104 442 Y CA 0.311 58.491 58.100 0.133 0.000 1.260 442 Y CB 0.895 39.442 38.460 0.146 0.000 1.151 442 Y HN -0.042 nan 8.280 nan 0.000 0.539 443 D N -0.072 120.525 120.400 0.328 0.000 2.772 443 D HA 0.190 4.830 4.640 -0.000 0.000 0.326 443 D C -2.213 174.168 176.300 0.134 0.000 1.207 443 D CA -2.169 51.977 54.000 0.243 0.000 0.777 443 D CB 0.692 41.672 40.800 0.299 0.000 1.169 443 D HN -0.042 nan 8.370 nan 0.000 0.506 444 P HA -0.094 nan 4.420 nan 0.000 0.220 444 P C 0.665 177.983 177.300 0.029 0.000 1.148 444 P CA 0.842 63.972 63.100 0.050 0.000 0.803 444 P CB 0.555 32.272 31.700 0.027 0.000 0.782 445 E N -0.910 119.300 120.200 0.017 0.000 2.465 445 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 445 E C 0.296 176.879 176.600 -0.028 0.000 1.053 445 E CA -0.346 56.048 56.400 -0.010 0.000 0.869 445 E CB -1.086 28.599 29.700 -0.025 0.000 0.977 445 E HN 0.077 nan 8.360 nan 0.000 0.483 446 N N 1.750 120.442 118.700 -0.013 0.000 2.714 446 N HA -0.202 4.538 4.740 -0.000 0.000 0.253 446 N C 0.427 175.873 175.510 -0.106 0.000 1.024 446 N CA 0.239 53.267 53.050 -0.037 0.000 0.726 446 N CB -0.463 38.002 38.487 -0.037 0.000 0.908 446 N HN 0.071 nan 8.380 nan 0.000 0.542 447 R N -0.629 119.770 120.500 -0.168 0.000 2.236 447 R HA 0.069 4.409 4.340 -0.000 0.000 0.208 447 R C 0.133 176.090 176.300 -0.571 0.000 1.036 447 R CA 0.721 56.598 56.100 -0.371 0.000 1.001 447 R CB 0.003 30.021 30.300 -0.469 0.000 0.896 447 R HN 0.303 nan 8.270 nan 0.000 0.464 448 F N 1.572 121.468 119.950 -0.091 0.000 2.291 448 F HA 0.305 4.832 4.527 -0.000 0.000 0.368 448 F C 1.186 176.864 175.800 -0.204 0.000 1.085 448 F CA -0.735 57.186 58.000 -0.132 0.000 1.165 448 F CB 0.746 39.660 39.000 -0.143 0.000 1.429 448 F HN -0.068 nan 8.300 nan 0.000 0.503 449 R N -0.902 119.518 120.500 -0.134 0.000 2.531 449 R HA 0.249 4.589 4.340 -0.000 0.000 0.316 449 R C -0.624 175.469 176.300 -0.346 0.000 0.955 449 R CA -0.301 55.657 56.100 -0.236 0.000 1.120 449 R CB -0.284 29.871 30.300 -0.242 0.000 1.361 449 R HN 0.417 nan 8.270 nan 0.000 0.534 450 H N 2.187 121.190 119.070 -0.112 0.000 2.820 450 H HA 0.265 4.821 4.556 -0.000 0.000 0.248 450 H C -0.679 174.282 175.328 -0.611 0.000 1.714 450 H CA -0.199 55.754 56.048 -0.157 0.000 1.334 450 H CB 0.070 29.842 29.762 0.017 0.000 1.693 450 H HN 0.494 nan 8.280 nan 0.000 0.548 451 N N -0.896 117.186 118.700 -1.030 0.000 3.405 451 N HA -0.009 4.731 4.740 -0.000 0.000 0.292 451 N C -1.829 173.146 175.510 -0.891 0.000 1.456 451 N CA -0.976 51.279 53.050 -1.326 0.000 0.861 451 N CB 0.393 38.490 38.487 -0.649 0.000 1.643 451 N HN -0.061 nan 8.380 nan 0.000 0.474 452 Y N 0.426 120.505 120.300 -0.368 0.000 2.620 452 Y HA 0.280 4.830 4.550 -0.000 0.000 0.352 452 Y C 0.974 176.851 175.900 -0.039 0.000 1.140 452 Y CA -0.906 57.162 58.100 -0.053 0.000 1.529 452 Y CB -0.936 37.585 38.460 0.102 0.000 1.321 452 Y HN 0.463 nan 8.280 nan 0.000 0.501 453 N N 3.465 122.213 118.700 0.079 0.000 2.497 453 N HA 0.140 4.880 4.740 -0.000 0.000 0.271 453 N C -1.052 174.495 175.510 0.062 0.000 1.142 453 N CA -0.371 52.672 53.050 -0.010 0.000 0.965 453 N CB 0.599 39.069 38.487 -0.029 0.000 1.077 453 N HN 0.283 nan 8.380 nan 0.000 0.462 454 I N 2.887 123.408 120.570 -0.082 0.000 2.312 454 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 454 I C 0.293 176.372 176.117 -0.064 0.000 1.008 454 I CA -0.687 60.508 61.300 -0.175 0.000 1.226 454 I CB 0.647 38.407 38.000 -0.400 0.000 1.371 454 I HN 0.494 nan 8.210 nan 0.000 0.468 455 D N 9.800 130.258 120.400 0.098 0.000 2.383 455 D HA 0.155 4.795 4.640 -0.000 0.000 0.252 455 D C -1.553 174.791 176.300 0.073 0.000 1.166 455 D CA -1.649 52.414 54.000 0.104 0.000 0.879 455 D CB 1.897 42.806 40.800 0.180 0.000 1.164 455 D HN 0.245 nan 8.370 nan 0.000 0.462 456 P HA -0.020 nan 4.420 nan 0.000 0.222 456 P C -0.491 176.849 177.300 0.067 0.000 1.153 456 P CA 0.584 63.716 63.100 0.054 0.000 0.798 456 P CB 0.465 32.196 31.700 0.052 0.000 0.796 457 E N 0.000 120.242 120.200 0.069 0.000 2.725 457 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 457 E CA 0.000 56.439 56.400 0.066 0.000 0.976 457 E CB 0.000 29.743 29.700 0.072 0.000 0.812 457 E HN 0.000 nan 8.360 nan 0.000 0.440