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 1m7s_1_B DATA FIRST_RESID 28 DATA SEQUENCE DTLTRDNGAV VGDNQNSQTA GAQGPVLLQD VQLLQKLQRF DRERIPERVV DATA SEQUENCE HARGTGVKGE FTASADISDL SKATVFKSGE KTPVFVRFSS VVHGNHSPET DATA SEQUENCE LRDPHGFATK FYTADGNWDL VGNNFPTFFI RDAIKFPDMV HAFKPDPRTN DATA SEQUENCE LDNDSRRFDF FSHVPEATRT LTLLYSNEGT PAGYRFMDGN GVHAYKLVNA DATA SEQUENCE KGEVHYVKFH WKSLQGIKNL DPKEVAQVQS KDYSHLTNDL VGAIKKGDFP DATA SEQUENCE KWDLYVQVLK PEELAKFDFD PLDATKIWPD VPEKKIGQMV LNKNVDNFFQ DATA SEQUENCE ETEQVAMAPA NLVPGIEPSE DRLLQGRVFS YADTQMYRLG ANGLSLPVNQ DATA SEQUENCE PKVAVNNGNQ DGALNTGHTT SGVNYEPSRL EPRPADDKAR YSELPLSGTT DATA SEQUENCE QQAKITREQN FKQAGDLYRS YSAKEKTDLV QKFGESLADT LTESKNIMLS DATA SEQUENCE YLYKEDPNYG TRVAEVAKGD LSKVKSLAAS LKD 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.300 176.300 0.000 0.000 2.045 28 D CA 0.000 54.001 54.000 0.001 0.000 0.868 28 D CB 0.000 40.801 40.800 0.001 0.000 0.688 29 T N 0.956 115.510 114.554 -0.000 0.000 2.940 29 T HA 0.411 4.765 4.350 0.006 0.000 0.309 29 T C 0.685 175.384 174.700 -0.001 0.000 1.056 29 T CA -0.123 61.977 62.100 -0.001 0.000 1.137 29 T CB 0.580 69.447 68.868 -0.001 0.000 0.976 29 T HN 0.710 nan 8.240 nan 0.000 0.547 30 L N 4.345 125.567 121.223 -0.001 0.000 2.453 30 L HA 0.401 4.744 4.340 0.006 0.000 0.272 30 L C 0.714 177.583 176.870 -0.001 0.000 1.182 30 L CA 0.522 55.361 54.840 -0.001 0.000 0.858 30 L CB 0.314 42.371 42.059 -0.003 0.000 1.120 30 L HN 0.926 nan 8.230 nan 0.000 0.474 31 T N 2.590 117.144 114.554 -0.001 0.000 2.888 31 T HA 0.647 5.001 4.350 0.006 0.000 0.288 31 T C 0.182 174.881 174.700 -0.000 0.000 1.063 31 T CA -1.046 61.053 62.100 -0.001 0.000 1.010 31 T CB 1.235 70.103 68.868 -0.000 0.000 1.214 31 T HN 0.638 nan 8.240 nan 0.000 0.533 32 R N -0.046 120.454 120.500 -0.000 0.000 2.541 32 R HA 0.349 4.693 4.340 0.006 0.000 0.254 32 R C 0.406 176.706 176.300 0.001 0.000 1.130 32 R CA -0.812 55.288 56.100 0.001 0.000 1.152 32 R CB 0.267 30.567 30.300 0.000 0.000 1.222 32 R HN 0.681 nan 8.270 nan 0.000 0.579 33 D N 0.856 121.257 120.400 0.002 0.000 2.312 33 D HA -0.111 4.533 4.640 0.006 0.000 0.211 33 D C 1.126 177.427 176.300 0.001 0.000 0.964 33 D CA 0.949 54.950 54.000 0.002 0.000 0.877 33 D CB -0.081 40.721 40.800 0.003 0.000 0.924 33 D HN 0.458 nan 8.370 nan 0.000 0.515 34 N N -0.143 118.557 118.700 0.000 0.000 2.398 34 N HA 0.009 4.753 4.740 0.006 0.000 0.188 34 N C 1.395 176.904 175.510 -0.002 0.000 1.122 34 N CA 0.937 53.986 53.050 -0.001 0.000 0.866 34 N CB 0.312 38.799 38.487 -0.001 0.000 0.970 34 N HN 0.154 nan 8.380 nan 0.000 0.462 35 G N -1.000 107.799 108.800 -0.001 0.000 2.195 35 G HA2 -0.209 3.755 3.960 0.006 0.000 0.246 35 G HA3 -0.209 3.755 3.960 0.006 0.000 0.246 35 G C 0.209 175.108 174.900 -0.002 0.000 0.984 35 G CA 0.130 45.229 45.100 -0.002 0.000 0.633 35 G HN 0.811 nan 8.290 nan 0.000 0.525 36 A N 0.652 123.471 122.820 -0.001 0.000 2.401 36 A HA 0.681 5.005 4.320 0.006 0.000 0.259 36 A C 1.055 178.638 177.584 -0.002 0.000 1.103 36 A CA 0.353 52.389 52.037 -0.002 0.000 0.789 36 A CB 0.500 19.499 19.000 -0.002 0.000 1.035 36 A HN 1.869 nan 8.150 nan 0.000 0.491 37 V N 1.825 121.738 119.914 -0.002 0.000 2.740 37 V HA 0.407 4.530 4.120 0.006 0.000 0.303 37 V C 0.410 176.503 176.094 -0.003 0.000 1.054 37 V CA -0.621 61.677 62.300 -0.002 0.000 1.106 37 V CB 0.488 32.310 31.823 -0.002 0.000 0.957 37 V HN 0.540 nan 8.190 nan 0.000 0.486 38 V N 4.650 124.562 119.914 -0.003 0.000 2.509 38 V HA 0.514 4.638 4.120 0.006 0.000 0.284 38 V C 1.424 177.515 176.094 -0.005 0.000 1.047 38 V CA 0.739 63.037 62.300 -0.004 0.000 0.952 38 V CB 0.953 32.773 31.823 -0.005 0.000 0.988 38 V HN 1.143 nan 8.190 nan 0.000 0.469 39 G N 2.365 111.162 108.800 -0.005 0.000 2.492 39 G HA2 0.020 3.984 3.960 0.006 0.000 0.214 39 G HA3 0.020 3.984 3.960 0.006 0.000 0.214 39 G C 0.186 175.082 174.900 -0.006 0.000 1.147 39 G CA 0.394 45.491 45.100 -0.005 0.000 0.809 39 G HN 0.645 nan 8.290 nan 0.000 0.533 40 D N -0.959 119.437 120.400 -0.007 0.000 2.616 40 D HA 0.135 4.779 4.640 0.006 0.000 0.238 40 D C -0.542 175.751 176.300 -0.012 0.000 1.354 40 D CA -0.645 53.349 54.000 -0.009 0.000 0.970 40 D CB 1.041 41.836 40.800 -0.009 0.000 1.369 40 D HN -0.093 nan 8.370 nan 0.000 0.585 41 N N 1.855 120.547 118.700 -0.013 0.000 2.270 41 N HA 0.013 4.757 4.740 0.006 0.000 0.198 41 N C 0.698 176.196 175.510 -0.021 0.000 1.117 41 N CA 0.421 53.461 53.050 -0.017 0.000 0.845 41 N CB 0.443 38.921 38.487 -0.015 0.000 0.980 41 N HN 0.305 nan 8.380 nan 0.000 0.486 42 Q N -0.943 118.846 119.800 -0.018 0.000 2.378 42 Q HA 0.263 4.607 4.340 0.006 0.000 0.229 42 Q C -0.465 175.522 176.000 -0.021 0.000 0.882 42 Q CA 0.449 56.239 55.803 -0.020 0.000 0.936 42 Q CB 0.436 29.164 28.738 -0.017 0.000 1.092 42 Q HN 0.243 nan 8.270 nan 0.000 0.535 43 N N 0.574 119.263 118.700 -0.018 0.000 2.296 43 N HA 0.293 5.036 4.740 0.006 0.000 0.294 43 N C -0.865 174.635 175.510 -0.017 0.000 1.033 43 N CA -0.159 52.881 53.050 -0.017 0.000 0.839 43 N CB 2.065 40.544 38.487 -0.013 0.000 1.395 43 N HN -0.146 nan 8.380 nan 0.000 0.479 44 S N 0.680 116.369 115.700 -0.017 0.000 2.593 44 S HA 0.043 4.516 4.470 0.006 0.000 0.269 44 S C 0.416 175.009 174.600 -0.011 0.000 1.334 44 S CA -0.394 57.797 58.200 -0.015 0.000 1.015 44 S CB 0.844 64.034 63.200 -0.016 0.000 0.912 44 S HN 0.472 nan 8.310 nan 0.000 0.541 45 Q N 1.553 121.347 119.800 -0.009 0.000 2.295 45 Q HA 0.307 4.651 4.340 0.006 0.000 0.259 45 Q C -0.266 175.730 176.000 -0.007 0.000 0.976 45 Q CA -0.260 55.539 55.803 -0.007 0.000 0.923 45 Q CB 0.384 29.119 28.738 -0.006 0.000 1.185 45 Q HN 0.784 nan 8.270 nan 0.000 0.410 46 T N -0.211 114.339 114.554 -0.006 0.000 2.930 46 T HA 0.720 5.074 4.350 0.006 0.000 0.290 46 T C -0.487 174.210 174.700 -0.004 0.000 1.052 46 T CA -0.828 61.268 62.100 -0.005 0.000 1.017 46 T CB 1.680 70.544 68.868 -0.006 0.000 1.137 46 T HN 0.540 nan 8.240 nan 0.000 0.511 47 A N 1.243 124.060 122.820 -0.004 0.000 2.922 47 A HA 0.714 5.038 4.320 0.006 0.000 0.298 47 A C 1.165 178.747 177.584 -0.003 0.000 1.588 47 A CA 0.151 52.187 52.037 -0.003 0.000 1.288 47 A CB -1.546 17.453 19.000 -0.002 0.000 1.130 47 A HN 2.168 nan 8.150 nan 0.000 0.557 48 G N 0.147 108.945 108.800 -0.003 0.000 2.781 48 G HA2 0.231 4.195 3.960 0.006 0.000 0.683 48 G HA3 0.231 4.195 3.960 0.006 0.000 0.683 48 G C 0.888 175.785 174.900 -0.004 0.000 1.390 48 G CA -0.301 44.797 45.100 -0.003 0.000 0.850 48 G HN 1.778 nan 8.290 nan 0.000 0.557 49 A N -0.501 122.316 122.820 -0.004 0.000 1.978 49 A HA 0.040 4.363 4.320 0.006 0.000 0.220 49 A C 2.070 179.651 177.584 -0.005 0.000 1.170 49 A CA 2.610 54.644 52.037 -0.004 0.000 0.636 49 A CB -0.173 18.824 19.000 -0.004 0.000 0.810 49 A HN 0.851 nan 8.150 nan 0.000 0.448 50 Q N -0.829 118.969 119.800 -0.004 0.000 2.198 50 Q HA 0.329 4.673 4.340 0.006 0.000 0.209 50 Q C 0.642 176.640 176.000 -0.004 0.000 0.848 50 Q CA 0.410 56.211 55.803 -0.004 0.000 0.974 50 Q CB 0.840 29.576 28.738 -0.003 0.000 1.115 50 Q HN 0.572 nan 8.270 nan 0.000 0.494 51 G N 0.699 109.497 108.800 -0.004 0.000 2.511 51 G HA2 0.548 4.512 3.960 0.006 0.000 0.316 51 G HA3 0.548 4.512 3.960 0.006 0.000 0.316 51 G C -2.458 172.440 174.900 -0.004 0.000 1.210 51 G CA -1.330 43.768 45.100 -0.003 0.000 0.969 51 G HN -0.032 nan 8.290 nan 0.000 0.492 52 P HA 0.210 nan 4.420 nan 0.000 0.272 52 P C -0.089 177.209 177.300 -0.004 0.000 1.240 52 P CA -0.372 62.726 63.100 -0.003 0.000 0.791 52 P CB 0.881 32.580 31.700 -0.002 0.000 0.978 53 V N 1.635 121.547 119.914 -0.004 0.000 2.732 53 V HA 0.113 4.237 4.120 0.006 0.000 0.297 53 V C 0.821 176.913 176.094 -0.003 0.000 1.060 53 V CA -0.404 61.894 62.300 -0.005 0.000 1.038 53 V CB 0.455 32.275 31.823 -0.006 0.000 1.003 53 V HN 0.309 nan 8.190 nan 0.000 0.481 54 L N 3.958 125.179 121.223 -0.003 0.000 2.334 54 L HA 0.239 4.583 4.340 0.006 0.000 0.277 54 L C 1.098 177.967 176.870 -0.001 0.000 1.075 54 L CA -0.504 54.335 54.840 -0.002 0.000 0.804 54 L CB 1.111 43.169 42.059 -0.002 0.000 1.174 54 L HN 0.581 nan 8.230 nan 0.000 0.438 55 L N 2.864 124.087 121.223 0.000 0.000 2.191 55 L HA -0.201 4.143 4.340 0.006 0.000 0.212 55 L C 2.308 179.178 176.870 0.001 0.000 1.103 55 L CA 1.654 56.495 54.840 0.001 0.000 0.769 55 L CB -0.515 41.545 42.059 0.002 0.000 0.908 55 L HN 0.816 nan 8.230 nan 0.000 0.438 56 Q N -1.469 118.332 119.800 0.000 0.000 2.482 56 Q HA -0.082 4.262 4.340 0.006 0.000 0.209 56 Q C 0.177 176.176 176.000 -0.001 0.000 0.961 56 Q CA 0.321 56.124 55.803 0.000 0.000 0.945 56 Q CB -0.490 28.248 28.738 -0.000 0.000 1.012 56 Q HN 0.365 nan 8.270 nan 0.000 0.515 57 D N 1.975 122.374 120.400 -0.002 0.000 2.455 57 D HA -0.011 4.633 4.640 0.006 0.000 0.234 57 D C 1.296 177.595 176.300 -0.002 0.000 1.224 57 D CA -0.128 53.870 54.000 -0.003 0.000 0.999 57 D CB 1.229 42.026 40.800 -0.005 0.000 1.072 57 D HN 0.202 nan 8.370 nan 0.000 0.514 58 V N 2.093 122.007 119.914 -0.001 0.000 2.594 58 V HA -0.241 3.883 4.120 0.006 0.000 0.253 58 V C 2.127 178.221 176.094 0.000 0.000 1.069 58 V CA 1.541 63.842 62.300 0.001 0.000 1.082 58 V CB -0.721 31.102 31.823 0.001 0.000 0.680 58 V HN 0.358 nan 8.190 nan 0.000 0.469 59 Q N 0.773 120.571 119.800 -0.003 0.000 2.016 59 Q HA -0.157 4.187 4.340 0.006 0.000 0.200 59 Q C 2.010 178.007 176.000 -0.006 0.000 0.978 59 Q CA 2.402 58.202 55.803 -0.004 0.000 0.833 59 Q CB -0.759 27.975 28.738 -0.007 0.000 0.895 59 Q HN 0.618 nan 8.270 nan 0.000 0.427 60 L N -0.217 121.001 121.223 -0.009 0.000 1.990 60 L HA -0.181 4.162 4.340 0.006 0.000 0.213 60 L C 2.044 178.912 176.870 -0.004 0.000 1.072 60 L CA 1.833 56.666 54.840 -0.012 0.000 0.755 60 L CB -0.870 41.182 42.059 -0.012 0.000 0.889 60 L HN 0.364 nan 8.230 nan 0.000 0.432 61 L N -0.550 120.674 121.223 0.002 0.000 2.046 61 L HA -0.241 4.103 4.340 0.006 0.000 0.208 61 L C 2.621 179.500 176.870 0.015 0.000 1.077 61 L CA 2.197 57.042 54.840 0.009 0.000 0.747 61 L CB -1.300 40.764 42.059 0.008 0.000 0.896 61 L HN 0.604 nan 8.230 nan 0.000 0.432 62 Q N 0.048 119.855 119.800 0.012 0.000 2.119 62 Q HA -0.202 4.142 4.340 0.006 0.000 0.201 62 Q C 2.185 178.200 176.000 0.025 0.000 0.972 62 Q CA 1.373 57.186 55.803 0.016 0.000 0.847 62 Q CB 0.188 28.933 28.738 0.010 0.000 0.903 62 Q HN 0.371 nan 8.270 nan 0.000 0.433 63 K N 0.060 120.470 120.400 0.018 0.000 2.057 63 K HA -0.109 4.215 4.320 0.006 0.000 0.207 63 K C 2.100 178.735 176.600 0.059 0.000 1.049 63 K CA 1.264 57.566 56.287 0.024 0.000 0.931 63 K CB -0.042 32.453 32.500 -0.009 0.000 0.714 63 K HN 0.257 nan 8.250 nan 0.000 0.440 64 L N 0.831 122.082 121.223 0.047 0.000 2.109 64 L HA -0.179 4.165 4.340 0.006 0.000 0.207 64 L C 2.521 179.468 176.870 0.129 0.000 1.086 64 L CA 1.092 55.988 54.840 0.094 0.000 0.760 64 L CB -0.342 41.749 42.059 0.053 0.000 0.910 64 L HN 0.252 nan 8.230 nan 0.000 0.437 65 Q N -0.403 119.442 119.800 0.074 0.000 2.079 65 Q HA -0.150 4.193 4.340 0.006 0.000 0.200 65 Q C 2.426 178.456 176.000 0.050 0.000 0.974 65 Q CA 1.039 56.875 55.803 0.054 0.000 0.840 65 Q CB 0.002 28.759 28.738 0.031 0.000 0.898 65 Q HN 0.394 nan 8.270 nan 0.000 0.430 66 R N 0.212 120.746 120.500 0.058 0.000 2.070 66 R HA -0.113 4.231 4.340 0.006 0.000 0.233 66 R C 2.078 178.408 176.300 0.051 0.000 1.137 66 R CA 1.010 57.133 56.100 0.039 0.000 0.945 66 R CB -1.034 29.288 30.300 0.038 0.000 0.845 66 R HN 0.267 nan 8.270 nan 0.000 0.430 67 F N 2.807 122.735 119.950 -0.037 0.000 2.120 67 F HA -0.221 4.310 4.527 0.006 0.000 0.300 67 F C 1.485 177.264 175.800 -0.035 0.000 1.095 67 F CA 1.730 59.707 58.000 -0.039 0.000 1.249 67 F CB -0.162 38.822 39.000 -0.027 0.000 0.995 67 F HN -0.009 nan 8.300 nan 0.000 0.480 68 D N 0.066 120.461 120.400 -0.009 0.000 2.309 68 D HA -0.101 4.543 4.640 0.006 0.000 0.212 68 D C 1.455 177.671 176.300 -0.139 0.000 0.968 68 D CA 1.006 54.955 54.000 -0.086 0.000 0.882 68 D CB -0.229 40.594 40.800 0.038 0.000 0.918 68 D HN 0.422 nan 8.370 nan 0.000 0.503 69 R N 0.145 120.568 120.500 -0.128 0.000 2.652 69 R HA 0.208 4.551 4.340 0.006 0.000 0.372 69 R C 1.100 177.309 176.300 -0.152 0.000 1.104 69 R CA -0.104 55.929 56.100 -0.111 0.000 1.072 69 R CB 0.557 30.821 30.300 -0.060 0.000 1.367 69 R HN 0.126 nan 8.270 nan 0.000 0.577 70 E N 0.706 120.761 120.200 -0.242 0.000 2.152 70 E HA -0.023 4.331 4.350 0.006 0.000 0.192 70 E C 0.310 176.756 176.600 -0.257 0.000 0.983 70 E CA 0.737 56.963 56.400 -0.289 0.000 0.818 70 E CB 0.336 29.826 29.700 -0.351 0.000 0.758 70 E HN 0.081 nan 8.360 nan 0.000 0.467 71 R N 1.218 121.618 120.500 -0.167 0.000 2.410 71 R HA 0.367 4.711 4.340 0.006 0.000 0.288 71 R C 0.453 176.755 176.300 0.003 0.000 1.051 71 R CA -0.257 55.809 56.100 -0.058 0.000 1.021 71 R CB 0.710 30.975 30.300 -0.057 0.000 1.032 71 R HN 0.148 nan 8.270 nan 0.000 0.481 72 I N -1.101 119.521 120.570 0.087 0.000 3.023 72 I HA 0.609 4.783 4.170 0.006 0.000 0.312 72 I C -2.180 173.944 176.117 0.012 0.000 1.056 72 I CA -2.967 58.356 61.300 0.038 0.000 1.033 72 I CB 1.575 39.620 38.000 0.075 0.000 1.233 72 I HN 0.237 nan 8.210 nan 0.000 0.462 73 P HA 0.114 nan 4.420 nan 0.000 0.268 73 P C -0.978 176.329 177.300 0.012 0.000 1.204 73 P CA -0.118 62.980 63.100 -0.003 0.000 0.768 73 P CB 0.415 32.105 31.700 -0.016 0.000 0.842 74 E N 2.639 122.860 120.200 0.035 0.000 2.371 74 E HA 0.206 4.560 4.350 0.006 0.000 0.257 74 E C -0.433 176.187 176.600 0.033 0.000 1.134 74 E CA -0.855 55.564 56.400 0.032 0.000 0.919 74 E CB 0.588 30.311 29.700 0.038 0.000 1.025 74 E HN 0.260 nan 8.360 nan 0.000 0.438 75 R N 0.510 121.024 120.500 0.024 0.000 2.640 75 R HA -0.038 4.306 4.340 0.006 0.000 0.270 75 R C 1.050 177.377 176.300 0.046 0.000 1.024 75 R CA 0.064 56.179 56.100 0.025 0.000 1.085 75 R CB 0.583 30.898 30.300 0.024 0.000 0.963 75 R HN 0.533 nan 8.270 nan 0.000 0.426 76 V N 3.604 123.545 119.914 0.046 0.000 2.407 76 V HA -0.112 4.012 4.120 0.006 0.000 0.248 76 V C 0.548 176.681 176.094 0.065 0.000 1.055 76 V CA 1.783 64.117 62.300 0.057 0.000 1.049 76 V CB 0.246 32.104 31.823 0.057 0.000 0.662 76 V HN 0.542 nan 8.190 nan 0.000 0.455 77 V N -4.134 115.841 119.914 0.102 0.000 3.040 77 V HA 0.584 4.708 4.120 0.006 0.000 0.312 77 V C 0.187 176.420 176.094 0.233 0.000 1.115 77 V CA -0.690 61.700 62.300 0.151 0.000 0.998 77 V CB 1.438 33.427 31.823 0.276 0.000 1.042 77 V HN 0.494 nan 8.190 nan 0.000 0.433 78 H N 0.551 119.636 119.070 0.025 0.000 2.770 78 H HA -0.221 4.340 4.556 0.007 0.000 0.309 78 H C 1.493 176.840 175.328 0.031 0.000 1.206 78 H CA 0.697 56.762 56.048 0.029 0.000 1.147 78 H CB -1.084 28.696 29.762 0.030 0.000 1.422 78 H HN 1.175 nan 8.280 nan 0.000 0.420 79 A N 0.796 123.679 122.820 0.106 0.000 1.930 79 A HA -0.107 4.217 4.320 0.006 0.000 0.217 79 A C 1.721 179.370 177.584 0.108 0.000 1.175 79 A CA 1.240 53.329 52.037 0.087 0.000 0.627 79 A CB -0.044 18.994 19.000 0.064 0.000 0.815 79 A HN 0.274 nan 8.150 nan 0.000 0.443 80 R N 0.390 120.964 120.500 0.123 0.000 2.220 80 R HA 0.491 4.835 4.340 0.006 0.000 0.340 80 R C 0.011 176.432 176.300 0.202 0.000 1.076 80 R CA 0.709 56.908 56.100 0.164 0.000 0.920 80 R CB 0.029 30.428 30.300 0.165 0.000 1.062 80 R HN 0.324 nan 8.270 nan 0.000 0.469 81 G N 0.939 109.878 108.800 0.233 0.000 2.708 81 G HA2 0.580 4.544 3.960 0.006 0.000 0.289 81 G HA3 0.580 4.544 3.960 0.006 0.000 0.289 81 G C -1.461 173.607 174.900 0.279 0.000 1.416 81 G CA -0.574 44.651 45.100 0.209 0.000 0.829 81 G HN 0.423 nan 8.290 nan 0.000 0.480 82 T N -0.544 114.126 114.554 0.193 0.000 2.921 82 T HA 0.670 5.023 4.350 0.006 0.000 0.297 82 T C -0.080 174.643 174.700 0.038 0.000 1.013 82 T CA -0.300 61.930 62.100 0.217 0.000 0.990 82 T CB 1.819 70.837 68.868 0.251 0.000 1.023 82 T HN 0.981 nan 8.240 nan 0.000 0.447 83 G N 1.338 110.132 108.800 -0.010 0.000 2.452 83 G HA2 0.739 4.703 3.960 0.006 0.000 0.324 83 G HA3 0.739 4.703 3.960 0.006 0.000 0.324 83 G C -0.558 174.100 174.900 -0.403 0.000 1.214 83 G CA -0.813 44.139 45.100 -0.246 0.000 0.947 83 G HN 0.915 nan 8.290 nan 0.000 0.478 84 V N -0.969 118.530 119.914 -0.692 0.000 3.130 84 V HA 0.770 4.894 4.120 0.006 0.000 0.310 84 V C -0.581 175.076 176.094 -0.729 0.000 1.158 84 V CA -1.481 60.512 62.300 -0.512 0.000 1.029 84 V CB 1.951 33.642 31.823 -0.220 0.000 1.057 84 V HN 0.699 nan 8.190 nan 0.000 0.436 85 K N 0.241 120.380 120.400 -0.435 0.000 2.221 85 K HA 0.922 5.246 4.320 0.006 0.000 0.243 85 K C -0.006 176.456 176.600 -0.229 0.000 0.968 85 K CA -0.088 56.006 56.287 -0.323 0.000 0.846 85 K CB 2.131 34.535 32.500 -0.161 0.000 1.141 85 K HN 1.278 nan 8.250 nan 0.000 0.434 86 G N 0.326 109.026 108.800 -0.166 0.000 2.510 86 G HA2 0.287 4.251 3.960 0.006 0.000 0.277 86 G HA3 0.287 4.251 3.960 0.006 0.000 0.277 86 G C -1.591 173.272 174.900 -0.062 0.000 1.223 86 G CA -0.434 44.585 45.100 -0.134 0.000 0.887 86 G HN 0.386 nan 8.290 nan 0.000 0.485 87 E N -0.929 119.262 120.200 -0.015 0.000 2.356 87 E HA 0.520 4.874 4.350 0.006 0.000 0.275 87 E C -1.987 174.710 176.600 0.160 0.000 0.904 87 E CA -0.566 55.871 56.400 0.061 0.000 0.757 87 E CB 3.068 32.790 29.700 0.036 0.000 1.232 87 E HN 0.385 nan 8.360 nan 0.000 0.442 88 F N 0.891 120.898 119.950 0.094 0.000 2.508 88 F HA 0.509 5.040 4.527 0.006 0.000 0.325 88 F C -0.734 175.181 175.800 0.192 0.000 1.090 88 F CA -0.181 57.939 58.000 0.200 0.000 0.945 88 F CB 1.746 40.968 39.000 0.370 0.000 1.156 88 F HN 0.126 nan 8.300 nan 0.000 0.463 89 T N 5.520 119.652 114.554 -0.703 0.000 2.847 89 T HA 0.672 5.026 4.350 0.006 0.000 0.291 89 T C -0.418 173.819 174.700 -0.773 0.000 0.998 89 T CA -0.500 61.306 62.100 -0.489 0.000 0.967 89 T CB 1.168 69.908 68.868 -0.214 0.000 0.954 89 T HN 0.838 nan 8.240 nan 0.000 0.441 90 A N 2.253 124.818 122.820 -0.424 0.000 2.425 90 A HA 0.579 4.903 4.320 0.006 0.000 0.249 90 A C 1.065 178.607 177.584 -0.070 0.000 1.084 90 A CA -0.298 51.664 52.037 -0.126 0.000 0.781 90 A CB 0.186 19.293 19.000 0.178 0.000 1.019 90 A HN 1.009 nan 8.150 nan 0.000 0.490 91 S N 0.048 115.734 115.700 -0.024 0.000 2.960 91 S HA 0.579 5.053 4.470 0.006 0.000 0.256 91 S C 0.172 174.768 174.600 -0.007 0.000 1.017 91 S CA 0.386 58.571 58.200 -0.026 0.000 1.144 91 S CB -0.266 62.905 63.200 -0.049 0.000 1.109 91 S HN 1.746 nan 8.310 nan 0.000 0.638 92 A N 0.944 123.771 122.820 0.013 0.000 2.430 92 A HA 0.723 5.047 4.320 0.006 0.000 0.300 92 A C -1.429 176.162 177.584 0.011 0.000 1.124 92 A CA -0.492 51.544 52.037 -0.001 0.000 0.766 92 A CB 1.258 20.244 19.000 -0.024 0.000 1.328 92 A HN 0.190 nan 8.150 nan 0.000 0.424 93 D N 1.544 121.943 120.400 -0.002 0.000 2.428 93 D HA 0.335 4.978 4.640 0.006 0.000 0.221 93 D C 0.205 176.493 176.300 -0.020 0.000 1.123 93 D CA -0.139 53.862 54.000 0.002 0.000 0.869 93 D CB 0.256 41.056 40.800 -0.000 0.000 1.032 93 D HN 0.484 nan 8.370 nan 0.000 0.506 94 I N 1.091 121.648 120.570 -0.022 0.000 3.654 94 I HA 0.176 4.349 4.170 0.006 0.000 0.337 94 I C 1.115 177.202 176.117 -0.051 0.000 1.568 94 I CA -0.511 60.745 61.300 -0.074 0.000 1.115 94 I CB 0.245 38.151 38.000 -0.157 0.000 1.300 94 I HN 0.091 nan 8.210 nan 0.000 0.471 95 S N 0.097 115.789 115.700 -0.014 0.000 2.507 95 S HA -0.159 4.315 4.470 0.006 0.000 0.235 95 S C 1.313 175.909 174.600 -0.007 0.000 0.988 95 S CA 0.976 59.177 58.200 0.002 0.000 0.944 95 S CB -0.586 62.620 63.200 0.011 0.000 0.762 95 S HN 0.722 nan 8.310 nan 0.000 0.526 96 D N 1.692 122.075 120.400 -0.029 0.000 2.234 96 D HA -0.017 4.626 4.640 0.006 0.000 0.205 96 D C 1.824 178.100 176.300 -0.041 0.000 0.962 96 D CA 0.645 54.630 54.000 -0.026 0.000 0.855 96 D CB -0.182 40.588 40.800 -0.050 0.000 0.951 96 D HN 0.480 nan 8.370 nan 0.000 0.500 97 L N -0.529 120.633 121.223 -0.102 0.000 2.362 97 L HA 0.152 4.496 4.340 0.006 0.000 0.204 97 L C 1.088 177.945 176.870 -0.020 0.000 1.060 97 L CA 0.085 54.850 54.840 -0.125 0.000 0.827 97 L CB 0.368 42.266 42.059 -0.268 0.000 1.027 97 L HN -0.110 nan 8.230 nan 0.000 0.474 98 S N -0.358 115.330 115.700 -0.021 0.000 2.540 98 S HA 0.265 4.739 4.470 0.006 0.000 0.275 98 S C 0.191 174.823 174.600 0.053 0.000 1.123 98 S CA -0.803 57.417 58.200 0.033 0.000 0.907 98 S CB 1.503 64.758 63.200 0.091 0.000 1.081 98 S HN 0.306 nan 8.310 nan 0.000 0.476 99 K N 2.354 122.771 120.400 0.028 0.000 2.487 99 K HA 0.377 4.701 4.320 0.006 0.000 0.192 99 K C 0.634 177.233 176.600 -0.002 0.000 1.027 99 K CA 0.079 56.374 56.287 0.014 0.000 1.054 99 K CB -0.041 32.457 32.500 -0.003 0.000 0.824 99 K HN 0.488 nan 8.250 nan 0.000 0.510 100 A N 1.713 124.528 122.820 -0.009 0.000 2.524 100 A HA 0.064 4.387 4.320 0.006 0.000 0.250 100 A C 0.935 178.450 177.584 -0.115 0.000 1.078 100 A CA -0.082 51.876 52.037 -0.132 0.000 0.761 100 A CB 0.173 18.970 19.000 -0.338 0.000 1.012 100 A HN 0.327 nan 8.150 nan 0.000 0.500 101 T N 2.309 116.793 114.554 -0.117 0.000 2.849 101 T HA -0.154 4.200 4.350 0.006 0.000 0.270 101 T C 1.831 176.482 174.700 -0.081 0.000 1.066 101 T CA 1.483 63.545 62.100 -0.064 0.000 1.130 101 T CB -0.262 68.580 68.868 -0.044 0.000 0.864 101 T HN 0.583 nan 8.240 nan 0.000 0.481 102 V N 0.555 120.322 119.914 -0.245 0.000 2.490 102 V HA -0.083 4.041 4.120 0.006 0.000 0.250 102 V C 1.498 177.536 176.094 -0.094 0.000 1.061 102 V CA 1.585 63.728 62.300 -0.261 0.000 1.064 102 V CB -0.541 30.924 31.823 -0.598 0.000 0.670 102 V HN 0.637 nan 8.190 nan 0.000 0.461 103 F N -0.117 119.853 119.950 0.033 0.000 2.765 103 F HA 0.266 4.797 4.527 0.006 0.000 0.302 103 F C 1.232 177.068 175.800 0.061 0.000 1.111 103 F CA -0.176 57.871 58.000 0.080 0.000 1.359 103 F CB 0.113 39.108 39.000 -0.008 0.000 1.097 103 F HN -0.017 nan 8.300 nan 0.000 0.577 104 K N 1.808 122.317 120.400 0.182 0.000 2.416 104 K HA 0.022 4.346 4.320 0.006 0.000 0.283 104 K C 0.457 177.116 176.600 0.098 0.000 1.037 104 K CA -0.049 56.304 56.287 0.111 0.000 0.995 104 K CB 0.619 33.159 32.500 0.066 0.000 0.938 104 K HN -0.046 nan 8.250 nan 0.000 0.475 105 S N 3.070 118.813 115.700 0.072 0.000 2.626 105 S HA 0.107 4.581 4.470 0.006 0.000 0.303 105 S C 1.089 175.708 174.600 0.031 0.000 1.256 105 S CA 1.372 59.599 58.200 0.046 0.000 1.069 105 S CB -0.379 62.838 63.200 0.027 0.000 0.807 105 S HN 0.952 nan 8.310 nan 0.000 0.500 106 G N 3.282 112.091 108.800 0.015 0.000 2.199 106 G HA2 -0.253 3.711 3.960 0.006 0.000 0.254 106 G HA3 -0.253 3.711 3.960 0.006 0.000 0.254 106 G C -0.101 174.809 174.900 0.018 0.000 0.982 106 G CA 0.349 45.453 45.100 0.007 0.000 0.632 106 G HN 0.796 nan 8.290 nan 0.000 0.529 107 E N 1.359 121.585 120.200 0.042 0.000 2.324 107 E HA 0.521 4.875 4.350 0.006 0.000 0.271 107 E C 0.301 176.946 176.600 0.075 0.000 1.028 107 E CA 0.061 56.501 56.400 0.066 0.000 0.890 107 E CB 0.268 30.025 29.700 0.096 0.000 1.004 107 E HN 0.351 nan 8.360 nan 0.000 0.431 108 K N 3.329 123.772 120.400 0.073 0.000 2.265 108 K HA 0.382 4.705 4.320 0.006 0.000 0.267 108 K C -1.005 175.680 176.600 0.141 0.000 0.994 108 K CA -0.580 55.760 56.287 0.087 0.000 0.860 108 K CB 1.755 34.284 32.500 0.047 0.000 1.099 108 K HN 0.451 nan 8.250 nan 0.000 0.448 109 T N 4.524 119.216 114.554 0.230 0.000 2.848 109 T HA 0.339 4.693 4.350 0.006 0.000 0.285 109 T C -2.635 172.210 174.700 0.242 0.000 0.995 109 T CA -1.894 60.363 62.100 0.261 0.000 0.970 109 T CB 1.725 70.822 68.868 0.382 0.000 0.976 109 T HN 0.261 nan 8.240 nan 0.000 0.441 110 P HA 0.318 nan 4.420 nan 0.000 0.271 110 P C -0.721 176.723 177.300 0.240 0.000 1.218 110 P CA -0.448 62.741 63.100 0.148 0.000 0.780 110 P CB 0.533 32.268 31.700 0.058 0.000 0.901 111 V N -0.363 119.628 119.914 0.128 0.000 3.040 111 V HA 0.692 4.815 4.120 0.006 0.000 0.312 111 V C -1.343 174.801 176.094 0.083 0.000 1.115 111 V CA -1.061 61.243 62.300 0.007 0.000 0.998 111 V CB 2.210 33.840 31.823 -0.322 0.000 1.042 111 V HN 0.358 nan 8.190 nan 0.000 0.433 112 F N 2.309 122.191 119.950 -0.114 0.000 2.477 112 F HA 0.824 5.354 4.527 0.006 0.000 0.335 112 F C -0.707 174.881 175.800 -0.355 0.000 1.130 112 F CA -0.552 57.358 58.000 -0.150 0.000 0.948 112 F CB 1.916 40.895 39.000 -0.034 0.000 1.154 112 F HN 0.534 nan 8.300 nan 0.000 0.439 113 V N 6.684 126.181 119.914 -0.696 0.000 2.495 113 V HA 0.545 4.669 4.120 0.006 0.000 0.298 113 V C -0.659 174.974 176.094 -0.768 0.000 1.031 113 V CA -0.797 61.060 62.300 -0.737 0.000 0.871 113 V CB 1.886 33.124 31.823 -0.975 0.000 0.988 113 V HN 0.729 nan 8.190 nan 0.000 0.432 114 R N 3.653 123.795 120.500 -0.596 0.000 2.439 114 R HA 0.604 4.948 4.340 0.006 0.000 0.310 114 R C -1.728 174.201 176.300 -0.619 0.000 0.955 114 R CA -0.437 55.402 56.100 -0.435 0.000 0.853 114 R CB 1.121 31.353 30.300 -0.114 0.000 1.171 114 R HN 0.510 nan 8.270 nan 0.000 0.449 115 F N 1.866 121.517 119.950 -0.499 0.000 2.432 115 F HA 0.555 5.085 4.527 0.006 0.000 0.329 115 F C 0.399 175.919 175.800 -0.467 0.000 1.076 115 F CA -0.090 57.443 58.000 -0.778 0.000 1.018 115 F CB 2.139 40.100 39.000 -1.732 0.000 1.201 115 F HN 0.634 nan 8.300 nan 0.000 0.489 116 S N -0.649 115.050 115.700 -0.001 0.000 2.611 116 S HA 0.657 5.130 4.470 0.006 0.000 0.268 116 S C -0.825 173.974 174.600 0.332 0.000 1.156 116 S CA -0.939 57.410 58.200 0.250 0.000 0.817 116 S CB 1.053 64.403 63.200 0.250 0.000 1.122 116 S HN 0.713 nan 8.310 nan 0.000 0.466 117 S N -0.005 115.813 115.700 0.198 0.000 2.666 117 S HA 0.767 5.240 4.470 0.006 0.000 0.279 117 S C 0.566 174.960 174.600 -0.343 0.000 1.149 117 S CA -0.199 57.921 58.200 -0.134 0.000 1.020 117 S CB 0.625 63.814 63.200 -0.018 0.000 1.127 117 S HN 0.900 nan 8.310 nan 0.000 0.537 118 V N -0.616 119.018 119.914 -0.468 0.000 2.840 118 V HA 0.090 4.214 4.120 0.006 0.000 0.234 118 V C 2.157 178.045 176.094 -0.344 0.000 1.159 118 V CA 0.472 62.387 62.300 -0.641 0.000 1.194 118 V CB -0.494 30.983 31.823 -0.577 0.000 0.971 118 V HN 0.700 nan 8.190 nan 0.000 0.494 119 V N -0.360 119.371 119.914 -0.306 0.000 2.535 119 V HA 0.018 4.142 4.120 0.006 0.000 0.246 119 V C 1.075 176.948 176.094 -0.368 0.000 1.045 119 V CA 1.201 63.284 62.300 -0.362 0.000 1.058 119 V CB -0.583 30.941 31.823 -0.499 0.000 0.689 119 V HN 0.555 nan 8.190 nan 0.000 0.461 120 H N -0.821 118.215 119.070 -0.056 0.000 2.517 120 H HA 0.568 5.127 4.556 0.005 0.000 0.346 120 H C 0.888 176.224 175.328 0.015 0.000 1.222 120 H CA 0.197 56.241 56.048 -0.007 0.000 1.314 120 H CB 0.283 30.054 29.762 0.015 0.000 1.609 120 H HN 0.304 nan 8.280 nan 0.000 0.571 121 G N -0.143 108.763 108.800 0.176 0.000 2.771 121 G HA2 -0.202 3.762 3.960 0.006 0.000 0.242 121 G HA3 -0.202 3.762 3.960 0.006 0.000 0.242 121 G C 0.847 175.809 174.900 0.103 0.000 1.233 121 G CA 0.120 45.287 45.100 0.112 0.000 0.858 121 G HN 0.943 nan 8.290 nan 0.000 0.591 122 N N -1.608 117.122 118.700 0.050 0.000 2.364 122 N HA -0.134 4.610 4.740 0.006 0.000 0.183 122 N C 1.249 176.747 175.510 -0.021 0.000 1.022 122 N CA 1.766 54.818 53.050 0.003 0.000 0.883 122 N CB -0.199 38.256 38.487 -0.054 0.000 0.965 122 N HN 0.696 nan 8.380 nan 0.000 0.438 123 H N -0.924 118.226 119.070 0.134 0.000 2.512 123 H HA 0.299 4.859 4.556 0.006 0.000 0.276 123 H C -0.156 175.291 175.328 0.198 0.000 1.126 123 H CA -0.537 55.614 56.048 0.173 0.000 1.060 123 H CB 0.347 30.200 29.762 0.151 0.000 1.646 123 H HN 0.260 nan 8.280 nan 0.000 0.571 124 S N 0.797 116.652 115.700 0.257 0.000 2.576 124 S HA 0.185 4.659 4.470 0.006 0.000 0.276 124 S C -2.614 172.121 174.600 0.224 0.000 1.339 124 S CA -1.598 56.710 58.200 0.179 0.000 1.039 124 S CB 1.173 64.464 63.200 0.152 0.000 0.902 124 S HN 0.014 nan 8.310 nan 0.000 0.516 125 P HA 0.098 nan 4.420 nan 0.000 0.261 125 P C 0.068 177.475 177.300 0.178 0.000 1.183 125 P CA 0.112 63.338 63.100 0.210 0.000 0.761 125 P CB 0.151 31.925 31.700 0.124 0.000 0.785 126 E N 1.086 121.396 120.200 0.184 0.000 2.516 126 E HA -0.078 4.276 4.350 0.006 0.000 0.199 126 E C 0.991 177.731 176.600 0.234 0.000 1.069 126 E CA 0.879 57.361 56.400 0.137 0.000 0.876 126 E CB -0.228 29.442 29.700 -0.049 0.000 0.843 126 E HN 0.589 nan 8.360 nan 0.000 0.530 127 T N -1.466 113.253 114.554 0.275 0.000 3.100 127 T HA 0.131 4.485 4.350 0.006 0.000 0.253 127 T C 0.936 175.727 174.700 0.152 0.000 1.118 127 T CA -0.180 62.052 62.100 0.221 0.000 1.058 127 T CB -0.013 68.900 68.868 0.075 0.000 0.953 127 T HN -0.047 nan 8.240 nan 0.000 0.515 128 L N 1.831 123.134 121.223 0.134 0.000 2.467 128 L HA 0.287 4.631 4.340 0.006 0.000 0.270 128 L C 0.985 177.938 176.870 0.139 0.000 1.205 128 L CA -0.721 54.174 54.840 0.093 0.000 0.828 128 L CB 0.376 42.446 42.059 0.018 0.000 1.101 128 L HN 0.180 nan 8.230 nan 0.000 0.479 129 R N 2.224 122.791 120.500 0.112 0.000 2.316 129 R HA 0.212 4.556 4.340 0.006 0.000 0.314 129 R C -1.276 175.042 176.300 0.031 0.000 1.069 129 R CA 0.051 56.211 56.100 0.100 0.000 0.959 129 R CB 0.425 30.765 30.300 0.067 0.000 0.987 129 R HN 0.618 nan 8.270 nan 0.000 0.446 130 D N 3.630 124.042 120.400 0.019 0.000 2.725 130 D HA 0.315 4.958 4.640 0.006 0.000 0.292 130 D C -2.853 173.284 176.300 -0.272 0.000 1.288 130 D CA -1.349 52.549 54.000 -0.170 0.000 0.784 130 D CB 2.091 42.689 40.800 -0.336 0.000 1.308 130 D HN 0.260 nan 8.370 nan 0.000 0.429 131 P HA 0.313 nan 4.420 nan 0.000 0.272 131 P C -0.880 176.007 177.300 -0.689 0.000 1.230 131 P CA 0.130 62.686 63.100 -0.908 0.000 0.788 131 P CB 0.397 31.734 31.700 -0.604 0.000 0.949 132 H N -0.964 117.981 119.070 -0.209 0.000 2.547 132 H HA 0.542 5.102 4.556 0.006 0.000 0.342 132 H C 0.670 176.110 175.328 0.187 0.000 1.048 132 H CA -0.351 55.747 56.048 0.084 0.000 1.204 132 H CB 1.019 30.932 29.762 0.251 0.000 1.493 132 H HN 0.478 nan 8.280 nan 0.000 0.511 133 G N 1.925 110.917 108.800 0.319 0.000 2.476 133 G HA2 0.315 4.279 3.960 0.006 0.000 0.269 133 G HA3 0.315 4.279 3.960 0.006 0.000 0.269 133 G C -0.928 174.104 174.900 0.221 0.000 1.195 133 G CA -0.399 44.892 45.100 0.319 0.000 0.843 133 G HN 0.661 nan 8.290 nan 0.000 0.545 134 F N 2.170 122.087 119.950 -0.055 0.000 2.872 134 F HA 0.533 5.064 4.527 0.006 0.000 0.365 134 F C 0.252 175.834 175.800 -0.363 0.000 1.296 134 F CA -1.054 56.795 58.000 -0.251 0.000 1.199 134 F CB 0.684 39.629 39.000 -0.092 0.000 1.687 134 F HN 0.654 nan 8.300 nan 0.000 0.604 135 A N 2.843 125.564 122.820 -0.165 0.000 2.290 135 A HA 0.701 5.025 4.320 0.006 0.000 0.310 135 A C -0.382 177.004 177.584 -0.329 0.000 1.202 135 A CA -0.267 51.636 52.037 -0.224 0.000 0.837 135 A CB 0.887 19.752 19.000 -0.224 0.000 1.139 135 A HN 0.493 nan 8.150 nan 0.000 0.509 136 T N 2.520 116.861 114.554 -0.355 0.000 2.812 136 T HA 0.401 4.755 4.350 0.006 0.000 0.282 136 T C -0.315 174.066 174.700 -0.532 0.000 0.990 136 T CA -0.513 61.286 62.100 -0.503 0.000 0.960 136 T CB 1.028 69.524 68.868 -0.621 0.000 0.948 136 T HN 0.639 nan 8.240 nan 0.000 0.438 137 K N 3.572 123.674 120.400 -0.496 0.000 2.263 137 K HA 0.439 4.763 4.320 0.006 0.000 0.272 137 K C -1.278 174.990 176.600 -0.554 0.000 1.033 137 K CA -0.623 55.368 56.287 -0.493 0.000 0.884 137 K CB 0.372 32.572 32.500 -0.500 0.000 1.107 137 K HN 0.375 nan 8.250 nan 0.000 0.460 138 F N 4.172 123.866 119.950 -0.426 0.000 2.404 138 F HA 0.226 4.757 4.527 0.006 0.000 0.358 138 F C -0.269 175.404 175.800 -0.212 0.000 1.120 138 F CA -0.568 57.296 58.000 -0.226 0.000 1.144 138 F CB 0.611 39.533 39.000 -0.131 0.000 1.133 138 F HN 0.439 nan 8.300 nan 0.000 0.495 139 Y N 1.635 122.004 120.300 0.116 0.000 2.667 139 Y HA 0.175 4.729 4.550 0.006 0.000 0.340 139 Y C 1.195 177.146 175.900 0.084 0.000 1.303 139 Y CA -0.892 57.250 58.100 0.070 0.000 1.769 139 Y CB -0.569 37.908 38.460 0.028 0.000 1.804 139 Y HN 0.569 nan 8.280 nan 0.000 0.451 140 T N -2.150 112.515 114.554 0.184 0.000 2.766 140 T HA 0.307 4.661 4.350 0.006 0.000 0.295 140 T C 1.432 176.181 174.700 0.081 0.000 1.024 140 T CA -0.221 61.949 62.100 0.117 0.000 1.018 140 T CB 1.370 70.257 68.868 0.031 0.000 1.002 140 T HN 0.534 nan 8.240 nan 0.000 0.532 141 A N 0.605 123.454 122.820 0.049 0.000 2.209 141 A HA 0.104 4.428 4.320 0.006 0.000 0.212 141 A C 1.498 179.088 177.584 0.010 0.000 1.158 141 A CA 0.798 52.853 52.037 0.031 0.000 0.742 141 A CB -0.432 18.581 19.000 0.022 0.000 0.790 141 A HN 0.852 nan 8.150 nan 0.000 0.472 142 D N -1.215 119.182 120.400 -0.006 0.000 2.433 142 D HA 0.392 5.036 4.640 0.006 0.000 0.211 142 D C 0.880 177.174 176.300 -0.010 0.000 1.114 142 D CA 1.217 55.204 54.000 -0.022 0.000 0.837 142 D CB 0.769 41.534 40.800 -0.058 0.000 0.984 142 D HN 0.520 nan 8.370 nan 0.000 0.505 143 G N 0.507 109.315 108.800 0.014 0.000 2.353 143 G HA2 -0.121 3.843 3.960 0.006 0.000 0.424 143 G HA3 -0.121 3.843 3.960 0.006 0.000 0.424 143 G C -1.305 173.618 174.900 0.039 0.000 1.320 143 G CA -1.069 44.046 45.100 0.025 0.000 0.995 143 G HN -0.053 nan 8.290 nan 0.000 0.580 144 N N -0.154 118.561 118.700 0.024 0.000 2.444 144 N HA 0.483 5.226 4.740 0.006 0.000 0.271 144 N C -0.983 174.553 175.510 0.043 0.000 1.069 144 N CA -0.071 52.968 53.050 -0.018 0.000 0.965 144 N CB 1.235 39.647 38.487 -0.126 0.000 1.092 144 N HN 0.614 nan 8.380 nan 0.000 0.476 145 W N 2.907 124.117 121.300 -0.151 0.000 2.475 145 W HA 0.373 5.037 4.660 0.007 0.000 0.317 145 W C -1.291 175.158 176.519 -0.116 0.000 1.046 145 W CA -0.836 56.400 57.345 -0.182 0.000 1.215 145 W CB 0.779 30.044 29.460 -0.324 0.000 1.335 145 W HN 0.339 nan 8.180 nan 0.000 0.471 146 D N 5.632 125.686 120.400 -0.576 0.000 2.256 146 D HA 0.240 4.884 4.640 0.006 0.000 0.240 146 D C -1.084 174.625 176.300 -0.985 0.000 1.062 146 D CA -0.453 53.153 54.000 -0.657 0.000 0.832 146 D CB 2.074 42.635 40.800 -0.398 0.000 1.135 146 D HN 0.339 nan 8.370 nan 0.000 0.484 147 L N 3.500 124.156 121.223 -0.945 0.000 2.297 147 L HA 0.283 4.627 4.340 0.006 0.000 0.277 147 L C -1.139 175.472 176.870 -0.432 0.000 1.040 147 L CA -0.641 53.695 54.840 -0.839 0.000 0.867 147 L CB 1.041 42.533 42.059 -0.944 0.000 1.244 147 L HN 0.105 nan 8.230 nan 0.000 0.433 148 V N 5.893 125.612 119.914 -0.325 0.000 2.304 148 V HA 0.675 4.799 4.120 0.006 0.000 0.262 148 V C 0.903 176.919 176.094 -0.130 0.000 1.061 148 V CA 0.098 62.255 62.300 -0.238 0.000 0.872 148 V CB 0.085 31.716 31.823 -0.319 0.000 1.077 148 V HN 0.841 nan 8.190 nan 0.000 0.480 149 G N 3.678 112.425 108.800 -0.088 0.000 3.075 149 G HA2 0.647 4.611 3.960 0.006 0.000 0.253 149 G HA3 0.647 4.611 3.960 0.006 0.000 0.253 149 G C -0.908 174.037 174.900 0.076 0.000 1.353 149 G CA -0.606 44.486 45.100 -0.014 0.000 1.051 149 G HN 0.491 nan 8.290 nan 0.000 0.553 150 N N -1.052 117.729 118.700 0.135 0.000 2.697 150 N HA 0.223 4.967 4.740 0.006 0.000 0.272 150 N C 0.988 176.664 175.510 0.276 0.000 1.381 150 N CA -0.666 52.512 53.050 0.214 0.000 0.797 150 N CB 1.738 40.340 38.487 0.191 0.000 1.523 150 N HN 0.498 nan 8.380 nan 0.000 0.518 151 N N 0.009 118.888 118.700 0.298 0.000 2.171 151 N HA -0.062 4.682 4.740 0.006 0.000 0.184 151 N C 0.065 175.837 175.510 0.437 0.000 1.021 151 N CA 1.067 54.353 53.050 0.393 0.000 0.854 151 N CB -0.430 38.304 38.487 0.412 0.000 0.994 151 N HN 0.306 nan 8.380 nan 0.000 0.426 152 F N 1.991 122.060 119.950 0.198 0.000 2.538 152 F HA 0.233 4.763 4.527 0.006 0.000 0.371 152 F C -1.153 174.691 175.800 0.073 0.000 1.087 152 F CA -2.551 55.516 58.000 0.112 0.000 1.250 152 F CB 0.058 39.090 39.000 0.054 0.000 1.110 152 F HN 0.041 nan 8.300 nan 0.000 0.570 153 P HA -0.004 nan 4.420 nan 0.000 0.231 153 P C 0.212 177.514 177.300 0.003 0.000 1.168 153 P CA 0.794 63.924 63.100 0.049 0.000 0.779 153 P CB 0.106 31.783 31.700 -0.039 0.000 0.844 154 T N -4.008 110.565 114.554 0.032 0.000 2.930 154 T HA 0.632 4.986 4.350 0.006 0.000 0.290 154 T C -0.956 173.804 174.700 0.100 0.000 1.052 154 T CA -0.807 61.302 62.100 0.014 0.000 1.017 154 T CB 1.677 70.509 68.868 -0.059 0.000 1.137 154 T HN -0.155 nan 8.240 nan 0.000 0.511 155 F N -0.511 119.391 119.950 -0.080 0.000 2.618 155 F HA 0.560 5.091 4.527 0.007 0.000 0.332 155 F C 0.316 176.085 175.800 -0.051 0.000 1.061 155 F CA -1.682 56.287 58.000 -0.053 0.000 0.974 155 F CB 1.687 40.771 39.000 0.139 0.000 1.310 155 F HN 0.609 nan 8.300 nan 0.000 0.491 156 F N 2.363 122.165 119.950 -0.246 0.000 2.456 156 F HA 0.085 4.617 4.527 0.008 0.000 0.298 156 F C 0.614 176.551 175.800 0.229 0.000 1.104 156 F CA 0.515 58.511 58.000 -0.006 0.000 1.435 156 F CB -0.215 38.826 39.000 0.068 0.000 1.078 156 F HN 0.112 nan 8.300 nan 0.000 0.546 157 I N -1.911 118.996 120.570 0.563 0.000 3.145 157 I HA 0.518 4.692 4.170 0.006 0.000 0.313 157 I C 0.440 176.827 176.117 0.449 0.000 1.122 157 I CA -1.195 60.410 61.300 0.508 0.000 0.987 157 I CB 2.384 40.733 38.000 0.582 0.000 1.236 157 I HN -0.044 nan 8.210 nan 0.000 0.453 158 R N -0.090 120.600 120.500 0.317 0.000 2.531 158 R HA 0.413 4.757 4.340 0.006 0.000 0.316 158 R C -0.705 175.716 176.300 0.201 0.000 0.955 158 R CA -0.337 55.911 56.100 0.246 0.000 1.120 158 R CB 0.364 30.767 30.300 0.172 0.000 1.361 158 R HN 0.681 nan 8.270 nan 0.000 0.534 159 D N 0.264 120.796 120.400 0.220 0.000 2.787 159 D HA 0.313 4.957 4.640 0.006 0.000 0.246 159 D C 0.351 176.770 176.300 0.199 0.000 1.150 159 D CA -0.477 53.621 54.000 0.164 0.000 0.864 159 D CB 2.308 43.185 40.800 0.128 0.000 1.481 159 D HN 0.050 nan 8.370 nan 0.000 0.509 160 A N 4.081 126.991 122.820 0.150 0.000 2.125 160 A HA -0.122 4.201 4.320 0.006 0.000 0.219 160 A C 2.116 179.813 177.584 0.189 0.000 1.156 160 A CA 0.664 52.799 52.037 0.163 0.000 0.671 160 A CB -0.490 18.554 19.000 0.073 0.000 0.794 160 A HN 0.748 nan 8.150 nan 0.000 0.459 161 I N -1.201 119.455 120.570 0.144 0.000 2.361 161 I HA -0.194 3.980 4.170 0.006 0.000 0.251 161 I C 1.442 177.645 176.117 0.144 0.000 1.133 161 I CA 1.286 62.657 61.300 0.119 0.000 1.413 161 I CB 0.085 38.134 38.000 0.081 0.000 1.073 161 I HN 0.059 nan 8.210 nan 0.000 0.424 162 K N 0.059 120.579 120.400 0.200 0.000 2.459 162 K HA -0.046 4.278 4.320 0.006 0.000 0.193 162 K C 1.593 178.323 176.600 0.216 0.000 1.030 162 K CA 0.478 56.897 56.287 0.220 0.000 1.026 162 K CB -0.585 32.099 32.500 0.307 0.000 0.809 162 K HN 0.301 nan 8.250 nan 0.000 0.504 163 F N 2.996 123.016 119.950 0.118 0.000 2.095 163 F HA -0.133 4.399 4.527 0.008 0.000 0.298 163 F C -1.008 174.772 175.800 -0.034 0.000 1.104 163 F CA 1.286 59.356 58.000 0.116 0.000 1.232 163 F CB -0.830 38.260 39.000 0.150 0.000 0.987 163 F HN 0.048 nan 8.300 nan 0.000 0.475 164 P HA -0.141 nan 4.420 nan 0.000 0.216 164 P C 1.192 178.068 177.300 -0.706 0.000 1.153 164 P CA 1.899 64.727 63.100 -0.453 0.000 0.848 164 P CB -0.109 31.410 31.700 -0.303 0.000 0.787 165 D N -0.842 119.288 120.400 -0.450 0.000 2.097 165 D HA -0.165 4.478 4.640 0.006 0.000 0.195 165 D C 1.912 177.683 176.300 -0.882 0.000 0.989 165 D CA 1.151 54.847 54.000 -0.507 0.000 0.827 165 D CB -0.538 40.127 40.800 -0.225 0.000 0.966 165 D HN 0.140 nan 8.370 nan 0.000 0.456 166 M N 0.966 120.064 119.600 -0.836 0.000 2.065 166 M HA -0.174 4.309 4.480 0.006 0.000 0.259 166 M C 2.258 178.167 176.300 -0.652 0.000 1.069 166 M CA 1.333 56.039 55.300 -0.990 0.000 1.110 166 M CB -0.045 32.386 32.600 -0.282 0.000 1.328 166 M HN -0.153 nan 8.290 nan 0.000 0.405 167 V N 0.182 119.766 119.914 -0.551 0.000 2.332 167 V HA -0.330 3.794 4.120 0.006 0.000 0.248 167 V C 2.056 178.033 176.094 -0.194 0.000 1.055 167 V CA 2.247 64.333 62.300 -0.357 0.000 1.038 167 V CB -1.338 30.187 31.823 -0.497 0.000 0.651 167 V HN 0.579 nan 8.190 nan 0.000 0.450 168 H N -0.160 118.699 119.070 -0.351 0.000 2.352 168 H HA -0.157 4.403 4.556 0.008 0.000 0.299 168 H C 2.315 177.449 175.328 -0.323 0.000 1.097 168 H CA 1.130 57.006 56.048 -0.287 0.000 1.311 168 H CB -0.037 29.571 29.762 -0.258 0.000 1.377 168 H HN 0.494 nan 8.280 nan 0.000 0.504 169 A N 0.619 123.199 122.820 -0.399 0.000 1.969 169 A HA -0.118 4.206 4.320 0.006 0.000 0.218 169 A C 2.044 179.400 177.584 -0.380 0.000 1.169 169 A CA 0.943 52.697 52.037 -0.471 0.000 0.635 169 A CB -0.778 17.706 19.000 -0.859 0.000 0.810 169 A HN 0.324 nan 8.150 nan 0.000 0.445 170 F N 0.381 120.103 119.950 -0.380 0.000 2.163 170 F HA -0.044 4.486 4.527 0.006 0.000 0.297 170 F C 1.430 177.087 175.800 -0.239 0.000 1.094 170 F CA 0.562 58.381 58.000 -0.302 0.000 1.290 170 F CB 0.125 38.928 39.000 -0.329 0.000 1.017 170 F HN -0.035 nan 8.300 nan 0.000 0.483 171 K N 0.891 121.273 120.400 -0.031 0.000 2.156 171 K HA 0.103 4.427 4.320 0.006 0.000 0.242 171 K C -2.232 174.326 176.600 -0.069 0.000 1.033 171 K CA -1.349 54.872 56.287 -0.109 0.000 0.878 171 K CB -0.632 31.806 32.500 -0.102 0.000 1.057 171 K HN -0.140 nan 8.250 nan 0.000 0.505 172 P HA -0.105 nan 4.420 nan 0.000 0.267 172 P C -0.274 177.012 177.300 -0.024 0.000 1.201 172 P CA 0.141 63.244 63.100 0.006 0.000 0.775 172 P CB 0.313 32.038 31.700 0.042 0.000 0.854 173 D N 3.146 123.539 120.400 -0.010 0.000 2.493 173 D HA -0.039 4.605 4.640 0.006 0.000 0.240 173 D C -1.189 175.088 176.300 -0.037 0.000 1.142 173 D CA -1.226 52.758 54.000 -0.025 0.000 0.872 173 D CB 0.584 41.381 40.800 -0.005 0.000 1.173 173 D HN 0.199 nan 8.370 nan 0.000 0.467 174 P HA -0.067 nan 4.420 nan 0.000 0.223 174 P C 1.025 178.298 177.300 -0.045 0.000 1.151 174 P CA 0.839 63.895 63.100 -0.072 0.000 0.787 174 P CB 0.381 32.018 31.700 -0.104 0.000 0.788 175 R N -0.231 120.250 120.500 -0.031 0.000 2.119 175 R HA 0.016 4.360 4.340 0.006 0.000 0.222 175 R C 1.915 178.208 176.300 -0.010 0.000 1.088 175 R CA 1.966 58.055 56.100 -0.019 0.000 0.984 175 R CB -0.480 29.813 30.300 -0.012 0.000 0.884 175 R HN 0.321 nan 8.270 nan 0.000 0.447 176 T N -4.368 110.182 114.554 -0.005 0.000 3.041 176 T HA 0.107 4.461 4.350 0.006 0.000 0.276 176 T C 0.405 175.111 174.700 0.009 0.000 0.948 176 T CA -0.002 62.100 62.100 0.003 0.000 0.885 176 T CB 0.253 69.126 68.868 0.010 0.000 1.175 176 T HN 0.153 nan 8.240 nan 0.000 0.529 177 N N 0.426 119.131 118.700 0.007 0.000 2.741 177 N HA -0.128 4.616 4.740 0.006 0.000 0.250 177 N C -0.868 174.665 175.510 0.039 0.000 1.115 177 N CA 0.521 53.583 53.050 0.019 0.000 0.724 177 N CB -1.989 36.510 38.487 0.020 0.000 1.090 177 N HN 0.710 nan 8.380 nan 0.000 0.558 178 L N 0.069 121.314 121.223 0.037 0.000 2.334 178 L HA 0.430 4.774 4.340 0.006 0.000 0.273 178 L C 0.190 177.101 176.870 0.068 0.000 1.013 178 L CA -1.098 53.773 54.840 0.052 0.000 0.816 178 L CB 1.138 43.220 42.059 0.039 0.000 1.278 178 L HN 0.031 nan 8.230 nan 0.000 0.431 179 D N 2.139 122.598 120.400 0.098 0.000 2.488 179 D HA 0.015 4.659 4.640 0.006 0.000 0.238 179 D C -0.225 176.126 176.300 0.087 0.000 1.138 179 D CA 0.709 54.779 54.000 0.117 0.000 0.873 179 D CB 0.646 41.538 40.800 0.152 0.000 1.183 179 D HN 0.322 nan 8.370 nan 0.000 0.458 180 N N 1.724 120.469 118.700 0.075 0.000 2.685 180 N HA 0.047 4.791 4.740 0.006 0.000 0.252 180 N C -0.522 175.030 175.510 0.069 0.000 1.261 180 N CA -0.426 52.664 53.050 0.068 0.000 0.768 180 N CB 0.661 39.174 38.487 0.044 0.000 1.304 180 N HN -0.025 nan 8.380 nan 0.000 0.536 181 D N -0.003 120.465 120.400 0.114 0.000 2.351 181 D HA -0.121 4.522 4.640 0.006 0.000 0.216 181 D C 1.716 178.103 176.300 0.145 0.000 0.968 181 D CA 0.932 55.004 54.000 0.120 0.000 0.899 181 D CB 0.168 41.119 40.800 0.252 0.000 0.907 181 D HN 0.656 nan 8.370 nan 0.000 0.514 182 S N 0.345 116.145 115.700 0.166 0.000 2.399 182 S HA -0.156 4.317 4.470 0.006 0.000 0.231 182 S C 1.868 176.539 174.600 0.119 0.000 1.022 182 S CA 0.476 58.791 58.200 0.191 0.000 0.983 182 S CB -0.122 63.158 63.200 0.133 0.000 0.803 182 S HN 0.233 nan 8.310 nan 0.000 0.480 183 R N 1.945 122.464 120.500 0.032 0.000 2.066 183 R HA -0.018 4.325 4.340 0.006 0.000 0.232 183 R C 2.803 179.043 176.300 -0.099 0.000 1.131 183 R CA 1.621 57.708 56.100 -0.023 0.000 0.955 183 R CB -0.479 29.788 30.300 -0.056 0.000 0.851 183 R HN 0.678 nan 8.270 nan 0.000 0.432 184 R N 0.225 120.575 120.500 -0.250 0.000 2.148 184 R HA -0.065 4.278 4.340 0.006 0.000 0.227 184 R C 1.558 177.709 176.300 -0.248 0.000 1.103 184 R CA 1.453 57.275 56.100 -0.464 0.000 0.983 184 R CB -0.474 29.403 30.300 -0.705 0.000 0.874 184 R HN 0.214 nan 8.270 nan 0.000 0.451 185 F N 1.406 121.456 119.950 0.167 0.000 2.512 185 F HA 0.005 4.534 4.527 0.004 0.000 0.296 185 F C 2.084 177.987 175.800 0.171 0.000 1.110 185 F CA 0.558 58.694 58.000 0.227 0.000 1.446 185 F CB -0.067 39.050 39.000 0.195 0.000 1.092 185 F HN 0.096 nan 8.300 nan 0.000 0.554 186 D N 0.526 121.084 120.400 0.264 0.000 2.097 186 D HA -0.254 4.390 4.640 0.006 0.000 0.195 186 D C 2.030 178.525 176.300 0.325 0.000 0.989 186 D CA 1.346 55.486 54.000 0.232 0.000 0.827 186 D CB -0.345 40.559 40.800 0.173 0.000 0.966 186 D HN 0.225 nan 8.370 nan 0.000 0.456 187 F N -0.002 119.983 119.950 0.059 0.000 2.084 187 F HA 0.010 4.540 4.527 0.006 0.000 0.296 187 F C 1.980 177.863 175.800 0.140 0.000 1.111 187 F CA 1.324 59.322 58.000 -0.004 0.000 1.224 187 F CB -0.715 38.054 39.000 -0.385 0.000 0.991 187 F HN -0.067 nan 8.300 nan 0.000 0.471 188 F N 0.459 120.470 119.950 0.101 0.000 2.546 188 F HA -0.122 4.409 4.527 0.006 0.000 0.298 188 F C 2.632 178.548 175.800 0.194 0.000 1.120 188 F CA 0.616 58.654 58.000 0.064 0.000 1.456 188 F CB -0.497 38.643 39.000 0.234 0.000 1.088 188 F HN 0.142 nan 8.300 nan 0.000 0.572 189 S N -1.054 114.829 115.700 0.304 0.000 2.507 189 S HA -0.194 4.280 4.470 0.006 0.000 0.235 189 S C 1.001 175.599 174.600 -0.003 0.000 0.988 189 S CA 1.027 59.287 58.200 0.099 0.000 0.944 189 S CB -0.722 62.423 63.200 -0.093 0.000 0.762 189 S HN 0.497 nan 8.310 nan 0.000 0.526 190 H N -0.227 118.907 119.070 0.107 0.000 2.586 190 H HA 0.459 5.019 4.556 0.005 0.000 0.273 190 H C -0.387 174.951 175.328 0.016 0.000 0.997 190 H CA 0.073 56.149 56.048 0.047 0.000 1.177 190 H CB 0.702 30.412 29.762 -0.087 0.000 1.471 190 H HN 0.302 nan 8.280 nan 0.000 0.538 191 V N 2.997 123.004 119.914 0.155 0.000 2.313 191 V HA 0.120 4.244 4.120 0.006 0.000 0.262 191 V C -1.698 174.397 176.094 0.002 0.000 1.011 191 V CA -1.075 61.271 62.300 0.077 0.000 0.858 191 V CB 1.537 33.422 31.823 0.104 0.000 1.104 191 V HN 0.169 nan 8.190 nan 0.000 0.456 192 P HA -0.179 nan 4.420 nan 0.000 0.218 192 P C 1.407 178.418 177.300 -0.482 0.000 1.148 192 P CA 1.256 63.881 63.100 -0.792 0.000 0.822 192 P CB 0.379 31.570 31.700 -0.848 0.000 0.784 193 E N 0.646 120.689 120.200 -0.261 0.000 2.333 193 E HA -0.116 4.238 4.350 0.006 0.000 0.198 193 E C 1.645 178.213 176.600 -0.053 0.000 1.007 193 E CA 1.235 57.537 56.400 -0.164 0.000 0.845 193 E CB -1.005 28.664 29.700 -0.052 0.000 0.766 193 E HN 0.196 nan 8.360 nan 0.000 0.507 194 A N 1.235 124.063 122.820 0.013 0.000 2.208 194 A HA 0.026 4.350 4.320 0.006 0.000 0.209 194 A C 2.143 179.749 177.584 0.036 0.000 1.161 194 A CA 0.928 52.994 52.037 0.049 0.000 0.782 194 A CB -0.619 18.328 19.000 -0.089 0.000 0.816 194 A HN 0.267 nan 8.150 nan 0.000 0.477 195 T N -0.088 114.492 114.554 0.042 0.000 2.635 195 T HA -0.242 4.112 4.350 0.006 0.000 0.267 195 T C 2.060 176.872 174.700 0.188 0.000 1.040 195 T CA 1.755 63.961 62.100 0.178 0.000 1.156 195 T CB -0.260 68.727 68.868 0.197 0.000 0.863 195 T HN 0.613 nan 8.240 nan 0.000 0.430 196 R N 0.417 120.962 120.500 0.075 0.000 2.083 196 R HA -0.129 4.215 4.340 0.006 0.000 0.237 196 R C 2.332 178.621 176.300 -0.017 0.000 1.137 196 R CA 1.917 58.038 56.100 0.034 0.000 0.951 196 R CB -0.495 29.776 30.300 -0.048 0.000 0.851 196 R HN 0.344 nan 8.270 nan 0.000 0.434 197 T N 1.034 115.526 114.554 -0.103 0.000 2.985 197 T HA 0.028 4.381 4.350 0.006 0.000 0.266 197 T C 1.709 176.365 174.700 -0.073 0.000 1.076 197 T CA 0.607 62.522 62.100 -0.308 0.000 1.135 197 T CB 0.048 68.458 68.868 -0.764 0.000 0.890 197 T HN 0.171 nan 8.240 nan 0.000 0.480 198 L N 0.901 122.243 121.223 0.198 0.000 2.201 198 L HA -0.062 4.282 4.340 0.006 0.000 0.212 198 L C 2.800 179.895 176.870 0.375 0.000 1.105 198 L CA 0.939 55.990 54.840 0.352 0.000 0.775 198 L CB -0.869 41.398 42.059 0.346 0.000 0.913 198 L HN 0.245 nan 8.230 nan 0.000 0.440 199 T N 0.148 114.939 114.554 0.395 0.000 2.821 199 T HA -0.129 4.225 4.350 0.006 0.000 0.267 199 T C 1.945 176.786 174.700 0.236 0.000 1.046 199 T CA 1.146 63.517 62.100 0.451 0.000 1.139 199 T CB -0.133 68.977 68.868 0.403 0.000 0.871 199 T HN 0.200 nan 8.240 nan 0.000 0.454 200 L N 0.220 121.422 121.223 -0.035 0.000 2.109 200 L HA 0.009 4.352 4.340 0.006 0.000 0.207 200 L C 2.365 179.039 176.870 -0.327 0.000 1.086 200 L CA 0.542 55.182 54.840 -0.334 0.000 0.760 200 L CB -0.436 41.017 42.059 -1.009 0.000 0.910 200 L HN 0.211 nan 8.230 nan 0.000 0.437 201 L N -0.835 120.303 121.223 -0.141 0.000 2.017 201 L HA -0.224 4.119 4.340 0.006 0.000 0.208 201 L C 2.073 178.888 176.870 -0.091 0.000 1.073 201 L CA 1.950 56.829 54.840 0.065 0.000 0.745 201 L CB -0.605 41.483 42.059 0.049 0.000 0.894 201 L HN 0.141 nan 8.230 nan 0.000 0.432 202 Y N -0.633 119.729 120.300 0.104 0.000 2.529 202 Y HA 0.104 4.657 4.550 0.006 0.000 0.290 202 Y C 1.819 177.791 175.900 0.119 0.000 1.177 202 Y CA 0.217 58.377 58.100 0.100 0.000 1.305 202 Y CB -0.287 38.175 38.460 0.003 0.000 1.047 202 Y HN 0.295 nan 8.280 nan 0.000 0.522 203 S N -0.136 115.660 115.700 0.161 0.000 2.641 203 S HA 0.032 4.506 4.470 0.006 0.000 0.261 203 S C 1.033 175.636 174.600 0.005 0.000 1.257 203 S CA -0.598 57.594 58.200 -0.013 0.000 0.983 203 S CB 0.561 63.661 63.200 -0.167 0.000 0.990 203 S HN 0.263 nan 8.310 nan 0.000 0.572 204 N N 0.970 119.633 118.700 -0.062 0.000 2.521 204 N HA 0.030 4.774 4.740 0.006 0.000 0.188 204 N C 1.145 176.700 175.510 0.075 0.000 1.146 204 N CA 0.269 53.325 53.050 0.010 0.000 0.893 204 N CB -0.283 38.191 38.487 -0.023 0.000 0.975 204 N HN 0.601 nan 8.380 nan 0.000 0.451 205 E N 0.318 120.575 120.200 0.095 0.000 2.204 205 E HA -0.063 4.291 4.350 0.006 0.000 0.195 205 E C 1.796 178.632 176.600 0.393 0.000 0.990 205 E CA 0.567 57.107 56.400 0.233 0.000 0.821 205 E CB -0.319 29.518 29.700 0.228 0.000 0.750 205 E HN 0.374 nan 8.360 nan 0.000 0.477 206 G N 1.523 110.532 108.800 0.349 0.000 2.535 206 G HA2 -0.164 3.800 3.960 0.006 0.000 0.218 206 G HA3 -0.164 3.800 3.960 0.006 0.000 0.218 206 G C 0.847 175.916 174.900 0.281 0.000 1.122 206 G CA 1.275 46.595 45.100 0.367 0.000 0.769 206 G HN 0.282 nan 8.290 nan 0.000 0.549 207 T N -1.263 113.417 114.554 0.210 0.000 3.296 207 T HA 0.523 4.877 4.350 0.006 0.000 0.333 207 T C -3.130 171.628 174.700 0.096 0.000 1.280 207 T CA -1.853 60.340 62.100 0.154 0.000 1.558 207 T CB 2.584 71.518 68.868 0.111 0.000 0.929 207 T HN -0.141 nan 8.240 nan 0.000 0.596 208 P HA 0.318 nan 4.420 nan 0.000 0.269 208 P C 0.802 178.140 177.300 0.064 0.000 1.217 208 P CA -0.273 62.831 63.100 0.007 0.000 0.783 208 P CB 0.552 32.172 31.700 -0.133 0.000 0.898 209 A N 1.432 124.310 122.820 0.096 0.000 2.147 209 A HA 0.475 4.799 4.320 0.006 0.000 0.211 209 A C 0.942 178.637 177.584 0.185 0.000 1.160 209 A CA 1.241 53.365 52.037 0.145 0.000 0.781 209 A CB -0.557 18.462 19.000 0.032 0.000 0.842 209 A HN 0.657 nan 8.150 nan 0.000 0.475 210 G N -3.173 105.691 108.800 0.106 0.000 2.579 210 G HA2 0.403 4.367 3.960 0.006 0.000 0.292 210 G HA3 0.403 4.367 3.960 0.006 0.000 0.292 210 G C -0.313 174.420 174.900 -0.278 0.000 1.484 210 G CA -0.474 44.568 45.100 -0.097 0.000 0.813 210 G HN -0.054 nan 8.290 nan 0.000 0.515 211 Y N 0.347 120.408 120.300 -0.399 0.000 2.439 211 Y HA 0.003 4.557 4.550 0.006 0.000 0.292 211 Y C 2.987 178.604 175.900 -0.471 0.000 1.130 211 Y CA 0.907 58.647 58.100 -0.601 0.000 1.254 211 Y CB 0.006 37.725 38.460 -1.234 0.000 1.000 211 Y HN 0.491 nan 8.280 nan 0.000 0.554 212 R N -0.891 119.351 120.500 -0.431 0.000 2.189 212 R HA -0.080 4.264 4.340 0.006 0.000 0.223 212 R C 0.262 176.147 176.300 -0.691 0.000 1.092 212 R CA 1.033 56.750 56.100 -0.639 0.000 0.989 212 R CB -0.372 29.306 30.300 -1.036 0.000 0.876 212 R HN 0.281 nan 8.270 nan 0.000 0.457 213 F N 0.971 120.920 119.950 -0.002 0.000 2.963 213 F HA 0.323 4.854 4.527 0.006 0.000 0.321 213 F C 0.317 176.192 175.800 0.124 0.000 1.234 213 F CA -0.800 57.214 58.000 0.024 0.000 1.296 213 F CB 0.312 39.305 39.000 -0.012 0.000 0.981 213 F HN -0.102 nan 8.300 nan 0.000 0.507 214 M N -1.898 117.907 119.600 0.341 0.000 2.484 214 M HA 0.615 5.099 4.480 0.006 0.000 0.289 214 M C -1.783 174.904 176.300 0.644 0.000 1.206 214 M CA -0.781 54.770 55.300 0.418 0.000 0.892 214 M CB 2.291 35.100 32.600 0.349 0.000 1.712 214 M HN -0.283 nan 8.290 nan 0.000 0.462 215 D N 1.114 121.876 120.400 0.602 0.000 2.451 215 D HA 0.801 5.445 4.640 0.006 0.000 0.259 215 D C -0.364 176.358 176.300 0.704 0.000 1.201 215 D CA 0.157 54.582 54.000 0.708 0.000 1.028 215 D CB 1.733 42.901 40.800 0.614 0.000 1.095 215 D HN 0.903 nan 8.370 nan 0.000 0.539 216 G N -0.016 109.127 108.800 0.571 0.000 2.620 216 G HA2 0.505 4.469 3.960 0.006 0.000 0.301 216 G HA3 0.505 4.469 3.960 0.006 0.000 0.301 216 G C -1.039 174.024 174.900 0.272 0.000 1.347 216 G CA -0.560 44.715 45.100 0.291 0.000 0.971 216 G HN 0.320 nan 8.290 nan 0.000 0.488 217 N N -0.155 118.651 118.700 0.177 0.000 2.235 217 N HA 0.329 5.073 4.740 0.006 0.000 0.293 217 N C 0.974 176.510 175.510 0.045 0.000 1.083 217 N CA -0.193 52.928 53.050 0.118 0.000 0.801 217 N CB 2.427 40.975 38.487 0.102 0.000 1.559 217 N HN 0.604 nan 8.380 nan 0.000 0.472 218 G N 0.215 109.045 108.800 0.050 0.000 2.509 218 G HA2 0.032 3.995 3.960 0.006 0.000 0.218 218 G HA3 0.032 3.995 3.960 0.006 0.000 0.218 218 G C 1.064 175.970 174.900 0.011 0.000 1.124 218 G CA 1.005 46.165 45.100 0.101 0.000 0.776 218 G HN 0.476 nan 8.290 nan 0.000 0.547 219 V N -0.263 119.598 119.914 -0.089 0.000 0.582 219 V HA -0.306 3.818 4.120 0.006 0.000 0.092 219 V C 1.029 176.951 176.094 -0.285 0.000 1.874 219 V CA 2.016 64.175 62.300 -0.234 0.000 3.418 219 V CB -1.525 30.080 31.823 -0.364 0.000 0.707 219 V HN 0.643 nan 8.190 nan 0.000 0.732 220 H N 0.688 119.751 119.070 -0.013 0.000 2.603 220 H HA 0.669 5.228 4.556 0.006 0.000 0.370 220 H C 0.485 175.766 175.328 -0.078 0.000 1.225 220 H CA 0.197 56.191 56.048 -0.090 0.000 1.410 220 H CB 0.600 30.238 29.762 -0.206 0.000 1.495 220 H HN 0.830 nan 8.280 nan 0.000 0.602 221 A N 1.882 124.721 122.820 0.032 0.000 2.401 221 A HA 0.315 4.639 4.320 0.006 0.000 0.259 221 A C -0.845 176.797 177.584 0.096 0.000 1.103 221 A CA -0.150 51.942 52.037 0.092 0.000 0.789 221 A CB -0.236 18.953 19.000 0.316 0.000 1.035 221 A HN 0.545 nan 8.150 nan 0.000 0.491 222 Y N 0.639 121.047 120.300 0.179 0.000 2.457 222 Y HA 0.429 4.982 4.550 0.006 0.000 0.333 222 Y C 0.674 176.617 175.900 0.071 0.000 1.119 222 Y CA -0.298 57.911 58.100 0.181 0.000 1.143 222 Y CB 1.624 40.282 38.460 0.330 0.000 1.230 222 Y HN 0.637 nan 8.280 nan 0.000 0.469 223 K N 3.377 123.834 120.400 0.095 0.000 2.262 223 K HA 0.431 4.754 4.320 0.006 0.000 0.282 223 K C -1.347 175.229 176.600 -0.041 0.000 1.066 223 K CA -0.223 55.970 56.287 -0.157 0.000 0.901 223 K CB 0.297 32.644 32.500 -0.254 0.000 1.089 223 K HN 0.627 nan 8.250 nan 0.000 0.476 224 L N 4.534 125.725 121.223 -0.055 0.000 2.325 224 L HA 0.467 4.811 4.340 0.006 0.000 0.279 224 L C -0.269 176.589 176.870 -0.020 0.000 1.054 224 L CA -0.997 53.836 54.840 -0.012 0.000 0.804 224 L CB 1.629 43.679 42.059 -0.014 0.000 1.200 224 L HN 0.370 nan 8.230 nan 0.000 0.436 225 V N 2.919 122.827 119.914 -0.010 0.000 2.588 225 V HA 0.477 4.601 4.120 0.006 0.000 0.304 225 V C -0.500 175.602 176.094 0.012 0.000 1.042 225 V CA -0.597 61.699 62.300 -0.006 0.000 0.877 225 V CB 1.857 33.667 31.823 -0.020 0.000 0.996 225 V HN 0.941 nan 8.190 nan 0.000 0.425 226 N N 5.895 124.612 118.700 0.029 0.000 2.405 226 N HA 0.537 5.281 4.740 0.006 0.000 0.269 226 N C 0.981 176.499 175.510 0.014 0.000 1.249 226 N CA 0.041 53.108 53.050 0.028 0.000 0.974 226 N CB 1.258 39.775 38.487 0.051 0.000 1.204 226 N HN 0.823 nan 8.380 nan 0.000 0.565 227 A N -0.667 122.159 122.820 0.011 0.000 2.121 227 A HA -0.082 4.242 4.320 0.006 0.000 0.218 227 A C 1.468 179.054 177.584 0.003 0.000 1.154 227 A CA 0.995 53.034 52.037 0.004 0.000 0.679 227 A CB -0.588 18.414 19.000 0.004 0.000 0.795 227 A HN 0.703 nan 8.150 nan 0.000 0.458 228 K N -1.426 118.978 120.400 0.007 0.000 2.404 228 K HA 0.235 4.559 4.320 0.006 0.000 0.194 228 K C 1.011 177.610 176.600 -0.001 0.000 1.023 228 K CA 0.444 56.733 56.287 0.003 0.000 1.094 228 K CB 0.082 32.587 32.500 0.007 0.000 0.841 228 K HN 0.592 nan 8.250 nan 0.000 0.523 229 G N 1.960 110.759 108.800 -0.002 0.000 2.159 229 G HA2 -0.277 3.687 3.960 0.006 0.000 0.256 229 G HA3 -0.277 3.687 3.960 0.006 0.000 0.256 229 G C -0.334 174.555 174.900 -0.018 0.000 0.977 229 G CA -0.021 45.075 45.100 -0.007 0.000 0.652 229 G HN 0.396 nan 8.290 nan 0.000 0.531 230 E N -0.314 119.876 120.200 -0.017 0.000 2.331 230 E HA 0.525 4.879 4.350 0.006 0.000 0.272 230 E C 0.132 176.689 176.600 -0.070 0.000 1.036 230 E CA -0.450 55.921 56.400 -0.049 0.000 0.864 230 E CB 2.006 31.685 29.700 -0.035 0.000 1.035 230 E HN 0.121 nan 8.360 nan 0.000 0.408 231 V N 2.683 122.502 119.914 -0.158 0.000 2.667 231 V HA 0.333 4.457 4.120 0.006 0.000 0.308 231 V C -0.818 175.059 176.094 -0.362 0.000 1.048 231 V CA -0.638 61.542 62.300 -0.199 0.000 0.928 231 V CB 1.502 33.200 31.823 -0.208 0.000 1.004 231 V HN 0.666 nan 8.190 nan 0.000 0.444 232 H N 1.689 120.660 119.070 -0.166 0.000 2.717 232 H HA 0.569 5.129 4.556 0.006 0.000 0.366 232 H C -1.505 173.709 175.328 -0.190 0.000 1.132 232 H CA -0.416 55.573 56.048 -0.098 0.000 1.180 232 H CB 1.610 31.345 29.762 -0.045 0.000 1.678 232 H HN 0.552 nan 8.280 nan 0.000 0.537 233 Y N 1.398 121.812 120.300 0.189 0.000 2.313 233 Y HA 0.480 5.034 4.550 0.006 0.000 0.332 233 Y C -0.241 175.825 175.900 0.277 0.000 1.071 233 Y CA -0.400 57.835 58.100 0.225 0.000 1.169 233 Y CB 1.069 39.680 38.460 0.251 0.000 1.192 233 Y HN 0.246 nan 8.280 nan 0.000 0.487 234 V N 4.068 124.146 119.914 0.274 0.000 2.841 234 V HA 0.412 4.536 4.120 0.006 0.000 0.310 234 V C -0.684 175.293 176.094 -0.195 0.000 1.090 234 V CA -1.548 60.755 62.300 0.005 0.000 0.930 234 V CB 2.305 33.964 31.823 -0.273 0.000 1.014 234 V HN 0.617 nan 8.190 nan 0.000 0.425 235 K N 2.831 123.013 120.400 -0.364 0.000 2.207 235 K HA 0.692 5.016 4.320 0.006 0.000 0.255 235 K C -1.603 174.734 176.600 -0.439 0.000 0.941 235 K CA -0.420 55.617 56.287 -0.415 0.000 0.825 235 K CB 2.070 34.203 32.500 -0.611 0.000 1.119 235 K HN 0.440 nan 8.250 nan 0.000 0.430 236 F N 1.107 121.010 119.950 -0.080 0.000 2.480 236 F HA 0.318 4.848 4.527 0.006 0.000 0.329 236 F C 0.363 176.099 175.800 -0.106 0.000 1.091 236 F CA -0.624 57.293 58.000 -0.138 0.000 0.972 236 F CB 1.430 40.278 39.000 -0.253 0.000 1.150 236 F HN 0.449 nan 8.300 nan 0.000 0.467 237 H N 2.064 121.108 119.070 -0.043 0.000 2.782 237 H HA 0.254 4.814 4.556 0.006 0.000 0.347 237 H C -1.931 173.401 175.328 0.008 0.000 1.038 237 H CA -0.997 55.042 56.048 -0.015 0.000 1.255 237 H CB 1.183 30.974 29.762 0.048 0.000 1.623 237 H HN 0.757 nan 8.280 nan 0.000 0.525 238 W N 5.577 126.881 121.300 0.006 0.000 2.314 238 W HA 0.294 4.958 4.660 0.006 0.000 0.310 238 W C -0.110 176.437 176.519 0.046 0.000 1.075 238 W CA -0.845 56.512 57.345 0.020 0.000 1.253 238 W CB 1.113 30.464 29.460 -0.182 0.000 1.238 238 W HN 0.329 nan 8.180 nan 0.000 0.440 239 K N 3.034 123.614 120.400 0.299 0.000 2.267 239 K HA 0.228 4.552 4.320 0.006 0.000 0.282 239 K C 0.354 177.173 176.600 0.364 0.000 1.078 239 K CA -0.288 56.104 56.287 0.175 0.000 0.903 239 K CB 0.945 33.475 32.500 0.051 0.000 1.111 239 K HN 0.342 nan 8.250 nan 0.000 0.475 240 S N 4.630 120.525 115.700 0.325 0.000 2.525 240 S HA 0.056 4.530 4.470 0.006 0.000 0.285 240 S C 1.006 175.546 174.600 -0.101 0.000 1.283 240 S CA -0.424 57.710 58.200 -0.109 0.000 1.072 240 S CB 0.178 63.395 63.200 0.029 0.000 0.867 240 S HN 0.642 nan 8.310 nan 0.000 0.492 241 L N 4.318 125.406 121.223 -0.226 0.000 2.627 241 L HA 0.143 4.487 4.340 0.006 0.000 0.232 241 L C 1.228 178.039 176.870 -0.098 0.000 1.150 241 L CA 0.097 54.880 54.840 -0.095 0.000 0.917 241 L CB -0.304 41.718 42.059 -0.061 0.000 1.104 241 L HN 0.607 nan 8.230 nan 0.000 0.445 242 Q N -0.020 119.710 119.800 -0.118 0.000 2.217 242 Q HA 0.344 4.688 4.340 0.006 0.000 0.217 242 Q C 0.867 176.973 176.000 0.177 0.000 0.844 242 Q CA 0.427 56.248 55.803 0.032 0.000 0.957 242 Q CB 1.246 29.949 28.738 -0.058 0.000 1.127 242 Q HN 0.369 nan 8.270 nan 0.000 0.503 243 G N 0.686 109.555 108.800 0.116 0.000 2.795 243 G HA2 -0.179 3.785 3.960 0.006 0.000 0.664 243 G HA3 -0.179 3.785 3.960 0.006 0.000 0.664 243 G C -0.906 174.119 174.900 0.209 0.000 1.381 243 G CA -0.817 44.364 45.100 0.135 0.000 0.853 243 G HN 0.066 nan 8.290 nan 0.000 0.545 244 I N 0.688 121.360 120.570 0.170 0.000 2.321 244 I HA 0.501 4.674 4.170 0.006 0.000 0.291 244 I C 0.514 176.695 176.117 0.107 0.000 0.998 244 I CA -0.401 61.013 61.300 0.190 0.000 1.227 244 I CB 1.326 39.429 38.000 0.173 0.000 1.368 244 I HN 0.563 nan 8.210 nan 0.000 0.466 245 K N 5.682 126.152 120.400 0.117 0.000 2.604 245 K HA 0.403 4.727 4.320 0.006 0.000 0.247 245 K C -0.787 175.824 176.600 0.019 0.000 0.956 245 K CA -0.548 55.712 56.287 -0.044 0.000 0.896 245 K CB 1.277 33.557 32.500 -0.367 0.000 1.131 245 K HN 0.503 nan 8.250 nan 0.000 0.440 246 N N 2.842 121.550 118.700 0.013 0.000 2.459 246 N HA 0.470 5.214 4.740 0.006 0.000 0.288 246 N C -0.695 174.812 175.510 -0.005 0.000 1.186 246 N CA -0.479 52.589 53.050 0.029 0.000 0.917 246 N CB 1.265 39.777 38.487 0.041 0.000 1.219 246 N HN 0.361 nan 8.380 nan 0.000 0.525 247 L N 1.016 122.242 121.223 0.005 0.000 2.317 247 L HA 0.323 4.667 4.340 0.006 0.000 0.281 247 L C 0.085 176.951 176.870 -0.006 0.000 1.024 247 L CA -1.055 53.774 54.840 -0.019 0.000 0.810 247 L CB 1.322 43.358 42.059 -0.038 0.000 1.240 247 L HN 0.598 nan 8.230 nan 0.000 0.427 248 D N 2.637 123.027 120.400 -0.017 0.000 2.423 248 D HA 0.272 4.916 4.640 0.006 0.000 0.255 248 D C -2.078 174.225 176.300 0.005 0.000 1.174 248 D CA -2.057 51.940 54.000 -0.005 0.000 1.008 248 D CB 0.299 41.092 40.800 -0.013 0.000 1.101 248 D HN 0.120 nan 8.370 nan 0.000 0.516 249 P HA -0.178 nan 4.420 nan 0.000 0.216 249 P C 1.011 178.322 177.300 0.017 0.000 1.150 249 P CA 1.569 64.689 63.100 0.034 0.000 0.843 249 P CB 0.141 31.875 31.700 0.055 0.000 0.787 250 K N -0.123 120.282 120.400 0.007 0.000 2.103 250 K HA -0.099 4.225 4.320 0.006 0.000 0.204 250 K C 2.061 178.651 176.600 -0.016 0.000 1.052 250 K CA 1.152 57.438 56.287 -0.001 0.000 0.945 250 K CB -0.163 32.335 32.500 -0.003 0.000 0.722 250 K HN 0.260 nan 8.250 nan 0.000 0.443 251 E N 0.469 120.653 120.200 -0.027 0.000 2.152 251 E HA -0.109 4.244 4.350 0.006 0.000 0.192 251 E C 1.979 178.538 176.600 -0.068 0.000 0.983 251 E CA 0.523 56.894 56.400 -0.048 0.000 0.818 251 E CB 0.102 29.768 29.700 -0.056 0.000 0.758 251 E HN -0.016 nan 8.360 nan 0.000 0.467 252 V N 1.509 121.392 119.914 -0.050 0.000 2.255 252 V HA -0.327 3.797 4.120 0.006 0.000 0.247 252 V C 2.361 178.423 176.094 -0.054 0.000 1.051 252 V CA 2.071 64.335 62.300 -0.060 0.000 1.018 252 V CB -0.732 31.085 31.823 -0.009 0.000 0.641 252 V HN 0.357 nan 8.190 nan 0.000 0.445 253 A N -1.334 121.472 122.820 -0.023 0.000 1.908 253 A HA -0.287 4.037 4.320 0.006 0.000 0.218 253 A C 2.195 179.764 177.584 -0.026 0.000 1.181 253 A CA 1.898 53.926 52.037 -0.014 0.000 0.627 253 A CB -0.533 18.467 19.000 -0.000 0.000 0.818 253 A HN 0.527 nan 8.150 nan 0.000 0.445 254 Q N -0.319 119.459 119.800 -0.036 0.000 2.050 254 Q HA -0.115 4.229 4.340 0.006 0.000 0.202 254 Q C 2.358 178.325 176.000 -0.055 0.000 0.980 254 Q CA 1.801 57.580 55.803 -0.040 0.000 0.840 254 Q CB -0.656 28.056 28.738 -0.042 0.000 0.898 254 Q HN 0.466 nan 8.270 nan 0.000 0.424 255 V N 0.831 120.687 119.914 -0.096 0.000 2.343 255 V HA -0.260 3.864 4.120 0.006 0.000 0.247 255 V C 2.459 178.504 176.094 -0.081 0.000 1.051 255 V CA 2.022 64.242 62.300 -0.134 0.000 1.036 255 V CB -0.552 31.088 31.823 -0.305 0.000 0.654 255 V HN 0.431 nan 8.190 nan 0.000 0.451 256 Q N 0.386 120.150 119.800 -0.060 0.000 2.124 256 Q HA -0.210 4.133 4.340 0.006 0.000 0.202 256 Q C 2.430 178.444 176.000 0.023 0.000 0.977 256 Q CA 1.920 57.725 55.803 0.002 0.000 0.850 256 Q CB -0.164 28.579 28.738 0.009 0.000 0.901 256 Q HN 0.818 nan 8.270 nan 0.000 0.429 257 S N 0.361 116.063 115.700 0.004 0.000 2.387 257 S HA -0.198 4.276 4.470 0.006 0.000 0.230 257 S C 1.485 176.098 174.600 0.022 0.000 1.035 257 S CA 1.518 59.724 58.200 0.010 0.000 1.014 257 S CB -0.174 63.025 63.200 -0.000 0.000 0.836 257 S HN 0.409 nan 8.310 nan 0.000 0.466 258 K N -0.091 120.323 120.400 0.024 0.000 2.412 258 K HA 0.304 4.628 4.320 0.006 0.000 0.202 258 K C -0.539 176.097 176.600 0.060 0.000 1.102 258 K CA 0.107 56.416 56.287 0.035 0.000 1.027 258 K CB 0.394 32.902 32.500 0.013 0.000 0.931 258 K HN 0.274 nan 8.250 nan 0.000 0.557 259 D N 0.519 120.956 120.400 0.062 0.000 2.575 259 D HA 0.080 4.724 4.640 0.006 0.000 0.250 259 D C -0.321 176.040 176.300 0.102 0.000 1.279 259 D CA -0.669 53.362 54.000 0.053 0.000 0.925 259 D CB 0.801 41.608 40.800 0.012 0.000 1.261 259 D HN 0.138 nan 8.370 nan 0.000 0.567 260 Y N 1.218 121.538 120.300 0.034 0.000 2.457 260 Y HA 0.441 4.996 4.550 0.008 0.000 0.263 260 Y C 0.147 176.091 175.900 0.072 0.000 1.164 260 Y CA -0.365 57.764 58.100 0.049 0.000 1.274 260 Y CB 0.547 39.021 38.460 0.023 0.000 1.097 260 Y HN 0.090 nan 8.280 nan 0.000 0.523 261 S N 1.470 116.946 115.700 -0.373 0.000 2.740 261 S HA 0.037 4.510 4.470 0.006 0.000 0.244 261 S C 1.025 175.538 174.600 -0.145 0.000 1.101 261 S CA -0.426 57.598 58.200 -0.293 0.000 1.123 261 S CB -0.713 62.214 63.200 -0.455 0.000 1.012 261 S HN 0.736 nan 8.310 nan 0.000 0.491 262 H N 1.545 120.528 119.070 -0.144 0.000 2.387 262 H HA 0.013 4.573 4.556 0.006 0.000 0.299 262 H C 1.378 176.616 175.328 -0.151 0.000 1.099 262 H CA 1.184 57.158 56.048 -0.123 0.000 1.315 262 H CB -0.391 29.312 29.762 -0.097 0.000 1.380 262 H HN 0.425 nan 8.280 nan 0.000 0.513 263 L N 0.757 121.542 121.223 -0.729 0.000 2.072 263 L HA -0.082 4.261 4.340 0.006 0.000 0.205 263 L C 2.872 179.559 176.870 -0.306 0.000 1.079 263 L CA 1.427 55.833 54.840 -0.722 0.000 0.752 263 L CB -0.661 40.676 42.059 -1.203 0.000 0.906 263 L HN 0.225 nan 8.230 nan 0.000 0.436 264 T N -0.383 114.089 114.554 -0.137 0.000 2.684 264 T HA -0.166 4.188 4.350 0.006 0.000 0.267 264 T C 1.798 176.478 174.700 -0.033 0.000 1.036 264 T CA 1.450 63.550 62.100 -0.000 0.000 1.148 264 T CB -0.308 68.571 68.868 0.018 0.000 0.863 264 T HN 0.263 nan 8.240 nan 0.000 0.436 265 N N 1.061 119.719 118.700 -0.070 0.000 2.061 265 N HA -0.155 4.589 4.740 0.006 0.000 0.193 265 N C 1.781 177.271 175.510 -0.034 0.000 1.030 265 N CA 1.745 54.766 53.050 -0.048 0.000 0.856 265 N CB -0.589 37.868 38.487 -0.051 0.000 1.023 265 N HN 0.521 nan 8.380 nan 0.000 0.424 266 D N 0.164 120.533 120.400 -0.052 0.000 2.104 266 D HA -0.145 4.499 4.640 0.006 0.000 0.194 266 D C 2.067 178.334 176.300 -0.054 0.000 0.994 266 D CA 0.823 54.798 54.000 -0.041 0.000 0.830 266 D CB -0.122 40.645 40.800 -0.057 0.000 0.959 266 D HN 0.118 nan 8.370 nan 0.000 0.452 267 L N -0.147 121.038 121.223 -0.064 0.000 2.023 267 L HA -0.024 4.320 4.340 0.006 0.000 0.205 267 L C 2.299 179.171 176.870 0.004 0.000 1.073 267 L CA 1.232 56.047 54.840 -0.042 0.000 0.745 267 L CB -0.580 41.469 42.059 -0.017 0.000 0.900 267 L HN 0.049 nan 8.230 nan 0.000 0.435 268 V N 0.371 120.298 119.914 0.021 0.000 2.287 268 V HA -0.235 3.888 4.120 0.006 0.000 0.248 268 V C 2.624 178.734 176.094 0.028 0.000 1.053 268 V CA 1.894 64.215 62.300 0.035 0.000 1.027 268 V CB -1.706 30.141 31.823 0.040 0.000 0.646 268 V HN 0.646 nan 8.190 nan 0.000 0.447 269 G N -0.529 108.278 108.800 0.010 0.000 2.418 269 G HA2 -0.216 3.748 3.960 0.006 0.000 0.217 269 G HA3 -0.216 3.748 3.960 0.006 0.000 0.217 269 G C 1.786 176.687 174.900 0.002 0.000 1.158 269 G CA 1.097 46.201 45.100 0.005 0.000 0.771 269 G HN 0.617 nan 8.290 nan 0.000 0.545 270 A N 0.874 123.691 122.820 -0.005 0.000 1.883 270 A HA -0.014 4.310 4.320 0.006 0.000 0.217 270 A C 2.412 179.998 177.584 0.004 0.000 1.186 270 A CA 1.451 53.476 52.037 -0.020 0.000 0.624 270 A CB -0.401 18.574 19.000 -0.042 0.000 0.822 270 A HN 0.384 nan 8.150 nan 0.000 0.444 271 I N -0.772 119.846 120.570 0.079 0.000 2.315 271 I HA -0.251 3.923 4.170 0.006 0.000 0.248 271 I C 2.430 178.650 176.117 0.173 0.000 1.117 271 I CA 1.465 62.892 61.300 0.213 0.000 1.404 271 I CB -0.296 37.822 38.000 0.196 0.000 1.071 271 I HN 0.312 nan 8.210 nan 0.000 0.419 272 K N 0.670 121.120 120.400 0.083 0.000 2.097 272 K HA -0.147 4.177 4.320 0.006 0.000 0.206 272 K C 1.874 178.486 176.600 0.021 0.000 1.049 272 K CA 0.997 57.320 56.287 0.059 0.000 0.933 272 K CB 0.006 32.526 32.500 0.034 0.000 0.717 272 K HN 0.081 nan 8.250 nan 0.000 0.442 273 K N -0.568 119.819 120.400 -0.022 0.000 2.432 273 K HA 0.013 4.337 4.320 0.006 0.000 0.196 273 K C 1.114 177.613 176.600 -0.168 0.000 1.038 273 K CA 0.887 57.131 56.287 -0.072 0.000 0.986 273 K CB 0.326 32.784 32.500 -0.070 0.000 0.782 273 K HN 0.430 nan 8.250 nan 0.000 0.485 274 G N 2.027 110.657 108.800 -0.284 0.000 2.141 274 G HA2 -0.233 3.730 3.960 0.006 0.000 0.231 274 G HA3 -0.233 3.730 3.960 0.006 0.000 0.231 274 G C -0.246 174.016 174.900 -1.062 0.000 0.984 274 G CA 0.199 44.831 45.100 -0.781 0.000 0.660 274 G HN 0.333 nan 8.290 nan 0.000 0.525 275 D N 0.703 120.753 120.400 -0.583 0.000 2.639 275 D HA 0.424 5.068 4.640 0.006 0.000 0.233 275 D C 0.608 176.782 176.300 -0.209 0.000 1.161 275 D CA -0.784 52.992 54.000 -0.373 0.000 1.003 275 D CB -0.902 39.790 40.800 -0.179 0.000 1.034 275 D HN 0.286 nan 8.370 nan 0.000 0.514 276 F N 2.703 122.628 119.950 -0.041 0.000 2.541 276 F HA 0.204 4.734 4.527 0.006 0.000 0.378 276 F C -1.211 174.543 175.800 -0.077 0.000 1.068 276 F CA -1.920 56.055 58.000 -0.041 0.000 1.199 276 F CB 0.305 39.295 39.000 -0.017 0.000 1.091 276 F HN 0.165 nan 8.300 nan 0.000 0.555 277 P HA 0.195 nan 4.420 nan 0.000 0.275 277 P C -1.165 176.072 177.300 -0.105 0.000 1.228 277 P CA -0.397 62.598 63.100 -0.175 0.000 0.786 277 P CB 1.204 32.724 31.700 -0.301 0.000 0.927 278 K N 1.761 121.957 120.400 -0.338 0.000 2.426 278 K HA 0.579 4.903 4.320 0.006 0.000 0.251 278 K C -1.045 175.449 176.600 -0.177 0.000 0.941 278 K CA -0.464 55.784 56.287 -0.065 0.000 0.808 278 K CB 2.276 34.782 32.500 0.010 0.000 1.265 278 K HN 0.521 nan 8.250 nan 0.000 0.432 279 W N 1.449 122.859 121.300 0.183 0.000 3.097 279 W HA 0.219 4.883 4.660 0.006 0.000 0.335 279 W C -0.936 175.837 176.519 0.423 0.000 1.114 279 W CA -0.696 56.833 57.345 0.306 0.000 1.231 279 W CB 2.186 31.864 29.460 0.364 0.000 1.388 279 W HN 0.460 nan 8.180 nan 0.000 0.485 280 D N 2.087 122.839 120.400 0.587 0.000 2.210 280 D HA 0.322 4.966 4.640 0.006 0.000 0.249 280 D C -0.655 175.959 176.300 0.523 0.000 1.062 280 D CA -0.375 53.901 54.000 0.460 0.000 0.891 280 D CB 2.074 43.063 40.800 0.316 0.000 1.186 280 D HN 0.040 nan 8.370 nan 0.000 0.432 281 L N 3.739 125.171 121.223 0.348 0.000 2.264 281 L HA 0.345 4.689 4.340 0.006 0.000 0.289 281 L C -1.541 175.329 176.870 -0.000 0.000 1.044 281 L CA -0.325 54.573 54.840 0.096 0.000 0.807 281 L CB 0.207 42.294 42.059 0.047 0.000 1.192 281 L HN 0.225 nan 8.230 nan 0.000 0.425 282 Y N 3.795 124.088 120.300 -0.012 0.000 2.485 282 Y HA 0.671 5.225 4.550 0.006 0.000 0.345 282 Y C -0.059 175.829 175.900 -0.020 0.000 0.998 282 Y CA -0.884 57.231 58.100 0.025 0.000 1.059 282 Y CB 2.126 40.636 38.460 0.082 0.000 1.234 282 Y HN 0.484 nan 8.280 nan 0.000 0.461 283 V N -0.041 119.917 119.914 0.074 0.000 2.715 283 V HA 0.660 4.784 4.120 0.006 0.000 0.310 283 V C -0.927 175.162 176.094 -0.008 0.000 1.054 283 V CA -1.023 61.212 62.300 -0.107 0.000 0.928 283 V CB 1.848 33.501 31.823 -0.284 0.000 1.007 283 V HN 0.784 nan 8.190 nan 0.000 0.437 284 Q N 2.122 121.916 119.800 -0.008 0.000 2.322 284 Q HA 0.743 5.087 4.340 0.006 0.000 0.265 284 Q C -1.258 174.865 176.000 0.205 0.000 0.985 284 Q CA -0.645 55.241 55.803 0.139 0.000 0.849 284 Q CB 2.475 31.373 28.738 0.267 0.000 1.274 284 Q HN 0.778 nan 8.270 nan 0.000 0.449 285 V N 4.040 124.058 119.914 0.172 0.000 2.628 285 V HA 0.591 4.714 4.120 0.006 0.000 0.306 285 V C -0.397 175.795 176.094 0.164 0.000 1.045 285 V CA -0.714 61.679 62.300 0.156 0.000 0.905 285 V CB 1.758 33.584 31.823 0.005 0.000 0.997 285 V HN 0.638 nan 8.190 nan 0.000 0.436 286 L N 3.154 124.499 121.223 0.203 0.000 2.409 286 L HA 0.582 4.926 4.340 0.006 0.000 0.262 286 L C -0.396 176.613 176.870 0.232 0.000 0.992 286 L CA -0.847 54.055 54.840 0.104 0.000 0.817 286 L CB 2.751 44.722 42.059 -0.148 0.000 1.350 286 L HN 0.552 nan 8.230 nan 0.000 0.411 287 K N 1.996 122.487 120.400 0.152 0.000 2.098 287 K HA 0.281 4.605 4.320 0.006 0.000 0.257 287 K C -1.689 174.976 176.600 0.109 0.000 0.999 287 K CA -1.470 54.871 56.287 0.091 0.000 0.924 287 K CB 0.993 33.509 32.500 0.027 0.000 1.028 287 K HN 0.220 nan 8.250 nan 0.000 0.466 288 P HA -0.247 nan 4.420 nan 0.000 0.216 288 P C 0.833 178.141 177.300 0.014 0.000 1.150 288 P CA 1.299 64.493 63.100 0.157 0.000 0.837 288 P CB 0.131 31.946 31.700 0.192 0.000 0.786 289 E N 0.877 121.068 120.200 -0.014 0.000 2.418 289 E HA -0.182 4.172 4.350 0.006 0.000 0.197 289 E C 1.191 177.741 176.600 -0.084 0.000 1.026 289 E CA 1.042 57.413 56.400 -0.049 0.000 0.862 289 E CB -0.716 28.955 29.700 -0.048 0.000 0.799 289 E HN 0.379 nan 8.360 nan 0.000 0.518 290 E N 0.874 121.027 120.200 -0.079 0.000 2.427 290 E HA 0.034 4.388 4.350 0.006 0.000 0.196 290 E C 2.130 178.655 176.600 -0.126 0.000 1.028 290 E CA 0.206 56.526 56.400 -0.133 0.000 0.864 290 E CB -0.043 29.616 29.700 -0.068 0.000 0.813 290 E HN 0.327 nan 8.360 nan 0.000 0.514 291 L N 0.346 121.515 121.223 -0.090 0.000 2.201 291 L HA -0.047 4.297 4.340 0.006 0.000 0.212 291 L C 2.409 179.234 176.870 -0.075 0.000 1.105 291 L CA 0.770 55.567 54.840 -0.072 0.000 0.775 291 L CB -0.433 41.513 42.059 -0.189 0.000 0.913 291 L HN 0.109 nan 8.230 nan 0.000 0.440 292 A N 0.045 122.790 122.820 -0.125 0.000 2.123 292 A HA -0.068 4.256 4.320 0.006 0.000 0.214 292 A C 2.259 179.733 177.584 -0.183 0.000 1.152 292 A CA 0.621 52.584 52.037 -0.124 0.000 0.728 292 A CB -0.114 18.824 19.000 -0.103 0.000 0.814 292 A HN 0.271 nan 8.150 nan 0.000 0.464 293 K N -0.611 119.595 120.400 -0.324 0.000 2.025 293 K HA -0.002 4.322 4.320 0.006 0.000 0.207 293 K C -0.088 176.222 176.600 -0.482 0.000 1.049 293 K CA 0.688 56.694 56.287 -0.468 0.000 0.933 293 K CB -0.283 31.796 32.500 -0.702 0.000 0.714 293 K HN 0.481 nan 8.250 nan 0.000 0.438 294 F N 2.290 122.067 119.950 -0.288 0.000 2.587 294 F HA -0.116 4.415 4.527 0.007 0.000 0.327 294 F C 1.760 177.408 175.800 -0.253 0.000 1.232 294 F CA 0.142 57.930 58.000 -0.353 0.000 1.353 294 F CB 0.218 38.765 39.000 -0.755 0.000 1.156 294 F HN 0.234 nan 8.300 nan 0.000 0.599 295 D N 0.173 120.610 120.400 0.062 0.000 2.340 295 D HA -0.024 4.620 4.640 0.006 0.000 0.220 295 D C -0.058 176.338 176.300 0.161 0.000 1.039 295 D CA 0.317 54.374 54.000 0.096 0.000 0.866 295 D CB -0.431 40.453 40.800 0.140 0.000 0.913 295 D HN 0.312 nan 8.370 nan 0.000 0.523 296 F N -0.288 119.724 119.950 0.103 0.000 2.618 296 F HA 0.554 5.085 4.527 0.007 0.000 0.332 296 F C -0.529 175.309 175.800 0.063 0.000 1.061 296 F CA -1.736 56.300 58.000 0.060 0.000 0.974 296 F CB 0.928 39.950 39.000 0.037 0.000 1.310 296 F HN -0.377 nan 8.300 nan 0.000 0.491 297 D N 1.900 122.427 120.400 0.212 0.000 2.316 297 D HA 0.345 4.989 4.640 0.006 0.000 0.245 297 D C -1.969 174.450 176.300 0.197 0.000 1.171 297 D CA -2.602 51.452 54.000 0.089 0.000 0.856 297 D CB 1.694 42.556 40.800 0.104 0.000 1.090 297 D HN 0.226 nan 8.370 nan 0.000 0.476 298 P HA -0.007 nan 4.420 nan 0.000 0.228 298 P C 0.951 178.515 177.300 0.439 0.000 1.151 298 P CA 0.714 63.953 63.100 0.231 0.000 0.770 298 P CB 0.237 31.802 31.700 -0.225 0.000 0.786 299 L N -1.234 120.116 121.223 0.212 0.000 2.700 299 L HA 0.199 4.543 4.340 0.006 0.000 0.234 299 L C 0.632 177.597 176.870 0.159 0.000 1.156 299 L CA -0.212 54.727 54.840 0.165 0.000 0.946 299 L CB -0.277 41.815 42.059 0.055 0.000 1.216 299 L HN -0.103 nan 8.230 nan 0.000 0.493 300 D N 1.056 121.575 120.400 0.199 0.000 2.325 300 D HA 0.158 4.802 4.640 0.006 0.000 0.251 300 D C 1.034 177.427 176.300 0.154 0.000 1.196 300 D CA 0.012 54.113 54.000 0.169 0.000 0.866 300 D CB 1.937 42.843 40.800 0.177 0.000 1.101 300 D HN 0.138 nan 8.370 nan 0.000 0.476 301 A N 3.028 125.945 122.820 0.162 0.000 2.216 301 A HA -0.088 4.236 4.320 0.006 0.000 0.214 301 A C 1.660 179.310 177.584 0.111 0.000 1.160 301 A CA 1.402 53.529 52.037 0.149 0.000 0.725 301 A CB -0.537 18.604 19.000 0.235 0.000 0.784 301 A HN 0.631 nan 8.150 nan 0.000 0.472 302 T N -2.865 111.745 114.554 0.094 0.000 3.235 302 T HA 0.272 4.625 4.350 0.006 0.000 0.251 302 T C 0.273 174.947 174.700 -0.043 0.000 1.060 302 T CA -0.216 61.905 62.100 0.035 0.000 0.949 302 T CB -0.067 68.818 68.868 0.028 0.000 1.020 302 T HN 0.133 nan 8.240 nan 0.000 0.564 303 K N 1.730 122.100 120.400 -0.050 0.000 2.422 303 K HA 0.564 4.888 4.320 0.006 0.000 0.251 303 K C -0.104 176.420 176.600 -0.127 0.000 0.933 303 K CA -0.859 55.343 56.287 -0.141 0.000 0.798 303 K CB 2.781 35.185 32.500 -0.159 0.000 1.238 303 K HN 0.413 nan 8.250 nan 0.000 0.428 304 I N -2.784 117.683 120.570 -0.172 0.000 3.062 304 I HA 0.543 4.717 4.170 0.006 0.000 0.318 304 I C -0.679 175.480 176.117 0.070 0.000 1.026 304 I CA -0.719 60.506 61.300 -0.126 0.000 1.096 304 I CB 0.953 38.884 38.000 -0.115 0.000 1.348 304 I HN 0.306 nan 8.210 nan 0.000 0.543 305 W N 2.633 123.889 121.300 -0.074 0.000 2.347 305 W HA 0.444 5.108 4.660 0.007 0.000 0.321 305 W C -2.172 174.327 176.519 -0.033 0.000 0.971 305 W CA -2.442 54.893 57.345 -0.016 0.000 1.508 305 W CB 0.043 29.479 29.460 -0.039 0.000 1.299 305 W HN 0.450 nan 8.180 nan 0.000 0.399 306 P HA -0.148 nan 4.420 nan 0.000 0.215 306 P C 0.768 178.129 177.300 0.101 0.000 1.157 306 P CA 1.836 64.989 63.100 0.089 0.000 0.863 306 P CB 0.548 32.282 31.700 0.055 0.000 0.787 307 D N -1.204 119.270 120.400 0.122 0.000 2.368 307 D HA 0.098 4.742 4.640 0.006 0.000 0.218 307 D C -0.036 176.328 176.300 0.106 0.000 1.112 307 D CA 0.148 54.213 54.000 0.109 0.000 0.834 307 D CB 0.612 41.485 40.800 0.122 0.000 0.953 307 D HN 0.031 nan 8.370 nan 0.000 0.505 308 V N 3.178 123.164 119.914 0.120 0.000 2.509 308 V HA 0.236 4.360 4.120 0.006 0.000 0.284 308 V C -1.956 174.214 176.094 0.127 0.000 1.047 308 V CA -1.389 60.984 62.300 0.123 0.000 0.952 308 V CB 1.506 33.424 31.823 0.157 0.000 0.988 308 V HN -0.031 nan 8.190 nan 0.000 0.469 309 P HA 0.370 nan 4.420 nan 0.000 0.281 309 P C -0.774 176.595 177.300 0.116 0.000 1.249 309 P CA -0.582 62.576 63.100 0.097 0.000 0.810 309 P CB 0.887 32.635 31.700 0.080 0.000 1.008 310 E N 0.952 121.229 120.200 0.129 0.000 2.191 310 E HA 0.395 4.748 4.350 0.006 0.000 0.278 310 E C -0.311 176.449 176.600 0.266 0.000 0.972 310 E CA -0.887 55.629 56.400 0.194 0.000 0.804 310 E CB 1.826 31.634 29.700 0.180 0.000 1.110 310 E HN 0.341 nan 8.360 nan 0.000 0.394 311 K N 2.666 123.209 120.400 0.238 0.000 2.345 311 K HA 0.245 4.569 4.320 0.006 0.000 0.255 311 K C -0.916 175.691 176.600 0.013 0.000 0.934 311 K CA -0.805 55.562 56.287 0.134 0.000 0.801 311 K CB 1.463 33.981 32.500 0.029 0.000 1.137 311 K HN 0.300 nan 8.250 nan 0.000 0.424 312 K N 5.328 125.602 120.400 -0.210 0.000 2.276 312 K HA 0.173 4.497 4.320 0.006 0.000 0.283 312 K C 0.569 177.028 176.600 -0.234 0.000 1.044 312 K CA -0.264 55.679 56.287 -0.572 0.000 0.944 312 K CB 0.473 32.540 32.500 -0.722 0.000 1.012 312 K HN 0.779 nan 8.250 nan 0.000 0.472 313 I N 0.024 120.508 120.570 -0.143 0.000 4.327 313 I HA 0.453 4.627 4.170 0.006 0.000 0.331 313 I C 0.442 176.636 176.117 0.128 0.000 1.348 313 I CA -0.455 60.846 61.300 0.001 0.000 1.152 313 I CB 1.011 39.008 38.000 -0.004 0.000 1.151 313 I HN 0.694 nan 8.210 nan 0.000 0.410 314 G N 0.972 109.837 108.800 0.110 0.000 2.321 314 G HA2 0.341 4.304 3.960 0.006 0.000 0.296 314 G HA3 0.341 4.304 3.960 0.006 0.000 0.296 314 G C -2.255 172.716 174.900 0.118 0.000 1.287 314 G CA -0.546 44.559 45.100 0.008 0.000 0.846 314 G HN 0.250 nan 8.290 nan 0.000 0.508 315 Q N -0.631 119.139 119.800 -0.049 0.000 2.359 315 Q HA 0.698 5.042 4.340 0.006 0.000 0.274 315 Q C -1.180 175.006 176.000 0.309 0.000 1.074 315 Q CA -0.809 55.128 55.803 0.223 0.000 0.810 315 Q CB 2.318 31.122 28.738 0.111 0.000 1.342 315 Q HN 0.741 nan 8.270 nan 0.000 0.427 316 M N 3.633 123.554 119.600 0.534 0.000 2.436 316 M HA 0.602 5.086 4.480 0.006 0.000 0.331 316 M C -1.865 174.605 176.300 0.284 0.000 1.135 316 M CA -0.792 54.750 55.300 0.403 0.000 0.987 316 M CB 1.956 34.715 32.600 0.266 0.000 1.687 316 M HN 0.487 nan 8.290 nan 0.000 0.445 317 V N 6.765 126.781 119.914 0.171 0.000 2.487 317 V HA 0.537 4.661 4.120 0.006 0.000 0.298 317 V C -1.318 174.810 176.094 0.056 0.000 1.028 317 V CA -0.650 61.731 62.300 0.136 0.000 0.860 317 V CB 1.883 33.752 31.823 0.078 0.000 0.991 317 V HN 0.876 nan 8.190 nan 0.000 0.427 318 L N 7.466 128.751 121.223 0.103 0.000 2.262 318 L HA 0.567 4.911 4.340 0.006 0.000 0.288 318 L C 0.731 177.544 176.870 -0.094 0.000 1.035 318 L CA -0.085 54.751 54.840 -0.007 0.000 0.820 318 L CB 0.931 43.030 42.059 0.067 0.000 1.204 318 L HN 0.897 nan 8.230 nan 0.000 0.424 319 N N 2.255 120.753 118.700 -0.336 0.000 2.377 319 N HA 0.185 4.929 4.740 0.006 0.000 0.259 319 N C -0.430 174.740 175.510 -0.566 0.000 1.332 319 N CA -0.643 51.895 53.050 -0.854 0.000 0.877 319 N CB 0.968 38.619 38.487 -1.394 0.000 1.299 319 N HN 0.455 nan 8.380 nan 0.000 0.501 320 K N 0.639 120.886 120.400 -0.255 0.000 2.550 320 K HA 0.262 4.585 4.320 0.006 0.000 0.252 320 K C -1.486 175.058 176.600 -0.093 0.000 0.943 320 K CA -0.625 55.572 56.287 -0.150 0.000 0.806 320 K CB 1.586 33.988 32.500 -0.164 0.000 1.289 320 K HN -0.028 nan 8.250 nan 0.000 0.435 321 N N 1.368 120.050 118.700 -0.031 0.000 2.463 321 N HA 0.221 4.965 4.740 0.006 0.000 0.270 321 N C -0.212 175.297 175.510 -0.002 0.000 1.205 321 N CA -0.322 52.722 53.050 -0.011 0.000 0.974 321 N CB 1.365 39.872 38.487 0.034 0.000 1.197 321 N HN 0.430 nan 8.380 nan 0.000 0.504 322 V N -0.996 118.933 119.914 0.026 0.000 3.051 322 V HA 0.166 4.290 4.120 0.006 0.000 0.306 322 V C 0.742 176.885 176.094 0.082 0.000 1.083 322 V CA -0.150 62.193 62.300 0.073 0.000 1.104 322 V CB 0.708 32.606 31.823 0.125 0.000 1.027 322 V HN 0.486 nan 8.190 nan 0.000 0.483 323 D N 0.744 121.191 120.400 0.079 0.000 2.183 323 D HA 0.037 4.681 4.640 0.006 0.000 0.205 323 D C 0.603 176.962 176.300 0.099 0.000 0.962 323 D CA 1.297 55.340 54.000 0.072 0.000 0.849 323 D CB 0.051 40.882 40.800 0.051 0.000 0.978 323 D HN 0.744 nan 8.370 nan 0.000 0.488 324 N N -0.565 118.205 118.700 0.116 0.000 2.371 324 N HA 0.008 4.752 4.740 0.006 0.000 0.291 324 N C -0.191 175.435 175.510 0.193 0.000 1.053 324 N CA -0.377 52.768 53.050 0.158 0.000 0.870 324 N CB 1.435 40.003 38.487 0.135 0.000 1.503 324 N HN -0.213 nan 8.380 nan 0.000 0.485 325 F N 3.818 123.837 119.950 0.116 0.000 2.102 325 F HA -0.115 4.415 4.527 0.006 0.000 0.298 325 F C 1.721 177.594 175.800 0.121 0.000 1.105 325 F CA 1.508 59.580 58.000 0.119 0.000 1.239 325 F CB -0.154 38.920 39.000 0.124 0.000 0.991 325 F HN 0.627 nan 8.300 nan 0.000 0.474 326 F N 1.025 121.082 119.950 0.178 0.000 2.113 326 F HA -0.203 4.327 4.527 0.006 0.000 0.297 326 F C 2.424 178.188 175.800 -0.060 0.000 1.103 326 F CA 1.932 59.961 58.000 0.048 0.000 1.248 326 F CB -0.617 38.438 39.000 0.091 0.000 0.999 326 F HN 0.005 nan 8.300 nan 0.000 0.475 327 Q N -0.180 119.672 119.800 0.087 0.000 2.167 327 Q HA -0.159 4.185 4.340 0.006 0.000 0.202 327 Q C 1.835 177.715 176.000 -0.201 0.000 0.970 327 Q CA 1.928 57.707 55.803 -0.041 0.000 0.855 327 Q CB -0.057 28.717 28.738 0.060 0.000 0.911 327 Q HN 0.590 nan 8.270 nan 0.000 0.438 328 E N -0.843 119.245 120.200 -0.187 0.000 2.110 328 E HA 0.017 4.370 4.350 0.006 0.000 0.194 328 E C 1.984 178.353 176.600 -0.385 0.000 0.944 328 E CA 0.943 57.190 56.400 -0.254 0.000 0.899 328 E CB 0.140 29.835 29.700 -0.007 0.000 0.907 328 E HN 0.082 nan 8.360 nan 0.000 0.473 329 T N 1.217 115.580 114.554 -0.319 0.000 2.777 329 T HA -0.151 4.202 4.350 0.006 0.000 0.266 329 T C 1.805 176.192 174.700 -0.521 0.000 1.040 329 T CA 1.623 63.487 62.100 -0.392 0.000 1.141 329 T CB -0.110 68.280 68.868 -0.795 0.000 0.868 329 T HN 0.033 nan 8.240 nan 0.000 0.444 330 E N 1.290 121.110 120.200 -0.634 0.000 2.112 330 E HA -0.007 4.347 4.350 0.006 0.000 0.190 330 E C 2.081 178.382 176.600 -0.498 0.000 0.979 330 E CA 1.039 57.136 56.400 -0.505 0.000 0.814 330 E CB -0.088 29.325 29.700 -0.478 0.000 0.762 330 E HN 0.457 nan 8.360 nan 0.000 0.460 331 Q N -0.287 119.168 119.800 -0.576 0.000 2.403 331 Q HA 0.121 4.465 4.340 0.006 0.000 0.203 331 Q C 0.029 175.801 176.000 -0.381 0.000 0.932 331 Q CA -0.165 55.352 55.803 -0.476 0.000 0.945 331 Q CB 0.824 29.273 28.738 -0.482 0.000 1.045 331 Q HN 0.127 nan 8.270 nan 0.000 0.511 332 V N 0.809 120.466 119.914 -0.429 0.000 2.843 332 V HA 0.284 4.408 4.120 0.006 0.000 0.305 332 V C -0.503 175.417 176.094 -0.290 0.000 1.065 332 V CA 0.051 62.092 62.300 -0.433 0.000 1.116 332 V CB 1.168 32.594 31.823 -0.662 0.000 0.968 332 V HN 0.188 nan 8.190 nan 0.000 0.487 333 A N 8.455 131.128 122.820 -0.245 0.000 2.431 333 A HA 0.659 4.983 4.320 0.006 0.000 0.318 333 A C -0.370 177.117 177.584 -0.162 0.000 1.330 333 A CA -0.665 51.271 52.037 -0.169 0.000 0.804 333 A CB 0.362 19.277 19.000 -0.143 0.000 1.135 333 A HN 0.729 nan 8.150 nan 0.000 0.483 334 M N 2.022 121.544 119.600 -0.131 0.000 2.144 334 M HA 0.604 5.088 4.480 0.006 0.000 0.356 334 M C 0.077 176.319 176.300 -0.097 0.000 1.217 334 M CA -0.114 55.097 55.300 -0.148 0.000 1.087 334 M CB 0.679 33.196 32.600 -0.138 0.000 1.609 334 M HN 0.805 nan 8.290 nan 0.000 0.467 335 A N 5.577 128.274 122.820 -0.206 0.000 2.488 335 A HA 0.693 5.016 4.320 0.006 0.000 0.295 335 A C -2.327 175.061 177.584 -0.326 0.000 1.045 335 A CA -1.054 50.815 52.037 -0.279 0.000 0.703 335 A CB 1.389 20.329 19.000 -0.099 0.000 1.271 335 A HN 0.525 nan 8.150 nan 0.000 0.400 336 P HA -0.106 nan 4.420 nan 0.000 0.223 336 P C 1.396 178.654 177.300 -0.070 0.000 1.144 336 P CA 1.827 64.795 63.100 -0.220 0.000 0.783 336 P CB 0.307 31.844 31.700 -0.272 0.000 0.771 337 A N -1.271 121.496 122.820 -0.088 0.000 2.167 337 A HA -0.042 4.282 4.320 0.006 0.000 0.214 337 A C 1.015 178.601 177.584 0.003 0.000 1.151 337 A CA 0.586 52.608 52.037 -0.025 0.000 0.735 337 A CB -0.823 18.162 19.000 -0.025 0.000 0.802 337 A HN 0.123 nan 8.150 nan 0.000 0.467 338 N N 1.016 119.709 118.700 -0.013 0.000 2.555 338 N HA 0.422 5.166 4.740 0.006 0.000 0.244 338 N C -0.996 174.592 175.510 0.131 0.000 1.114 338 N CA 0.420 53.478 53.050 0.015 0.000 0.963 338 N CB 0.495 38.952 38.487 -0.050 0.000 1.276 338 N HN 0.333 nan 8.380 nan 0.000 0.510 339 L N 0.877 122.171 121.223 0.118 0.000 2.319 339 L HA 0.654 4.998 4.340 0.006 0.000 0.267 339 L C 0.267 177.150 176.870 0.023 0.000 1.011 339 L CA -1.174 53.737 54.840 0.117 0.000 0.818 339 L CB 1.839 43.943 42.059 0.074 0.000 1.316 339 L HN 0.087 nan 8.230 nan 0.000 0.432 340 V N -1.252 118.601 119.914 -0.101 0.000 3.074 340 V HA 0.665 4.789 4.120 0.006 0.000 0.314 340 V C -2.686 173.328 176.094 -0.134 0.000 1.117 340 V CA -2.807 59.424 62.300 -0.115 0.000 1.014 340 V CB 1.398 33.117 31.823 -0.173 0.000 1.057 340 V HN 0.500 nan 8.190 nan 0.000 0.438 341 P HA 0.377 nan 4.420 nan 0.000 0.263 341 P C 0.872 178.111 177.300 -0.103 0.000 1.195 341 P CA 1.737 64.798 63.100 -0.065 0.000 0.762 341 P CB 0.591 32.263 31.700 -0.047 0.000 0.799 342 G N 2.640 111.394 108.800 -0.076 0.000 2.253 342 G HA2 -0.153 3.811 3.960 0.006 0.000 0.209 342 G HA3 -0.153 3.811 3.960 0.006 0.000 0.209 342 G C -0.084 174.759 174.900 -0.096 0.000 0.997 342 G CA -0.401 44.655 45.100 -0.073 0.000 0.640 342 G HN 0.488 nan 8.290 nan 0.000 0.496 343 I N 0.988 121.467 120.570 -0.152 0.000 2.499 343 I HA 0.614 4.787 4.170 0.006 0.000 0.288 343 I C -0.614 175.479 176.117 -0.040 0.000 1.048 343 I CA -0.719 60.488 61.300 -0.154 0.000 1.062 343 I CB 2.109 39.813 38.000 -0.492 0.000 1.238 343 I HN 0.077 nan 8.210 nan 0.000 0.426 344 E N 6.181 126.408 120.200 0.044 0.000 2.408 344 E HA 0.442 4.796 4.350 0.006 0.000 0.275 344 E C -2.703 173.947 176.600 0.083 0.000 0.935 344 E CA -1.958 54.462 56.400 0.034 0.000 0.775 344 E CB 2.867 32.550 29.700 -0.028 0.000 1.277 344 E HN 0.255 nan 8.360 nan 0.000 0.455 345 P HA -0.040 nan 4.420 nan 0.000 0.269 345 P C -0.324 176.927 177.300 -0.082 0.000 1.215 345 P CA -0.070 62.972 63.100 -0.095 0.000 0.780 345 P CB 0.715 32.335 31.700 -0.132 0.000 0.898 346 S N 0.859 116.495 115.700 -0.106 0.000 2.694 346 S HA 0.224 4.698 4.470 0.006 0.000 0.278 346 S C 0.821 175.434 174.600 0.021 0.000 1.152 346 S CA -0.350 57.902 58.200 0.087 0.000 1.010 346 S CB 0.192 63.531 63.200 0.232 0.000 1.104 346 S HN 0.257 nan 8.310 nan 0.000 0.547 347 E N 0.651 120.900 120.200 0.082 0.000 2.494 347 E HA 0.139 4.492 4.350 0.006 0.000 0.193 347 E C -0.256 176.338 176.600 -0.010 0.000 1.074 347 E CA 0.049 56.461 56.400 0.019 0.000 0.867 347 E CB -0.374 29.347 29.700 0.035 0.000 0.924 347 E HN 0.585 nan 8.360 nan 0.000 0.502 348 D N 1.075 121.460 120.400 -0.025 0.000 2.520 348 D HA -0.098 4.546 4.640 0.006 0.000 0.243 348 D C 0.629 176.897 176.300 -0.054 0.000 1.160 348 D CA 0.331 54.319 54.000 -0.021 0.000 0.877 348 D CB 0.615 41.392 40.800 -0.039 0.000 1.150 348 D HN 0.103 nan 8.370 nan 0.000 0.494 349 R N 2.969 123.469 120.500 0.000 0.000 2.189 349 R HA -0.113 4.231 4.340 0.006 0.000 0.223 349 R C 1.774 178.072 176.300 -0.003 0.000 1.092 349 R CA 0.366 56.467 56.100 0.001 0.000 0.989 349 R CB 0.002 30.324 30.300 0.036 0.000 0.876 349 R HN 0.399 nan 8.270 nan 0.000 0.457 350 L N 0.498 121.727 121.223 0.010 0.000 2.131 350 L HA -0.053 4.291 4.340 0.006 0.000 0.206 350 L C 1.964 178.739 176.870 -0.159 0.000 1.087 350 L CA 1.125 55.977 54.840 0.020 0.000 0.767 350 L CB -0.300 41.856 42.059 0.162 0.000 0.917 350 L HN 0.087 nan 8.230 nan 0.000 0.441 351 L N -0.645 120.315 121.223 -0.438 0.000 2.017 351 L HA -0.208 4.136 4.340 0.006 0.000 0.208 351 L C 2.453 179.132 176.870 -0.318 0.000 1.073 351 L CA 1.758 56.164 54.840 -0.723 0.000 0.745 351 L CB -0.960 40.475 42.059 -1.039 0.000 0.894 351 L HN 0.348 nan 8.230 nan 0.000 0.432 352 Q N -0.112 119.565 119.800 -0.205 0.000 2.133 352 Q HA -0.197 4.147 4.340 0.006 0.000 0.208 352 Q C 2.093 178.066 176.000 -0.044 0.000 0.991 352 Q CA 1.880 57.620 55.803 -0.106 0.000 0.867 352 Q CB -0.896 27.798 28.738 -0.072 0.000 0.911 352 Q HN 0.707 nan 8.270 nan 0.000 0.417 353 G N 0.608 109.393 108.800 -0.025 0.000 2.403 353 G HA2 -0.227 3.737 3.960 0.006 0.000 0.216 353 G HA3 -0.227 3.737 3.960 0.006 0.000 0.216 353 G C 1.504 176.451 174.900 0.077 0.000 1.154 353 G CA 0.324 45.453 45.100 0.048 0.000 0.784 353 G HN 0.278 nan 8.290 nan 0.000 0.538 354 R N -0.064 120.435 120.500 -0.003 0.000 2.120 354 R HA -0.014 4.330 4.340 0.006 0.000 0.234 354 R C 2.517 178.837 176.300 0.034 0.000 1.123 354 R CA 0.893 57.029 56.100 0.060 0.000 0.975 354 R CB -0.450 29.817 30.300 -0.054 0.000 0.866 354 R HN 0.288 nan 8.270 nan 0.000 0.446 355 V N 0.739 120.643 119.914 -0.017 0.000 2.469 355 V HA -0.249 3.874 4.120 0.006 0.000 0.251 355 V C 1.822 177.963 176.094 0.079 0.000 1.064 355 V CA 1.711 64.008 62.300 -0.005 0.000 1.066 355 V CB -0.514 31.297 31.823 -0.021 0.000 0.667 355 V HN 0.231 nan 8.190 nan 0.000 0.461 356 F N 0.755 120.706 119.950 0.001 0.000 2.147 356 F HA -0.045 4.486 4.527 0.006 0.000 0.291 356 F C 2.709 178.539 175.800 0.051 0.000 1.093 356 F CA 1.691 59.701 58.000 0.017 0.000 1.263 356 F CB -0.554 38.448 39.000 0.003 0.000 1.036 356 F HN 0.066 nan 8.300 nan 0.000 0.481 357 S N -0.847 114.805 115.700 -0.080 0.000 2.399 357 S HA -0.205 4.269 4.470 0.006 0.000 0.231 357 S C 2.034 176.506 174.600 -0.213 0.000 1.022 357 S CA 1.440 59.506 58.200 -0.223 0.000 0.983 357 S CB -0.750 62.438 63.200 -0.020 0.000 0.803 357 S HN 0.557 nan 8.310 nan 0.000 0.480 358 Y N 1.128 121.287 120.300 -0.235 0.000 2.206 358 Y HA 0.133 4.687 4.550 0.007 0.000 0.292 358 Y C 2.868 178.648 175.900 -0.199 0.000 1.123 358 Y CA 0.591 58.578 58.100 -0.188 0.000 1.142 358 Y CB -0.574 37.789 38.460 -0.161 0.000 1.006 358 Y HN 0.367 nan 8.280 nan 0.000 0.518 359 A N 0.123 122.917 122.820 -0.043 0.000 1.933 359 A HA -0.263 4.061 4.320 0.006 0.000 0.218 359 A C 1.720 179.196 177.584 -0.179 0.000 1.175 359 A CA 2.151 54.126 52.037 -0.103 0.000 0.628 359 A CB -0.853 18.090 19.000 -0.094 0.000 0.814 359 A HN 0.502 nan 8.150 nan 0.000 0.444 360 D N -1.424 118.756 120.400 -0.366 0.000 2.097 360 D HA -0.137 4.507 4.640 0.006 0.000 0.195 360 D C 2.014 178.210 176.300 -0.174 0.000 0.989 360 D CA 1.970 55.731 54.000 -0.399 0.000 0.827 360 D CB -0.260 40.010 40.800 -0.883 0.000 0.966 360 D HN 0.290 nan 8.370 nan 0.000 0.456 361 T N -1.122 113.338 114.554 -0.158 0.000 2.867 361 T HA -0.118 4.236 4.350 0.006 0.000 0.268 361 T C 1.807 176.512 174.700 0.009 0.000 1.057 361 T CA 1.305 63.382 62.100 -0.038 0.000 1.136 361 T CB -0.148 68.674 68.868 -0.077 0.000 0.874 361 T HN 0.191 nan 8.240 nan 0.000 0.466 362 Q N -0.275 119.497 119.800 -0.047 0.000 2.230 362 Q HA 0.082 4.426 4.340 0.006 0.000 0.202 362 Q C 2.374 178.352 176.000 -0.035 0.000 0.963 362 Q CA 0.933 56.706 55.803 -0.050 0.000 0.866 362 Q CB -0.081 28.618 28.738 -0.064 0.000 0.931 362 Q HN 0.418 nan 8.270 nan 0.000 0.452 363 M N -0.811 118.777 119.600 -0.018 0.000 2.149 363 M HA -0.203 4.281 4.480 0.006 0.000 0.261 363 M C 1.908 178.237 176.300 0.049 0.000 1.064 363 M CA 1.561 56.865 55.300 0.006 0.000 1.102 363 M CB -0.607 32.000 32.600 0.012 0.000 1.369 363 M HN 0.303 nan 8.290 nan 0.000 0.408 364 Y N 0.358 120.630 120.300 -0.047 0.000 2.201 364 Y HA -0.056 4.497 4.550 0.006 0.000 0.292 364 Y C 2.629 178.511 175.900 -0.031 0.000 1.119 364 Y CA 1.618 59.699 58.100 -0.031 0.000 1.127 364 Y CB -0.461 37.982 38.460 -0.028 0.000 1.019 364 Y HN 0.095 nan 8.280 nan 0.000 0.514 365 R N -0.048 120.325 120.500 -0.211 0.000 2.096 365 R HA -0.098 4.245 4.340 0.006 0.000 0.235 365 R C 1.691 177.852 176.300 -0.232 0.000 1.127 365 R CA 1.989 57.916 56.100 -0.289 0.000 0.968 365 R CB -0.195 30.048 30.300 -0.095 0.000 0.861 365 R HN 0.474 nan 8.270 nan 0.000 0.440 366 L N -1.855 119.273 121.223 -0.158 0.000 2.379 366 L HA 0.377 4.721 4.340 0.006 0.000 0.190 366 L C 0.934 177.742 176.870 -0.104 0.000 1.111 366 L CA 0.374 55.136 54.840 -0.130 0.000 0.820 366 L CB 0.323 42.310 42.059 -0.119 0.000 1.046 366 L HN 0.453 nan 8.230 nan 0.000 0.485 367 G N -1.802 106.950 108.800 -0.079 0.000 2.359 367 G HA2 0.195 4.158 3.960 0.006 0.000 0.314 367 G HA3 0.195 4.158 3.960 0.006 0.000 0.314 367 G C 0.037 174.919 174.900 -0.031 0.000 1.364 367 G CA -0.250 44.821 45.100 -0.050 0.000 0.978 367 G HN 0.088 nan 8.290 nan 0.000 0.615 368 A N -0.364 122.447 122.820 -0.014 0.000 1.972 368 A HA 0.025 4.349 4.320 0.006 0.000 0.219 368 A C 1.696 179.271 177.584 -0.015 0.000 1.169 368 A CA 2.081 54.114 52.037 -0.008 0.000 0.635 368 A CB -0.292 18.710 19.000 0.003 0.000 0.810 368 A HN 0.575 nan 8.150 nan 0.000 0.446 369 N N 0.047 118.736 118.700 -0.018 0.000 2.313 369 N HA 0.055 4.799 4.740 0.006 0.000 0.207 369 N C 1.426 176.915 175.510 -0.034 0.000 1.141 369 N CA 0.725 53.763 53.050 -0.020 0.000 0.830 369 N CB 0.123 38.602 38.487 -0.013 0.000 1.008 369 N HN 0.469 nan 8.380 nan 0.000 0.481 370 G N 0.439 109.211 108.800 -0.046 0.000 2.448 370 G HA2 -0.142 3.822 3.960 0.006 0.000 0.219 370 G HA3 -0.142 3.822 3.960 0.006 0.000 0.219 370 G C 1.362 176.220 174.900 -0.071 0.000 1.127 370 G CA 0.224 45.284 45.100 -0.067 0.000 0.766 370 G HN 0.295 nan 8.290 nan 0.000 0.552 371 L N 1.660 122.850 121.223 -0.055 0.000 2.610 371 L HA 0.056 4.399 4.340 0.006 0.000 0.232 371 L C 2.580 179.426 176.870 -0.040 0.000 1.149 371 L CA 0.895 55.703 54.840 -0.053 0.000 0.872 371 L CB 0.032 42.066 42.059 -0.043 0.000 0.992 371 L HN 0.390 nan 8.230 nan 0.000 0.447 372 S N -1.035 114.644 115.700 -0.036 0.000 2.556 372 S HA 0.176 4.650 4.470 0.006 0.000 0.216 372 S C 0.708 175.288 174.600 -0.033 0.000 0.970 372 S CA -0.441 57.744 58.200 -0.026 0.000 0.912 372 S CB -0.176 63.014 63.200 -0.017 0.000 0.790 372 S HN 0.201 nan 8.310 nan 0.000 0.504 373 L N 1.740 122.932 121.223 -0.051 0.000 2.461 373 L HA 0.247 4.590 4.340 0.006 0.000 0.272 373 L C -1.263 175.569 176.870 -0.064 0.000 1.197 373 L CA -1.878 52.925 54.840 -0.061 0.000 0.836 373 L CB 0.197 42.200 42.059 -0.093 0.000 1.105 373 L HN -0.004 nan 8.230 nan 0.000 0.477 374 P HA -0.266 nan 4.420 nan 0.000 0.219 374 P C 1.632 178.886 177.300 -0.077 0.000 1.161 374 P CA 1.195 64.258 63.100 -0.062 0.000 0.909 374 P CB 0.173 31.837 31.700 -0.059 0.000 0.793 375 V N -0.808 119.034 119.914 -0.121 0.000 2.759 375 V HA -0.127 3.997 4.120 0.006 0.000 0.256 375 V C 1.437 177.483 176.094 -0.080 0.000 1.080 375 V CA 1.877 64.080 62.300 -0.162 0.000 1.101 375 V CB -0.921 30.688 31.823 -0.357 0.000 0.698 375 V HN 0.115 nan 8.190 nan 0.000 0.477 376 N N -0.497 118.153 118.700 -0.083 0.000 2.299 376 N HA 0.095 4.839 4.740 0.006 0.000 0.187 376 N C 0.631 176.152 175.510 0.018 0.000 1.099 376 N CA 0.090 53.102 53.050 -0.063 0.000 0.867 376 N CB 0.148 38.568 38.487 -0.111 0.000 0.974 376 N HN 0.609 nan 8.380 nan 0.000 0.477 377 Q N 1.487 121.313 119.800 0.043 0.000 2.392 377 Q HA 0.187 4.531 4.340 0.006 0.000 0.262 377 Q C -2.087 173.993 176.000 0.132 0.000 1.003 377 Q CA -1.256 54.576 55.803 0.050 0.000 0.888 377 Q CB 0.537 29.284 28.738 0.014 0.000 1.260 377 Q HN 0.160 nan 8.270 nan 0.000 0.435 378 P HA 0.101 nan 4.420 nan 0.000 0.278 378 P C -0.687 176.675 177.300 0.103 0.000 1.266 378 P CA -0.352 62.829 63.100 0.134 0.000 0.807 378 P CB 0.782 32.522 31.700 0.067 0.000 1.094 379 K N -0.182 120.285 120.400 0.111 0.000 2.446 379 K HA 0.228 4.552 4.320 0.006 0.000 0.203 379 K C 0.428 177.050 176.600 0.036 0.000 1.027 379 K CA 0.027 56.346 56.287 0.053 0.000 1.166 379 K CB -0.100 32.436 32.500 0.059 0.000 0.869 379 K HN 0.335 nan 8.250 nan 0.000 0.504 380 V N -2.945 116.990 119.914 0.036 0.000 3.074 380 V HA 0.744 4.868 4.120 0.006 0.000 0.314 380 V C -0.127 175.974 176.094 0.013 0.000 1.117 380 V CA -1.608 60.704 62.300 0.020 0.000 1.014 380 V CB 1.550 33.385 31.823 0.019 0.000 1.057 380 V HN 0.044 nan 8.190 nan 0.000 0.438 381 A N 1.524 124.347 122.820 0.004 0.000 2.462 381 A HA 0.610 4.934 4.320 0.006 0.000 0.243 381 A C -0.069 177.513 177.584 -0.002 0.000 1.076 381 A CA -0.166 51.870 52.037 -0.001 0.000 0.773 381 A CB 0.245 19.241 19.000 -0.006 0.000 1.010 381 A HN 1.297 nan 8.150 nan 0.000 0.493 382 V N 3.100 123.011 119.914 -0.004 0.000 2.398 382 V HA 0.379 4.503 4.120 0.006 0.000 0.286 382 V C -0.154 175.932 176.094 -0.013 0.000 1.026 382 V CA -0.503 61.794 62.300 -0.006 0.000 0.868 382 V CB 1.325 33.146 31.823 -0.004 0.000 0.982 382 V HN 0.926 nan 8.190 nan 0.000 0.443 383 N N 4.494 123.185 118.700 -0.016 0.000 2.577 383 N HA 0.469 5.213 4.740 0.006 0.000 0.275 383 N C -0.940 174.554 175.510 -0.026 0.000 1.091 383 N CA -0.446 52.589 53.050 -0.025 0.000 0.843 383 N CB 1.054 39.525 38.487 -0.027 0.000 1.295 383 N HN 0.899 nan 8.380 nan 0.000 0.530 384 N N 0.059 118.743 118.700 -0.027 0.000 3.378 384 N HA 0.393 5.137 4.740 0.006 0.000 0.294 384 N C -0.161 175.332 175.510 -0.027 0.000 1.544 384 N CA -0.758 52.278 53.050 -0.024 0.000 0.872 384 N CB 0.232 38.712 38.487 -0.011 0.000 1.670 384 N HN 0.146 nan 8.380 nan 0.000 0.551 385 G N -1.043 107.747 108.800 -0.016 0.000 3.707 385 G HA2 0.159 4.123 3.960 0.006 0.000 0.286 385 G HA3 0.159 4.123 3.960 0.006 0.000 0.286 385 G C -0.642 174.261 174.900 0.005 0.000 1.112 385 G CA -0.371 44.722 45.100 -0.012 0.000 0.861 385 G HN 0.459 nan 8.290 nan 0.000 0.534 386 N N 1.728 120.430 118.700 0.002 0.000 2.520 386 N HA 0.328 5.071 4.740 0.006 0.000 0.273 386 N C 0.297 175.811 175.510 0.005 0.000 1.155 386 N CA 0.180 53.235 53.050 0.008 0.000 0.967 386 N CB 1.152 39.644 38.487 0.007 0.000 1.092 386 N HN 0.670 nan 8.380 nan 0.000 0.457 387 Q N 0.232 120.038 119.800 0.010 0.000 2.648 387 Q HA 0.482 4.826 4.340 0.006 0.000 0.300 387 Q C -1.156 174.851 176.000 0.012 0.000 0.954 387 Q CA -0.768 55.040 55.803 0.009 0.000 0.757 387 Q CB 1.607 30.351 28.738 0.011 0.000 1.482 387 Q HN 0.293 nan 8.270 nan 0.000 0.437 388 D N -0.472 119.935 120.400 0.011 0.000 3.497 388 D HA -0.079 4.565 4.640 0.006 0.000 0.178 388 D C 0.400 176.707 176.300 0.011 0.000 1.185 388 D CA 2.432 56.439 54.000 0.013 0.000 1.091 388 D CB -1.561 39.249 40.800 0.015 0.000 0.574 388 D HN 1.532 nan 8.370 nan 0.000 0.650 389 G N -0.887 107.921 108.800 0.012 0.000 2.758 389 G HA2 0.387 4.351 3.960 0.006 0.000 0.686 389 G HA3 0.387 4.351 3.960 0.006 0.000 0.686 389 G C 0.047 174.952 174.900 0.007 0.000 1.389 389 G CA 0.462 45.568 45.100 0.010 0.000 0.845 389 G HN 1.501 nan 8.290 nan 0.000 0.572 390 A N 0.591 123.414 122.820 0.005 0.000 2.511 390 A HA 0.637 4.961 4.320 0.006 0.000 0.242 390 A C 1.541 179.125 177.584 0.000 0.000 1.069 390 A CA 0.811 52.849 52.037 0.003 0.000 0.763 390 A CB -0.183 18.817 19.000 -0.001 0.000 1.001 390 A HN 2.224 nan 8.150 nan 0.000 0.498 391 L N 0.855 122.080 121.223 0.002 0.000 3.713 391 L HA -0.191 4.153 4.340 0.006 0.000 0.499 391 L C 0.407 177.279 176.870 0.003 0.000 1.281 391 L CA 0.137 54.978 54.840 0.003 0.000 0.796 391 L CB -1.671 40.388 42.059 0.000 0.000 1.535 391 L HN 0.899 nan 8.230 nan 0.000 0.851 392 N N 1.090 119.794 118.700 0.007 0.000 2.401 392 N HA 0.137 4.881 4.740 0.006 0.000 0.255 392 N C 1.086 176.604 175.510 0.014 0.000 1.110 392 N CA 0.597 53.652 53.050 0.009 0.000 0.949 392 N CB 1.177 39.671 38.487 0.012 0.000 1.110 392 N HN 0.380 nan 8.380 nan 0.000 0.490 393 T N 0.153 114.714 114.554 0.012 0.000 3.163 393 T HA 0.252 4.606 4.350 0.006 0.000 0.252 393 T C 1.040 175.758 174.700 0.030 0.000 1.056 393 T CA -0.559 61.551 62.100 0.016 0.000 0.947 393 T CB -0.029 68.844 68.868 0.008 0.000 1.016 393 T HN 0.337 nan 8.240 nan 0.000 0.554 394 G N 0.220 109.042 108.800 0.035 0.000 2.611 394 G HA2 0.281 4.245 3.960 0.006 0.000 0.273 394 G HA3 0.281 4.245 3.960 0.006 0.000 0.273 394 G C -0.597 174.372 174.900 0.116 0.000 1.305 394 G CA -0.670 44.463 45.100 0.054 0.000 1.010 394 G HN 0.664 nan 8.290 nan 0.000 0.509 395 H N -0.390 118.675 119.070 -0.007 0.000 2.514 395 H HA 0.257 4.817 4.556 0.006 0.000 0.226 395 H C -0.548 174.775 175.328 -0.008 0.000 1.421 395 H CA -0.479 55.565 56.048 -0.006 0.000 1.394 395 H CB -0.017 29.741 29.762 -0.007 0.000 1.701 395 H HN 0.390 nan 8.280 nan 0.000 0.515 396 T N 1.508 115.971 114.554 -0.151 0.000 2.907 396 T HA 0.057 4.410 4.350 0.006 0.000 0.298 396 T C 1.487 176.029 174.700 -0.263 0.000 1.017 396 T CA 0.397 62.385 62.100 -0.187 0.000 1.118 396 T CB 1.493 70.316 68.868 -0.075 0.000 0.948 396 T HN 0.685 nan 8.240 nan 0.000 0.531 397 T N -1.411 112.998 114.554 -0.241 0.000 2.954 397 T HA 0.229 4.583 4.350 0.006 0.000 0.252 397 T C 1.104 175.748 174.700 -0.094 0.000 0.983 397 T CA -0.269 61.728 62.100 -0.172 0.000 0.941 397 T CB 0.248 69.006 68.868 -0.182 0.000 1.141 397 T HN 0.442 nan 8.240 nan 0.000 0.500 398 S N 0.341 115.985 115.700 -0.093 0.000 2.593 398 S HA 0.528 5.002 4.470 0.006 0.000 0.269 398 S C 1.420 175.992 174.600 -0.047 0.000 1.334 398 S CA 0.023 58.181 58.200 -0.070 0.000 1.015 398 S CB 0.636 63.783 63.200 -0.088 0.000 0.912 398 S HN 0.545 nan 8.310 nan 0.000 0.541 399 G N 1.401 110.183 108.800 -0.030 0.000 3.088 399 G HA2 0.249 4.213 3.960 0.006 0.000 0.217 399 G HA3 0.249 4.213 3.960 0.006 0.000 0.217 399 G C -0.273 174.632 174.900 0.009 0.000 1.159 399 G CA -0.109 44.997 45.100 0.010 0.000 0.760 399 G HN 0.590 nan 8.290 nan 0.000 0.550 400 V N 2.953 122.797 119.914 -0.116 0.000 2.270 400 V HA 0.153 4.277 4.120 0.006 0.000 0.263 400 V C 0.049 175.939 176.094 -0.341 0.000 1.066 400 V CA -0.710 61.357 62.300 -0.388 0.000 0.857 400 V CB 0.465 32.006 31.823 -0.470 0.000 1.099 400 V HN 0.466 nan 8.190 nan 0.000 0.476 401 N N 2.912 121.484 118.700 -0.213 0.000 2.275 401 N HA 0.113 4.857 4.740 0.006 0.000 0.236 401 N C -0.420 175.086 175.510 -0.006 0.000 1.154 401 N CA -0.376 52.626 53.050 -0.081 0.000 0.866 401 N CB 0.113 38.613 38.487 0.021 0.000 1.093 401 N HN 0.612 nan 8.380 nan 0.000 0.515 402 Y N -2.359 117.937 120.300 -0.007 0.000 2.570 402 Y HA 0.817 5.370 4.550 0.006 0.000 0.345 402 Y C -0.356 175.540 175.900 -0.007 0.000 1.014 402 Y CA -1.385 56.712 58.100 -0.006 0.000 1.063 402 Y CB 1.409 39.866 38.460 -0.005 0.000 1.272 402 Y HN -0.175 nan 8.280 nan 0.000 0.477 403 E N 2.639 122.927 120.200 0.147 0.000 2.272 403 E HA 0.477 4.831 4.350 0.006 0.000 0.269 403 E C -2.790 173.882 176.600 0.120 0.000 0.877 403 E CA -1.981 54.467 56.400 0.080 0.000 0.755 403 E CB 2.190 31.899 29.700 0.015 0.000 1.192 403 E HN 0.786 nan 8.360 nan 0.000 0.422 404 P HA 0.390 nan 4.420 nan 0.000 0.278 404 P C -1.046 176.348 177.300 0.158 0.000 1.266 404 P CA -0.599 62.552 63.100 0.085 0.000 0.807 404 P CB 1.059 32.793 31.700 0.056 0.000 1.094 405 S N -0.631 115.115 115.700 0.076 0.000 2.546 405 S HA 0.346 4.820 4.470 0.006 0.000 0.272 405 S C 0.543 175.169 174.600 0.044 0.000 1.140 405 S CA -0.883 57.377 58.200 0.100 0.000 0.920 405 S CB 1.119 64.255 63.200 -0.107 0.000 1.083 405 S HN 0.575 nan 8.310 nan 0.000 0.476 406 R N 3.849 124.385 120.500 0.061 0.000 2.317 406 R HA 0.310 4.654 4.340 0.006 0.000 0.208 406 R C 0.758 177.067 176.300 0.015 0.000 0.914 406 R CA 0.262 56.380 56.100 0.029 0.000 1.060 406 R CB -0.337 29.980 30.300 0.029 0.000 1.015 406 R HN 0.576 nan 8.270 nan 0.000 0.498 407 L N 0.319 121.550 121.223 0.015 0.000 2.200 407 L HA 0.172 4.516 4.340 0.006 0.000 0.200 407 L C 0.476 177.326 176.870 -0.033 0.000 1.072 407 L CA 0.853 55.692 54.840 -0.002 0.000 0.787 407 L CB 0.138 42.206 42.059 0.014 0.000 0.957 407 L HN 0.184 nan 8.230 nan 0.000 0.459 408 E N 1.126 121.286 120.200 -0.068 0.000 3.108 408 E HA 0.229 4.583 4.350 0.006 0.000 0.228 408 E C -2.382 174.159 176.600 -0.100 0.000 1.176 408 E CA -1.671 54.674 56.400 -0.091 0.000 0.881 408 E CB 1.206 30.830 29.700 -0.127 0.000 1.354 408 E HN 0.101 nan 8.360 nan 0.000 0.400 409 P HA 0.096 nan 4.420 nan 0.000 0.271 409 P C -0.544 176.724 177.300 -0.054 0.000 1.218 409 P CA -0.278 62.792 63.100 -0.049 0.000 0.780 409 P CB 0.852 32.536 31.700 -0.027 0.000 0.901 410 R N 2.266 122.737 120.500 -0.048 0.000 2.629 410 R HA 0.323 4.667 4.340 0.006 0.000 0.275 410 R C -2.104 174.177 176.300 -0.032 0.000 1.719 410 R CA -1.437 54.637 56.100 -0.044 0.000 1.472 410 R CB 1.054 31.324 30.300 -0.051 0.000 1.237 410 R HN 0.473 nan 8.270 nan 0.000 0.589 411 P HA 0.192 nan 4.420 nan 0.000 0.274 411 P C -0.405 176.878 177.300 -0.029 0.000 1.231 411 P CA -0.270 62.815 63.100 -0.026 0.000 0.790 411 P CB 1.223 32.909 31.700 -0.023 0.000 0.951 412 A N 1.513 124.314 122.820 -0.033 0.000 2.257 412 A HA 0.344 4.668 4.320 0.006 0.000 0.289 412 A C -0.065 177.493 177.584 -0.042 0.000 1.095 412 A CA -0.303 51.709 52.037 -0.042 0.000 0.836 412 A CB 0.057 19.024 19.000 -0.054 0.000 1.111 412 A HN 0.559 nan 8.150 nan 0.000 0.497 413 D N -0.455 119.916 120.400 -0.049 0.000 2.414 413 D HA 0.218 4.861 4.640 0.006 0.000 0.232 413 D C 0.058 176.326 176.300 -0.052 0.000 1.070 413 D CA -0.330 53.644 54.000 -0.043 0.000 0.839 413 D CB 0.869 41.646 40.800 -0.038 0.000 1.079 413 D HN 0.400 nan 8.370 nan 0.000 0.521 414 D N 2.667 123.040 120.400 -0.045 0.000 2.221 414 D HA -0.136 4.508 4.640 0.006 0.000 0.204 414 D C 1.233 177.506 176.300 -0.045 0.000 0.982 414 D CA 0.871 54.842 54.000 -0.048 0.000 0.857 414 D CB 0.467 41.245 40.800 -0.036 0.000 0.934 414 D HN 0.504 nan 8.370 nan 0.000 0.475 415 K N 0.231 120.609 120.400 -0.037 0.000 2.362 415 K HA -0.009 4.315 4.320 0.006 0.000 0.200 415 K C 1.555 178.134 176.600 -0.035 0.000 1.046 415 K CA 0.637 56.906 56.287 -0.031 0.000 0.952 415 K CB 0.217 32.703 32.500 -0.025 0.000 0.753 415 K HN -0.014 nan 8.250 nan 0.000 0.466 416 A N 1.193 123.983 122.820 -0.050 0.000 2.345 416 A HA 0.094 4.418 4.320 0.006 0.000 0.225 416 A C 0.131 177.655 177.584 -0.100 0.000 1.243 416 A CA -0.276 51.727 52.037 -0.056 0.000 0.875 416 A CB 0.029 18.995 19.000 -0.058 0.000 0.929 416 A HN 0.102 nan 8.150 nan 0.000 0.502 417 R N -0.236 120.198 120.500 -0.111 0.000 2.679 417 R HA 0.197 4.540 4.340 0.006 0.000 0.268 417 R C -0.770 175.483 176.300 -0.078 0.000 1.044 417 R CA 0.083 56.080 56.100 -0.172 0.000 1.105 417 R CB 0.179 30.416 30.300 -0.105 0.000 0.989 417 R HN 0.548 nan 8.270 nan 0.000 0.447 418 Y N 0.469 120.761 120.300 -0.013 0.000 2.511 418 Y HA -0.088 4.466 4.550 0.007 0.000 0.347 418 Y C 1.465 177.355 175.900 -0.017 0.000 1.257 418 Y CA -0.411 57.680 58.100 -0.015 0.000 1.469 418 Y CB 0.403 38.858 38.460 -0.009 0.000 1.353 418 Y HN 0.610 nan 8.280 nan 0.000 0.617 419 S N 0.796 116.588 115.700 0.154 0.000 2.593 419 S HA 0.194 4.668 4.470 0.006 0.000 0.269 419 S C -0.666 173.973 174.600 0.064 0.000 1.334 419 S CA -1.006 57.233 58.200 0.064 0.000 1.015 419 S CB 0.803 64.012 63.200 0.015 0.000 0.912 419 S HN 0.614 nan 8.310 nan 0.000 0.541 420 E N 0.593 120.816 120.200 0.038 0.000 2.156 420 E HA 0.452 4.806 4.350 0.006 0.000 0.279 420 E C -1.049 175.567 176.600 0.026 0.000 0.965 420 E CA -0.630 55.792 56.400 0.036 0.000 0.789 420 E CB 1.574 31.291 29.700 0.028 0.000 1.098 420 E HN 0.547 nan 8.360 nan 0.000 0.397 421 L N 4.767 126.008 121.223 0.030 0.000 2.307 421 L HA 0.471 4.815 4.340 0.006 0.000 0.284 421 L C -2.476 174.410 176.870 0.027 0.000 1.023 421 L CA -1.730 53.131 54.840 0.035 0.000 0.810 421 L CB 0.848 42.934 42.059 0.045 0.000 1.231 421 L HN 0.303 nan 8.230 nan 0.000 0.423 422 P HA 0.300 nan 4.420 nan 0.000 0.268 422 P C -1.138 176.171 177.300 0.014 0.000 1.204 422 P CA 0.042 63.151 63.100 0.015 0.000 0.768 422 P CB 0.567 32.274 31.700 0.010 0.000 0.842 423 L N 1.538 122.767 121.223 0.010 0.000 2.303 423 L HA 0.787 5.131 4.340 0.006 0.000 0.266 423 L C 0.281 177.153 176.870 0.003 0.000 1.011 423 L CA -0.540 54.304 54.840 0.007 0.000 0.818 423 L CB 1.970 44.034 42.059 0.008 0.000 1.326 423 L HN 0.539 nan 8.230 nan 0.000 0.435 424 S N -0.505 115.197 115.700 0.002 0.000 2.578 424 S HA 0.867 5.340 4.470 0.006 0.000 0.272 424 S C -0.436 174.164 174.600 -0.000 0.000 1.145 424 S CA -0.115 58.085 58.200 -0.000 0.000 0.835 424 S CB 1.638 64.836 63.200 -0.003 0.000 1.104 424 S HN 1.458 nan 8.310 nan 0.000 0.458 425 G N 0.912 109.712 108.800 -0.000 0.000 2.466 425 G HA2 0.316 4.280 3.960 0.006 0.000 0.218 425 G HA3 0.316 4.280 3.960 0.006 0.000 0.218 425 G C -0.085 174.816 174.900 0.001 0.000 1.237 425 G CA 0.496 45.596 45.100 0.000 0.000 0.954 425 G HN 2.489 nan 8.290 nan 0.000 0.580 426 T N -2.723 111.832 114.554 0.002 0.000 2.838 426 T HA 0.789 5.143 4.350 0.006 0.000 0.292 426 T C 0.468 175.169 174.700 0.002 0.000 1.113 426 T CA 0.739 62.840 62.100 0.002 0.000 1.008 426 T CB 1.259 70.128 68.868 0.002 0.000 1.259 426 T HN 2.154 nan 8.240 nan 0.000 0.520 427 T N 0.385 114.939 114.554 0.001 0.000 2.926 427 T HA 0.521 4.875 4.350 0.006 0.000 0.307 427 T C -0.158 174.543 174.700 0.002 0.000 1.059 427 T CA -0.515 61.585 62.100 0.000 0.000 1.122 427 T CB 0.253 69.120 68.868 -0.001 0.000 0.972 427 T HN 1.072 nan 8.240 nan 0.000 0.545 428 Q N 0.694 120.495 119.800 0.003 0.000 2.575 428 Q HA 0.472 4.816 4.340 0.006 0.000 0.290 428 Q C -1.843 174.161 176.000 0.007 0.000 0.963 428 Q CA -1.206 54.601 55.803 0.006 0.000 0.783 428 Q CB 1.633 30.375 28.738 0.007 0.000 1.467 428 Q HN 0.663 nan 8.270 nan 0.000 0.402 429 Q N 0.239 120.045 119.800 0.010 0.000 2.558 429 Q HA 0.762 5.106 4.340 0.006 0.000 0.252 429 Q C -1.648 174.362 176.000 0.018 0.000 1.015 429 Q CA -0.444 55.368 55.803 0.014 0.000 0.720 429 Q CB 2.043 30.789 28.738 0.013 0.000 1.215 429 Q HN 0.672 nan 8.270 nan 0.000 0.500 430 A N 2.003 124.835 122.820 0.021 0.000 2.555 430 A HA 0.486 4.810 4.320 0.006 0.000 0.297 430 A C -1.017 176.583 177.584 0.027 0.000 1.060 430 A CA -1.123 50.928 52.037 0.023 0.000 0.710 430 A CB 1.011 20.023 19.000 0.019 0.000 1.282 430 A HN 0.606 nan 8.150 nan 0.000 0.399 431 K N 2.528 122.947 120.400 0.031 0.000 2.380 431 K HA 0.436 4.760 4.320 0.006 0.000 0.267 431 K C 0.450 177.070 176.600 0.033 0.000 0.990 431 K CA -0.182 56.127 56.287 0.036 0.000 0.946 431 K CB 0.281 32.803 32.500 0.037 0.000 0.937 431 K HN 0.802 nan 8.250 nan 0.000 0.491 432 I N -0.753 119.839 120.570 0.038 0.000 2.993 432 I HA -0.073 4.101 4.170 0.006 0.000 0.286 432 I C 1.201 177.338 176.117 0.033 0.000 1.215 432 I CA -0.245 61.076 61.300 0.036 0.000 1.393 432 I CB 0.701 38.728 38.000 0.046 0.000 1.371 432 I HN 0.933 nan 8.210 nan 0.000 0.602 433 T N 0.981 115.552 114.554 0.029 0.000 2.976 433 T HA 0.112 4.466 4.350 0.006 0.000 0.257 433 T C 1.093 175.815 174.700 0.036 0.000 1.051 433 T CA 0.227 62.344 62.100 0.028 0.000 1.141 433 T CB -0.164 68.716 68.868 0.020 0.000 0.881 433 T HN 0.663 nan 8.240 nan 0.000 0.461 434 R N 1.730 122.258 120.500 0.047 0.000 3.171 434 R HA 0.362 4.705 4.340 0.006 0.000 0.241 434 R C 0.873 177.221 176.300 0.080 0.000 1.421 434 R CA -0.171 55.968 56.100 0.065 0.000 1.444 434 R CB 0.379 30.722 30.300 0.072 0.000 1.247 434 R HN 0.509 nan 8.270 nan 0.000 0.636 435 E N 1.310 121.537 120.200 0.046 0.000 2.047 435 E HA -0.231 4.123 4.350 0.006 0.000 0.191 435 E C 0.098 176.691 176.600 -0.011 0.000 0.987 435 E CA 0.485 56.892 56.400 0.012 0.000 0.799 435 E CB 0.124 29.803 29.700 -0.035 0.000 0.752 435 E HN 0.440 nan 8.360 nan 0.000 0.449 436 Q N 0.789 120.584 119.800 -0.007 0.000 2.437 436 Q HA -0.220 4.123 4.340 0.006 0.000 0.354 436 Q C -0.181 175.723 176.000 -0.161 0.000 1.402 436 Q CA -0.108 55.683 55.803 -0.020 0.000 1.020 436 Q CB -0.780 27.993 28.738 0.058 0.000 1.220 436 Q HN 0.219 nan 8.270 nan 0.000 0.368 437 N N -0.098 118.362 118.700 -0.400 0.000 2.457 437 N HA -0.010 4.734 4.740 0.006 0.000 0.180 437 N C 0.519 175.572 175.510 -0.762 0.000 1.050 437 N CA 1.115 53.732 53.050 -0.722 0.000 0.906 437 N CB 0.069 37.846 38.487 -1.183 0.000 0.968 437 N HN 0.498 nan 8.380 nan 0.000 0.445 438 F N 0.349 120.285 119.950 -0.023 0.000 2.680 438 F HA 0.254 4.784 4.527 0.006 0.000 0.290 438 F C 2.182 177.980 175.800 -0.003 0.000 1.114 438 F CA -0.374 57.623 58.000 -0.006 0.000 1.333 438 F CB 0.131 39.135 39.000 0.005 0.000 1.091 438 F HN -0.172 nan 8.300 nan 0.000 0.606 439 K N 1.085 121.569 120.400 0.140 0.000 2.032 439 K HA -0.236 4.088 4.320 0.006 0.000 0.209 439 K C 1.838 178.450 176.600 0.021 0.000 1.048 439 K CA 1.947 58.279 56.287 0.074 0.000 0.927 439 K CB -0.225 32.305 32.500 0.050 0.000 0.712 439 K HN 0.287 nan 8.250 nan 0.000 0.441 440 Q N -0.450 119.328 119.800 -0.037 0.000 2.224 440 Q HA -0.091 4.253 4.340 0.006 0.000 0.203 440 Q C 2.093 178.072 176.000 -0.035 0.000 0.970 440 Q CA 1.107 56.864 55.803 -0.076 0.000 0.865 440 Q CB -0.032 28.611 28.738 -0.158 0.000 0.922 440 Q HN 0.503 nan 8.270 nan 0.000 0.445 441 A N 0.715 123.550 122.820 0.025 0.000 1.898 441 A HA -0.082 4.242 4.320 0.006 0.000 0.216 441 A C 2.254 179.898 177.584 0.100 0.000 1.181 441 A CA 1.545 53.637 52.037 0.091 0.000 0.620 441 A CB -1.052 18.066 19.000 0.197 0.000 0.819 441 A HN 0.465 nan 8.150 nan 0.000 0.442 442 G N -0.089 108.772 108.800 0.103 0.000 2.418 442 G HA2 -0.249 3.715 3.960 0.006 0.000 0.217 442 G HA3 -0.249 3.715 3.960 0.006 0.000 0.217 442 G C 1.140 176.064 174.900 0.040 0.000 1.158 442 G CA 1.268 46.416 45.100 0.079 0.000 0.771 442 G HN 0.433 nan 8.290 nan 0.000 0.545 443 D N 0.194 120.593 120.400 -0.001 0.000 2.103 443 D HA -0.136 4.508 4.640 0.006 0.000 0.190 443 D C 2.393 178.626 176.300 -0.112 0.000 0.997 443 D CA 0.813 54.788 54.000 -0.042 0.000 0.833 443 D CB -0.616 40.154 40.800 -0.051 0.000 0.961 443 D HN 0.173 nan 8.370 nan 0.000 0.447 444 L N 0.083 121.212 121.223 -0.156 0.000 1.978 444 L HA -0.258 4.086 4.340 0.006 0.000 0.218 444 L C 2.301 178.822 176.870 -0.582 0.000 1.075 444 L CA 1.767 56.401 54.840 -0.344 0.000 0.767 444 L CB -1.191 40.712 42.059 -0.261 0.000 0.890 444 L HN 0.164 nan 8.230 nan 0.000 0.434 445 Y N 0.357 120.365 120.300 -0.487 0.000 2.081 445 Y HA -0.338 4.216 4.550 0.006 0.000 0.280 445 Y C 2.707 178.440 175.900 -0.278 0.000 1.163 445 Y CA 2.312 60.158 58.100 -0.423 0.000 1.135 445 Y CB -0.230 38.007 38.460 -0.372 0.000 0.970 445 Y HN 0.181 nan 8.280 nan 0.000 0.498 446 R N -0.129 120.366 120.500 -0.007 0.000 2.159 446 R HA -0.138 4.206 4.340 0.006 0.000 0.237 446 R C 2.344 178.567 176.300 -0.127 0.000 1.131 446 R CA 1.410 57.490 56.100 -0.033 0.000 0.982 446 R CB -0.548 29.773 30.300 0.035 0.000 0.868 446 R HN 0.501 nan 8.270 nan 0.000 0.453 447 S N -0.662 114.914 115.700 -0.207 0.000 2.607 447 S HA -0.029 4.445 4.470 0.006 0.000 0.224 447 S C 0.481 175.015 174.600 -0.110 0.000 0.969 447 S CA -0.073 58.028 58.200 -0.165 0.000 0.927 447 S CB -0.186 62.900 63.200 -0.190 0.000 0.772 447 S HN 0.222 nan 8.310 nan 0.000 0.533 448 Y N 3.160 123.359 120.300 -0.168 0.000 2.304 448 Y HA 0.338 4.892 4.550 0.006 0.000 0.327 448 Y C 1.436 177.236 175.900 -0.168 0.000 1.209 448 Y CA -0.757 57.233 58.100 -0.183 0.000 1.299 448 Y CB 0.873 39.168 38.460 -0.275 0.000 1.249 448 Y HN 0.285 nan 8.280 nan 0.000 0.519 449 S N 1.333 117.069 115.700 0.059 0.000 2.606 449 S HA 0.193 4.666 4.470 0.006 0.000 0.257 449 S C 1.175 175.750 174.600 -0.041 0.000 1.327 449 S CA -0.325 57.872 58.200 -0.005 0.000 0.984 449 S CB 1.064 64.259 63.200 -0.008 0.000 0.941 449 S HN 0.839 nan 8.310 nan 0.000 0.576 450 A N 0.684 123.482 122.820 -0.038 0.000 1.930 450 A HA -0.065 4.258 4.320 0.006 0.000 0.217 450 A C 2.195 179.752 177.584 -0.045 0.000 1.175 450 A CA 1.674 53.685 52.037 -0.042 0.000 0.627 450 A CB -0.915 18.072 19.000 -0.021 0.000 0.815 450 A HN 0.927 nan 8.150 nan 0.000 0.443 451 K N -0.051 120.324 120.400 -0.041 0.000 2.002 451 K HA -0.211 4.113 4.320 0.006 0.000 0.209 451 K C 1.895 178.451 176.600 -0.072 0.000 1.048 451 K CA 1.843 58.104 56.287 -0.043 0.000 0.930 451 K CB -0.224 32.253 32.500 -0.037 0.000 0.714 451 K HN 0.603 nan 8.250 nan 0.000 0.438 452 E N 0.407 120.541 120.200 -0.110 0.000 2.110 452 E HA -0.178 4.175 4.350 0.006 0.000 0.193 452 E C 2.044 178.501 176.600 -0.237 0.000 0.988 452 E CA 1.333 57.601 56.400 -0.219 0.000 0.804 452 E CB 0.076 29.580 29.700 -0.327 0.000 0.745 452 E HN 0.275 nan 8.360 nan 0.000 0.458 453 K N 0.062 120.355 120.400 -0.178 0.000 2.057 453 K HA -0.104 4.220 4.320 0.006 0.000 0.207 453 K C 2.270 178.847 176.600 -0.039 0.000 1.049 453 K CA 1.549 57.726 56.287 -0.183 0.000 0.931 453 K CB -0.135 32.200 32.500 -0.274 0.000 0.714 453 K HN 0.055 nan 8.250 nan 0.000 0.440 454 T N 1.336 115.877 114.554 -0.021 0.000 2.821 454 T HA -0.107 4.247 4.350 0.006 0.000 0.267 454 T C 1.252 175.977 174.700 0.042 0.000 1.046 454 T CA 1.315 63.432 62.100 0.029 0.000 1.139 454 T CB -0.195 68.684 68.868 0.017 0.000 0.871 454 T HN 0.174 nan 8.240 nan 0.000 0.454 455 D N 1.074 121.479 120.400 0.009 0.000 2.097 455 D HA -0.055 4.589 4.640 0.006 0.000 0.195 455 D C 2.115 178.464 176.300 0.080 0.000 0.989 455 D CA 0.681 54.699 54.000 0.029 0.000 0.827 455 D CB -0.502 40.291 40.800 -0.012 0.000 0.966 455 D HN 0.221 nan 8.370 nan 0.000 0.456 456 L N 0.845 122.101 121.223 0.054 0.000 1.990 456 L HA -0.174 4.170 4.340 0.006 0.000 0.213 456 L C 2.252 179.300 176.870 0.296 0.000 1.072 456 L CA 1.550 56.489 54.840 0.166 0.000 0.755 456 L CB -0.754 41.368 42.059 0.104 0.000 0.889 456 L HN -0.120 nan 8.230 nan 0.000 0.432 457 V N -0.352 119.717 119.914 0.259 0.000 2.392 457 V HA -0.326 3.798 4.120 0.006 0.000 0.249 457 V C 2.698 178.911 176.094 0.199 0.000 1.059 457 V CA 2.023 64.487 62.300 0.275 0.000 1.051 457 V CB -0.610 31.352 31.823 0.231 0.000 0.658 457 V HN 0.652 nan 8.190 nan 0.000 0.455 458 Q N 0.161 120.055 119.800 0.157 0.000 2.049 458 Q HA -0.172 4.171 4.340 0.006 0.000 0.198 458 Q C 2.160 178.247 176.000 0.145 0.000 0.971 458 Q CA 1.811 57.688 55.803 0.123 0.000 0.833 458 Q CB -0.191 28.604 28.738 0.096 0.000 0.896 458 Q HN 0.568 nan 8.270 nan 0.000 0.434 459 K N -0.701 119.812 120.400 0.189 0.000 2.026 459 K HA -0.113 4.211 4.320 0.006 0.000 0.208 459 K C 1.918 178.625 176.600 0.179 0.000 1.048 459 K CA 1.572 58.000 56.287 0.235 0.000 0.929 459 K CB -0.404 32.290 32.500 0.325 0.000 0.713 459 K HN 0.206 nan 8.250 nan 0.000 0.439 460 F N 0.779 120.709 119.950 -0.035 0.000 2.095 460 F HA -0.212 4.318 4.527 0.005 0.000 0.298 460 F C 2.236 177.869 175.800 -0.278 0.000 1.104 460 F CA 1.125 58.883 58.000 -0.403 0.000 1.232 460 F CB -0.270 38.638 39.000 -0.153 0.000 0.987 460 F HN 0.159 nan 8.300 nan 0.000 0.475 461 G N -0.386 108.488 108.800 0.123 0.000 2.446 461 G HA2 -0.270 3.694 3.960 0.006 0.000 0.217 461 G HA3 -0.270 3.694 3.960 0.006 0.000 0.217 461 G C 1.384 176.303 174.900 0.032 0.000 1.168 461 G CA 0.988 46.100 45.100 0.020 0.000 0.771 461 G HN 0.391 nan 8.290 nan 0.000 0.551 462 E N 0.067 120.310 120.200 0.072 0.000 2.077 462 E HA -0.106 4.248 4.350 0.006 0.000 0.193 462 E C 2.709 179.373 176.600 0.107 0.000 0.989 462 E CA 1.035 57.485 56.400 0.084 0.000 0.800 462 E CB -0.146 29.614 29.700 0.101 0.000 0.746 462 E HN 0.407 nan 8.360 nan 0.000 0.452 463 S N 0.581 116.355 115.700 0.125 0.000 2.368 463 S HA -0.067 4.407 4.470 0.006 0.000 0.224 463 S C 1.888 176.643 174.600 0.258 0.000 1.029 463 S CA 0.592 58.926 58.200 0.224 0.000 0.988 463 S CB -0.060 63.286 63.200 0.243 0.000 0.838 463 S HN 0.223 nan 8.310 nan 0.000 0.462 464 L N 0.942 122.196 121.223 0.052 0.000 2.376 464 L HA 0.027 4.371 4.340 0.006 0.000 0.219 464 L C 2.635 179.486 176.870 -0.031 0.000 1.133 464 L CA 0.844 55.602 54.840 -0.136 0.000 0.816 464 L CB -0.788 41.057 42.059 -0.356 0.000 0.933 464 L HN 0.452 nan 8.230 nan 0.000 0.449 465 A N 1.310 124.137 122.820 0.012 0.000 1.909 465 A HA -0.305 4.019 4.320 0.006 0.000 0.221 465 A C 1.443 179.043 177.584 0.027 0.000 1.223 465 A CA 2.537 54.583 52.037 0.015 0.000 0.658 465 A CB -0.751 18.270 19.000 0.035 0.000 0.831 465 A HN 0.691 nan 8.150 nan 0.000 0.462 466 D N -1.990 118.448 120.400 0.062 0.000 2.388 466 D HA 0.197 4.841 4.640 0.006 0.000 0.221 466 D C 0.235 176.579 176.300 0.074 0.000 1.133 466 D CA 0.228 54.264 54.000 0.059 0.000 0.831 466 D CB -0.703 40.135 40.800 0.063 0.000 0.962 466 D HN 0.168 nan 8.370 nan 0.000 0.502 467 T N 1.062 115.669 114.554 0.088 0.000 2.903 467 T HA 0.246 4.600 4.350 0.006 0.000 0.314 467 T C 0.642 175.377 174.700 0.058 0.000 1.078 467 T CA -0.611 61.556 62.100 0.112 0.000 1.114 467 T CB 0.366 69.313 68.868 0.131 0.000 0.987 467 T HN 0.312 nan 8.240 nan 0.000 0.548 468 L N 1.478 122.738 121.223 0.060 0.000 2.525 468 L HA 0.197 4.541 4.340 0.006 0.000 0.278 468 L C 1.463 178.334 176.870 0.001 0.000 1.218 468 L CA -0.077 54.781 54.840 0.030 0.000 0.878 468 L CB -0.518 41.564 42.059 0.038 0.000 1.127 468 L HN 0.581 nan 8.230 nan 0.000 0.492 469 T N 0.708 115.253 114.554 -0.015 0.000 2.624 469 T HA -0.273 4.081 4.350 0.006 0.000 0.268 469 T C 1.467 176.132 174.700 -0.058 0.000 1.041 469 T CA 2.133 64.209 62.100 -0.041 0.000 1.159 469 T CB -0.340 68.505 68.868 -0.039 0.000 0.863 469 T HN 0.912 nan 8.240 nan 0.000 0.434 470 E N 0.645 120.816 120.200 -0.048 0.000 2.049 470 E HA -0.177 4.177 4.350 0.006 0.000 0.198 470 E C 2.412 178.957 176.600 -0.092 0.000 1.007 470 E CA 1.580 57.940 56.400 -0.066 0.000 0.809 470 E CB -0.143 29.530 29.700 -0.046 0.000 0.749 470 E HN 0.404 nan 8.360 nan 0.000 0.450 471 S N 0.580 116.244 115.700 -0.061 0.000 2.368 471 S HA -0.175 4.299 4.470 0.006 0.000 0.225 471 S C 1.822 176.369 174.600 -0.089 0.000 1.030 471 S CA 1.310 59.474 58.200 -0.061 0.000 0.999 471 S CB -0.259 62.967 63.200 0.044 0.000 0.844 471 S HN 0.268 nan 8.310 nan 0.000 0.459 472 K N 1.419 121.771 120.400 -0.081 0.000 2.032 472 K HA -0.137 4.187 4.320 0.006 0.000 0.209 472 K C 1.576 178.054 176.600 -0.203 0.000 1.048 472 K CA 1.467 57.669 56.287 -0.141 0.000 0.927 472 K CB -0.221 32.214 32.500 -0.110 0.000 0.712 472 K HN 0.178 nan 8.250 nan 0.000 0.441 473 N N 0.990 119.580 118.700 -0.183 0.000 2.244 473 N HA -0.092 4.652 4.740 0.006 0.000 0.183 473 N C 1.919 177.262 175.510 -0.279 0.000 1.016 473 N CA 1.083 54.005 53.050 -0.213 0.000 0.866 473 N CB -0.145 38.239 38.487 -0.172 0.000 0.980 473 N HN 0.290 nan 8.380 nan 0.000 0.430 474 I N 0.603 120.994 120.570 -0.298 0.000 2.202 474 I HA -0.212 3.962 4.170 0.006 0.000 0.242 474 I C 2.109 177.808 176.117 -0.697 0.000 1.091 474 I CA 0.805 61.831 61.300 -0.457 0.000 1.368 474 I CB -0.171 37.597 38.000 -0.387 0.000 1.058 474 I HN 0.033 nan 8.210 nan 0.000 0.410 475 M N 0.369 119.687 119.600 -0.469 0.000 2.108 475 M HA -0.193 4.291 4.480 0.006 0.000 0.261 475 M C 2.472 178.532 176.300 -0.400 0.000 1.066 475 M CA 1.898 56.974 55.300 -0.374 0.000 1.107 475 M CB -1.177 31.303 32.600 -0.200 0.000 1.356 475 M HN 0.256 nan 8.290 nan 0.000 0.406 476 L N -0.005 120.981 121.223 -0.395 0.000 2.012 476 L HA -0.254 4.090 4.340 0.006 0.000 0.210 476 L C 2.753 179.441 176.870 -0.302 0.000 1.073 476 L CA 1.711 56.331 54.840 -0.367 0.000 0.748 476 L CB -1.023 40.849 42.059 -0.310 0.000 0.891 476 L HN 0.428 nan 8.230 nan 0.000 0.431 477 S N -0.496 115.007 115.700 -0.328 0.000 2.365 477 S HA -0.287 4.187 4.470 0.006 0.000 0.225 477 S C 2.002 176.509 174.600 -0.154 0.000 1.039 477 S CA 1.437 59.485 58.200 -0.252 0.000 1.033 477 S CB -1.109 61.923 63.200 -0.279 0.000 0.887 477 S HN 0.483 nan 8.310 nan 0.000 0.447 478 Y N 1.839 122.043 120.300 -0.160 0.000 2.128 478 Y HA -0.094 4.460 4.550 0.007 0.000 0.284 478 Y C 2.634 178.434 175.900 -0.167 0.000 1.154 478 Y CA 1.042 59.077 58.100 -0.108 0.000 1.149 478 Y CB -0.450 38.133 38.460 0.205 0.000 0.976 478 Y HN 0.236 nan 8.280 nan 0.000 0.505 479 L N -1.390 119.753 121.223 -0.133 0.000 2.056 479 L HA -0.258 4.086 4.340 0.006 0.000 0.207 479 L C 2.386 179.051 176.870 -0.340 0.000 1.078 479 L CA 1.452 56.012 54.840 -0.466 0.000 0.749 479 L CB -0.787 40.691 42.059 -0.969 0.000 0.901 479 L HN 0.276 nan 8.230 nan 0.000 0.433 480 Y N 1.369 121.460 120.300 -0.349 0.000 2.224 480 Y HA -0.309 4.245 4.550 0.006 0.000 0.289 480 Y C 2.680 178.445 175.900 -0.225 0.000 1.146 480 Y CA 1.891 59.834 58.100 -0.262 0.000 1.182 480 Y CB 0.035 38.353 38.460 -0.237 0.000 0.983 480 Y HN -0.008 nan 8.280 nan 0.000 0.524 481 K N 0.821 121.131 120.400 -0.151 0.000 2.148 481 K HA -0.095 4.229 4.320 0.006 0.000 0.204 481 K C 2.164 178.642 176.600 -0.204 0.000 1.050 481 K CA 1.728 57.843 56.287 -0.286 0.000 0.942 481 K CB -0.413 31.669 32.500 -0.698 0.000 0.724 481 K HN 0.441 nan 8.250 nan 0.000 0.446 482 E N 0.556 120.702 120.200 -0.091 0.000 2.047 482 E HA -0.087 4.266 4.350 0.006 0.000 0.191 482 E C 0.325 176.903 176.600 -0.037 0.000 0.987 482 E CA 1.624 58.062 56.400 0.063 0.000 0.799 482 E CB -0.258 29.564 29.700 0.203 0.000 0.752 482 E HN 0.468 nan 8.360 nan 0.000 0.449 483 D N -2.181 118.128 120.400 -0.152 0.000 2.688 483 D HA 0.154 4.798 4.640 0.006 0.000 0.210 483 D C -2.524 173.521 176.300 -0.425 0.000 1.333 483 D CA -1.319 52.531 54.000 -0.250 0.000 0.920 483 D CB 2.009 42.648 40.800 -0.269 0.000 1.554 483 D HN -0.188 nan 8.370 nan 0.000 0.579 484 P HA -0.130 nan 4.420 nan 0.000 0.217 484 P C 1.105 178.154 177.300 -0.420 0.000 1.148 484 P CA 1.031 63.578 63.100 -0.922 0.000 0.828 484 P CB 0.223 31.504 31.700 -0.699 0.000 0.783 485 N N -1.910 116.652 118.700 -0.231 0.000 2.300 485 N HA -0.168 4.576 4.740 0.006 0.000 0.179 485 N C 1.798 177.284 175.510 -0.040 0.000 1.016 485 N CA 0.363 53.377 53.050 -0.061 0.000 0.876 485 N CB -0.271 38.248 38.487 0.053 0.000 0.979 485 N HN -0.055 nan 8.380 nan 0.000 0.432 486 Y N 1.863 121.852 120.300 -0.518 0.000 2.089 486 Y HA -0.032 4.522 4.550 0.006 0.000 0.282 486 Y C 2.406 178.149 175.900 -0.261 0.000 1.139 486 Y CA 1.867 59.611 58.100 -0.594 0.000 1.123 486 Y CB -1.095 36.690 38.460 -1.126 0.000 0.980 486 Y HN 0.034 nan 8.280 nan 0.000 0.493 487 G N -0.810 107.848 108.800 -0.237 0.000 2.529 487 G HA2 -0.328 3.636 3.960 0.006 0.000 0.219 487 G HA3 -0.328 3.636 3.960 0.006 0.000 0.219 487 G C 1.688 176.572 174.900 -0.027 0.000 1.177 487 G CA 1.980 46.981 45.100 -0.165 0.000 0.773 487 G HN 0.462 nan 8.290 nan 0.000 0.573 488 T N 0.526 115.123 114.554 0.071 0.000 2.708 488 T HA -0.071 4.283 4.350 0.006 0.000 0.266 488 T C 2.486 177.202 174.700 0.026 0.000 1.037 488 T CA 1.252 63.396 62.100 0.073 0.000 1.146 488 T CB -0.156 68.771 68.868 0.099 0.000 0.865 488 T HN 0.276 nan 8.240 nan 0.000 0.435 489 R N 0.336 120.865 120.500 0.048 0.000 2.115 489 R HA 0.031 4.375 4.340 0.006 0.000 0.230 489 R C 2.364 178.686 176.300 0.037 0.000 1.111 489 R CA 0.741 56.882 56.100 0.069 0.000 0.976 489 R CB -0.384 30.001 30.300 0.142 0.000 0.870 489 R HN 0.247 nan 8.270 nan 0.000 0.445 490 V N 0.548 120.451 119.914 -0.018 0.000 2.788 490 V HA -0.056 4.068 4.120 0.006 0.000 0.251 490 V C 2.245 178.258 176.094 -0.136 0.000 1.068 490 V CA 1.482 63.724 62.300 -0.096 0.000 1.090 490 V CB -0.095 31.561 31.823 -0.277 0.000 0.710 490 V HN 0.329 nan 8.190 nan 0.000 0.467 491 A N 0.295 123.035 122.820 -0.135 0.000 2.019 491 A HA -0.154 4.170 4.320 0.006 0.000 0.219 491 A C 2.256 179.791 177.584 -0.082 0.000 1.164 491 A CA 2.002 53.961 52.037 -0.130 0.000 0.644 491 A CB -0.517 18.407 19.000 -0.126 0.000 0.805 491 A HN 0.604 nan 8.150 nan 0.000 0.449 492 E N -0.381 119.790 120.200 -0.048 0.000 2.006 492 E HA -0.086 4.267 4.350 0.006 0.000 0.192 492 E C 2.072 178.659 176.600 -0.021 0.000 0.993 492 E CA 1.678 58.063 56.400 -0.025 0.000 0.808 492 E CB -1.331 28.368 29.700 -0.002 0.000 0.764 492 E HN 0.415 nan 8.360 nan 0.000 0.449 493 V N 1.199 121.106 119.914 -0.012 0.000 2.282 493 V HA -0.169 3.955 4.120 0.006 0.000 0.249 493 V C 2.851 178.935 176.094 -0.016 0.000 1.057 493 V CA 2.116 64.415 62.300 -0.001 0.000 1.032 493 V CB -0.899 30.935 31.823 0.018 0.000 0.645 493 V HN 0.663 nan 8.190 nan 0.000 0.447 494 A N -1.427 121.364 122.820 -0.048 0.000 2.238 494 A HA 0.034 4.358 4.320 0.006 0.000 0.208 494 A C 1.005 178.555 177.584 -0.058 0.000 1.177 494 A CA 0.263 52.264 52.037 -0.061 0.000 0.804 494 A CB -0.179 18.749 19.000 -0.119 0.000 0.823 494 A HN 0.437 nan 8.150 nan 0.000 0.482 495 K N -0.990 119.379 120.400 -0.053 0.000 3.162 495 K HA -0.140 4.184 4.320 0.006 0.000 0.268 495 K C 0.379 176.939 176.600 -0.067 0.000 1.062 495 K CA 0.814 57.071 56.287 -0.049 0.000 0.769 495 K CB -2.631 29.850 32.500 -0.032 0.000 1.274 495 K HN 0.683 nan 8.250 nan 0.000 0.478 496 G N 0.039 108.785 108.800 -0.090 0.000 2.557 496 G HA2 0.381 4.344 3.960 0.006 0.000 0.292 496 G HA3 0.381 4.344 3.960 0.006 0.000 0.292 496 G C -0.785 174.054 174.900 -0.102 0.000 1.237 496 G CA -0.332 44.702 45.100 -0.111 0.000 0.978 496 G HN 0.204 nan 8.290 nan 0.000 0.498 497 D N 0.466 120.798 120.400 -0.113 0.000 2.467 497 D HA 0.126 4.770 4.640 0.006 0.000 0.220 497 D C 1.451 177.670 176.300 -0.135 0.000 1.103 497 D CA -0.719 53.217 54.000 -0.106 0.000 0.886 497 D CB 1.119 41.862 40.800 -0.095 0.000 1.025 497 D HN 0.046 nan 8.370 nan 0.000 0.514 498 L N 3.829 124.975 121.223 -0.130 0.000 2.051 498 L HA -0.255 4.089 4.340 0.006 0.000 0.214 498 L C 2.330 179.082 176.870 -0.197 0.000 1.076 498 L CA 2.451 57.194 54.840 -0.162 0.000 0.758 498 L CB -0.810 41.181 42.059 -0.112 0.000 0.890 498 L HN 0.553 nan 8.230 nan 0.000 0.433 499 S N -1.568 114.044 115.700 -0.147 0.000 2.368 499 S HA -0.243 4.230 4.470 0.006 0.000 0.224 499 S C 2.116 176.616 174.600 -0.166 0.000 1.029 499 S CA 1.192 59.305 58.200 -0.144 0.000 0.988 499 S CB -0.443 62.697 63.200 -0.099 0.000 0.838 499 S HN 0.368 nan 8.310 nan 0.000 0.462 500 K N 1.514 121.820 120.400 -0.156 0.000 2.057 500 K HA 0.105 4.429 4.320 0.006 0.000 0.206 500 K C 1.927 178.399 176.600 -0.212 0.000 1.050 500 K CA 1.441 57.634 56.287 -0.157 0.000 0.935 500 K CB -1.048 31.373 32.500 -0.132 0.000 0.715 500 K HN 0.294 nan 8.250 nan 0.000 0.439 501 V N 1.409 121.167 119.914 -0.261 0.000 2.255 501 V HA -0.312 3.812 4.120 0.006 0.000 0.247 501 V C 2.153 177.961 176.094 -0.476 0.000 1.051 501 V CA 2.219 64.310 62.300 -0.348 0.000 1.018 501 V CB -0.440 31.168 31.823 -0.359 0.000 0.641 501 V HN 0.361 nan 8.190 nan 0.000 0.445 502 K N 0.730 120.785 120.400 -0.576 0.000 2.057 502 K HA -0.168 4.156 4.320 0.006 0.000 0.207 502 K C 2.409 178.826 176.600 -0.305 0.000 1.049 502 K CA 1.834 57.753 56.287 -0.612 0.000 0.931 502 K CB -0.388 31.833 32.500 -0.465 0.000 0.714 502 K HN 0.657 nan 8.250 nan 0.000 0.440 503 S N 1.221 116.791 115.700 -0.217 0.000 2.387 503 S HA -0.065 4.409 4.470 0.006 0.000 0.226 503 S C 2.075 176.601 174.600 -0.123 0.000 1.026 503 S CA 0.634 58.752 58.200 -0.136 0.000 0.972 503 S CB -0.502 62.635 63.200 -0.105 0.000 0.814 503 S HN 0.164 nan 8.310 nan 0.000 0.477 504 L N 1.422 122.555 121.223 -0.151 0.000 2.046 504 L HA -0.036 4.308 4.340 0.006 0.000 0.208 504 L C 3.197 180.000 176.870 -0.112 0.000 1.077 504 L CA 1.240 56.004 54.840 -0.125 0.000 0.747 504 L CB -0.791 41.174 42.059 -0.157 0.000 0.896 504 L HN 0.487 nan 8.230 nan 0.000 0.432 505 A N -0.120 122.610 122.820 -0.150 0.000 1.972 505 A HA -0.174 4.150 4.320 0.006 0.000 0.219 505 A C 2.541 180.093 177.584 -0.053 0.000 1.169 505 A CA 1.566 53.543 52.037 -0.100 0.000 0.635 505 A CB -0.653 18.326 19.000 -0.035 0.000 0.810 505 A HN 0.415 nan 8.150 nan 0.000 0.446 506 A N -0.322 122.467 122.820 -0.053 0.000 1.873 506 A HA -0.164 4.159 4.320 0.006 0.000 0.218 506 A C 2.358 179.935 177.584 -0.012 0.000 1.193 506 A CA 2.250 54.273 52.037 -0.024 0.000 0.629 506 A CB -0.985 17.994 19.000 -0.036 0.000 0.826 506 A HN 0.468 nan 8.150 nan 0.000 0.447 507 S N -0.595 115.096 115.700 -0.015 0.000 2.555 507 S HA 0.172 4.646 4.470 0.006 0.000 0.230 507 S C 0.555 175.173 174.600 0.030 0.000 0.978 507 S CA 0.016 58.220 58.200 0.007 0.000 0.934 507 S CB -0.459 62.743 63.200 0.004 0.000 0.766 507 S HN 0.415 nan 8.310 nan 0.000 0.533 508 L N 2.064 123.296 121.223 0.016 0.000 2.380 508 L HA 0.255 4.599 4.340 0.006 0.000 0.273 508 L C 0.289 177.208 176.870 0.083 0.000 1.138 508 L CA -0.102 54.773 54.840 0.058 0.000 0.832 508 L CB 0.489 42.504 42.059 -0.072 0.000 1.124 508 L HN -0.032 nan 8.230 nan 0.000 0.454 509 K N 1.804 122.300 120.400 0.160 0.000 2.110 509 K HA 0.245 4.569 4.320 0.006 0.000 0.263 509 K C -0.469 176.265 176.600 0.223 0.000 0.975 509 K CA -0.953 55.421 56.287 0.145 0.000 0.895 509 K CB 1.061 33.628 32.500 0.111 0.000 1.060 509 K HN 0.457 nan 8.250 nan 0.000 0.448 510 D N 0.000 120.503 120.400 0.171 0.000 6.856 510 D HA 0.000 4.644 4.640 0.006 0.000 0.175 510 D CA 0.000 54.118 54.000 0.196 0.000 0.868 510 D CB 0.000 40.873 40.800 0.121 0.000 0.688 510 D HN 0.000 nan 8.370 nan 0.000 0.683