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 3g6o_1_A DATA FIRST_RESID 6 DATA SEQUENCE PVTLANCEDE PIHVPGAIQP HGALVTLRAD GMVLAASENI QALLGFVASP DATA SEQUENCE GSYLTQEQVG PEVLRMLEEG LTGNGPWSNS VETRIGEHLF DVIGHSYKEV DATA SEQUENCE FYLEFEIRTA DTLSITSFTL NAQRIIAQVQ LHNDTASLLS NVTDELRRMT DATA SEQUENCE GYDRVMAYRF RHDDSGEVVA ESRREDLESY LGLRYPASDI PAQARRLYIQ DATA SEQUENCE NPIRLIADVA YTPMRVFPAL NPETNESFDL SYSVLRSVSP IHCEYLTNMG DATA SEQUENCE VRASMSISIV VGGKLWGLFS CHHMSPKLIP YPVRMSFQIF SQVCSAIVER DATA SEQUENCE LEQGRIAELL RVSTERRLAL ARRARDADDL FGALAHPDDG IAALIPCDGA DATA SEQUENCE LVMLGGRTLS IRXXXERQAG NVLQRLQRDP ERDIYHTDNW XXXXXXXXXX DATA SEQUENCE GDCCGVLAIR FXXXXXGWIF WFRHEEVHXX XXXXXXXXXX XXGPSGPRLT DATA SEQUENCE PRGSFEAWEE VVRGHSTPWS ETDLAIAEKL RLDLMELCL 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.320 177.300 0.033 0.000 1.155 6 P CA 0.000 63.118 63.100 0.030 0.000 0.800 6 P CB 0.000 31.716 31.700 0.026 0.000 0.726 7 V N -1.075 118.860 119.914 0.035 0.000 2.378 7 V HA 0.898 5.018 4.120 -0.000 0.000 0.288 7 V C 0.132 176.251 176.094 0.042 0.000 1.016 7 V CA -0.011 62.314 62.300 0.041 0.000 0.840 7 V CB 0.937 32.788 31.823 0.048 0.000 0.994 7 V HN 0.937 nan 8.190 nan 0.000 0.431 8 T N 1.489 116.068 114.554 0.042 0.000 2.742 8 T HA 0.579 4.929 4.350 -0.000 0.000 0.282 8 T C 0.596 175.325 174.700 0.049 0.000 1.025 8 T CA -0.814 61.312 62.100 0.043 0.000 1.020 8 T CB 1.573 70.462 68.868 0.035 0.000 1.317 8 T HN 0.216 nan 8.240 nan 0.000 0.538 9 L N 0.318 121.571 121.223 0.049 0.000 2.275 9 L HA 0.186 4.526 4.340 -0.000 0.000 0.215 9 L C 2.832 179.730 176.870 0.047 0.000 1.119 9 L CA 1.809 56.682 54.840 0.055 0.000 0.790 9 L CB -2.161 39.931 42.059 0.055 0.000 0.919 9 L HN 0.954 nan 8.230 nan 0.000 0.443 10 A N -0.744 122.099 122.820 0.039 0.000 2.067 10 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 10 A C 1.972 179.576 177.584 0.034 0.000 1.156 10 A CA 1.027 53.084 52.037 0.034 0.000 0.683 10 A CB -0.319 18.698 19.000 0.029 0.000 0.808 10 A HN 0.390 nan 8.150 nan 0.000 0.455 11 N N -1.764 116.959 118.700 0.038 0.000 2.184 11 N HA -0.002 4.737 4.740 -0.000 0.000 0.206 11 N C 1.221 176.756 175.510 0.042 0.000 1.151 11 N CA 0.635 53.707 53.050 0.037 0.000 0.878 11 N CB -0.146 38.363 38.487 0.037 0.000 1.014 11 N HN 0.478 nan 8.380 nan 0.000 0.512 12 C N 0.947 120.276 119.300 0.047 0.000 2.450 12 C HA -0.019 4.441 4.460 -0.000 0.000 0.279 12 C C 2.203 177.218 174.990 0.042 0.000 1.335 12 C CA 1.095 60.144 59.018 0.052 0.000 1.749 12 C CB -0.773 27.006 27.740 0.065 0.000 1.963 12 C HN 0.554 nan 8.230 nan 0.000 0.501 13 E N 0.137 120.359 120.200 0.037 0.000 2.118 13 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 13 E C 0.579 177.191 176.600 0.020 0.000 0.992 13 E CA 1.659 58.075 56.400 0.028 0.000 0.804 13 E CB -0.318 29.398 29.700 0.027 0.000 0.741 13 E HN 0.523 nan 8.360 nan 0.000 0.458 14 D N 0.943 121.359 120.400 0.026 0.000 2.892 14 D HA 0.103 4.743 4.640 -0.000 0.000 0.291 14 D C -1.036 175.286 176.300 0.037 0.000 1.341 14 D CA -0.082 53.934 54.000 0.026 0.000 0.844 14 D CB 0.212 41.028 40.800 0.027 0.000 1.093 14 D HN 0.290 nan 8.370 nan 0.000 0.480 15 E N 1.430 121.653 120.200 0.039 0.000 2.197 15 E HA 0.313 4.663 4.350 -0.000 0.000 0.281 15 E C -2.449 174.197 176.600 0.077 0.000 0.995 15 E CA -2.146 54.286 56.400 0.053 0.000 0.808 15 E CB 1.557 31.287 29.700 0.050 0.000 1.093 15 E HN -0.183 nan 8.360 nan 0.000 0.394 16 P HA 0.128 nan 4.420 nan 0.000 0.247 16 P C 0.380 177.784 177.300 0.174 0.000 1.756 16 P CA -0.022 63.200 63.100 0.204 0.000 1.117 16 P CB -0.346 31.413 31.700 0.098 0.000 1.869 17 I N -0.792 119.883 120.570 0.175 0.000 3.444 17 I HA -0.067 4.103 4.170 -0.000 0.000 0.287 17 I C 1.402 177.588 176.117 0.115 0.000 1.302 17 I CA 0.473 61.828 61.300 0.093 0.000 1.368 17 I CB -0.768 37.243 38.000 0.018 0.000 1.048 17 I HN 0.215 nan 8.210 nan 0.000 0.487 18 H N 2.335 121.380 119.070 -0.040 0.000 2.525 18 H HA 0.175 4.731 4.556 -0.000 0.000 0.275 18 H C 1.014 176.354 175.328 0.019 0.000 0.984 18 H CA 1.015 57.041 56.048 -0.037 0.000 1.264 18 H CB -0.515 29.224 29.762 -0.039 0.000 1.432 18 H HN 0.407 nan 8.280 nan 0.000 0.549 19 V N -1.233 118.553 119.914 -0.213 0.000 2.562 19 V HA 0.331 4.450 4.120 -0.000 0.000 0.274 19 V C -2.267 173.803 176.094 -0.040 0.000 1.075 19 V CA -1.330 60.886 62.300 -0.141 0.000 1.204 19 V CB 1.347 33.017 31.823 -0.255 0.000 1.478 19 V HN -0.032 nan 8.190 nan 0.000 0.622 20 P HA 0.168 nan 4.420 nan 0.000 0.219 20 P C 1.422 178.739 177.300 0.028 0.000 1.150 20 P CA 2.076 65.189 63.100 0.023 0.000 0.814 20 P CB 0.046 31.767 31.700 0.035 0.000 0.787 21 G N -1.318 107.504 108.800 0.037 0.000 2.137 21 G HA2 0.031 3.991 3.960 -0.000 0.000 0.237 21 G HA3 0.031 3.991 3.960 -0.000 0.000 0.237 21 G C 0.161 175.035 174.900 -0.044 0.000 1.002 21 G CA -0.123 44.994 45.100 0.029 0.000 0.702 21 G HN 0.767 nan 8.290 nan 0.000 0.515 22 A N -1.072 121.733 122.820 -0.024 0.000 2.594 22 A HA 0.842 5.162 4.320 -0.000 0.000 0.296 22 A C -0.069 177.516 177.584 0.001 0.000 1.061 22 A CA -0.199 51.817 52.037 -0.034 0.000 0.689 22 A CB 1.039 20.033 19.000 -0.010 0.000 1.280 22 A HN 1.514 nan 8.150 nan 0.000 0.406 23 I N -1.150 119.416 120.570 -0.007 0.000 3.944 23 I HA 0.651 4.821 4.170 -0.000 0.000 0.259 23 I C 0.180 176.298 176.117 0.002 0.000 1.337 23 I CA -1.116 60.174 61.300 -0.017 0.000 1.104 23 I CB 0.442 38.416 38.000 -0.044 0.000 1.465 23 I HN 0.655 nan 8.210 nan 0.000 0.564 24 Q N 0.275 120.017 119.800 -0.097 0.000 2.195 24 Q HA 0.386 4.725 4.340 -0.000 0.000 0.250 24 Q C -2.086 173.866 176.000 -0.079 0.000 0.988 24 Q CA -1.568 54.144 55.803 -0.152 0.000 0.911 24 Q CB 1.275 29.838 28.738 -0.292 0.000 1.258 24 Q HN 0.414 nan 8.270 nan 0.000 0.475 25 P HA 0.024 nan 4.420 nan 0.000 0.261 25 P C -0.164 177.164 177.300 0.047 0.000 1.268 25 P CA 0.590 63.723 63.100 0.055 0.000 0.833 25 P CB 0.034 31.811 31.700 0.129 0.000 1.231 26 H N -1.880 117.206 119.070 0.028 0.000 2.547 26 H HA 0.507 5.062 4.556 -0.000 0.000 0.274 26 H C 0.672 176.041 175.328 0.068 0.000 1.024 26 H CA -0.083 55.981 56.048 0.027 0.000 1.155 26 H CB -0.340 29.425 29.762 0.005 0.000 1.344 26 H HN 0.013 nan 8.280 nan 0.000 0.598 27 G N -1.188 107.516 108.800 -0.160 0.000 2.682 27 G HA2 0.686 4.646 3.960 -0.000 0.000 0.303 27 G HA3 0.686 4.646 3.960 -0.000 0.000 0.303 27 G C -1.670 173.270 174.900 0.067 0.000 1.341 27 G CA -0.672 44.430 45.100 0.004 0.000 0.784 27 G HN 0.585 nan 8.290 nan 0.000 0.497 28 A N -1.293 121.632 122.820 0.176 0.000 2.527 28 A HA 0.869 5.189 4.320 -0.000 0.000 0.293 28 A C -1.918 175.814 177.584 0.247 0.000 1.117 28 A CA -0.606 51.536 52.037 0.173 0.000 0.723 28 A CB 2.094 21.189 19.000 0.158 0.000 1.313 28 A HN 1.754 nan 8.150 nan 0.000 0.411 29 L N 0.657 121.998 121.223 0.198 0.000 2.408 29 L HA 0.810 5.150 4.340 -0.000 0.000 0.268 29 L C -1.445 175.544 176.870 0.199 0.000 0.986 29 L CA -0.483 54.473 54.840 0.194 0.000 0.820 29 L CB 2.152 44.266 42.059 0.092 0.000 1.303 29 L HN 0.517 nan 8.230 nan 0.000 0.411 30 V N 2.497 122.540 119.914 0.216 0.000 2.577 30 V HA 0.630 4.750 4.120 -0.000 0.000 0.303 30 V C -0.228 175.901 176.094 0.059 0.000 1.042 30 V CA -0.360 62.018 62.300 0.129 0.000 0.872 30 V CB 2.096 34.015 31.823 0.160 0.000 0.998 30 V HN 0.883 nan 8.190 nan 0.000 0.423 31 T N 3.381 117.901 114.554 -0.057 0.000 2.829 31 T HA 0.875 5.225 4.350 -0.000 0.000 0.282 31 T C -0.880 173.750 174.700 -0.116 0.000 0.990 31 T CA -0.560 61.445 62.100 -0.159 0.000 1.028 31 T CB 1.368 70.006 68.868 -0.384 0.000 0.951 31 T HN 0.244 nan 8.240 nan 0.000 0.460 32 L N 1.885 123.047 121.223 -0.100 0.000 2.350 32 L HA 0.699 5.039 4.340 -0.000 0.000 0.260 32 L C 0.388 177.240 176.870 -0.029 0.000 1.015 32 L CA -1.184 53.606 54.840 -0.084 0.000 0.821 32 L CB 1.937 43.923 42.059 -0.121 0.000 1.370 32 L HN 0.939 nan 8.230 nan 0.000 0.416 33 R N 0.685 121.155 120.500 -0.050 0.000 2.527 33 R HA 0.778 5.118 4.340 -0.000 0.000 0.243 33 R C 0.777 177.057 176.300 -0.033 0.000 1.206 33 R CA -0.033 56.071 56.100 0.006 0.000 1.134 33 R CB 0.423 30.720 30.300 -0.005 0.000 1.347 33 R HN 0.619 nan 8.270 nan 0.000 0.580 34 A N 0.296 123.132 122.820 0.028 0.000 2.186 34 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 34 A C 0.840 178.324 177.584 -0.167 0.000 1.159 34 A CA 1.621 53.651 52.037 -0.011 0.000 0.680 34 A CB -0.741 18.305 19.000 0.077 0.000 0.787 34 A HN 0.857 nan 8.150 nan 0.000 0.467 35 D N -2.860 117.474 120.400 -0.111 0.000 2.424 35 D HA 0.300 4.940 4.640 -0.000 0.000 0.220 35 D C 1.053 177.349 176.300 -0.007 0.000 1.150 35 D CA 0.567 54.533 54.000 -0.056 0.000 0.831 35 D CB -0.583 40.249 40.800 0.053 0.000 0.981 35 D HN 0.632 nan 8.370 nan 0.000 0.500 36 G N 1.219 109.913 108.800 -0.177 0.000 2.184 36 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 36 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 36 G C 0.285 175.039 174.900 -0.242 0.000 0.975 36 G CA 0.400 45.396 45.100 -0.174 0.000 0.642 36 G HN 0.550 nan 8.290 nan 0.000 0.536 37 M N 1.843 121.188 119.600 -0.425 0.000 2.238 37 M HA 0.486 4.965 4.480 -0.000 0.000 0.350 37 M C 0.576 176.632 176.300 -0.407 0.000 1.321 37 M CA -0.277 54.516 55.300 -0.845 0.000 1.097 37 M CB 0.787 32.935 32.600 -0.754 0.000 1.713 37 M HN 0.011 nan 8.290 nan 0.000 0.455 38 V N 7.405 127.103 119.914 -0.360 0.000 2.529 38 V HA -0.070 4.050 4.120 -0.000 0.000 0.292 38 V C 0.989 177.018 176.094 -0.110 0.000 1.028 38 V CA 0.407 62.598 62.300 -0.181 0.000 1.074 38 V CB 0.538 32.281 31.823 -0.134 0.000 0.958 38 V HN 0.971 nan 8.190 nan 0.000 0.481 39 L N 3.896 125.093 121.223 -0.043 0.000 2.537 39 L HA 0.582 4.921 4.340 -0.000 0.000 0.224 39 L C 0.749 177.673 176.870 0.090 0.000 1.065 39 L CA 0.818 55.694 54.840 0.059 0.000 0.860 39 L CB 0.348 42.509 42.059 0.170 0.000 1.086 39 L HN 0.799 nan 8.230 nan 0.000 0.482 40 A N -0.467 122.344 122.820 -0.016 0.000 2.567 40 A HA 0.802 5.122 4.320 -0.000 0.000 0.291 40 A C -1.835 175.714 177.584 -0.059 0.000 1.048 40 A CA 0.043 52.058 52.037 -0.036 0.000 0.661 40 A CB 0.900 19.824 19.000 -0.127 0.000 1.288 40 A HN -0.031 nan 8.150 nan 0.000 0.424 41 A N 0.429 123.252 122.820 0.005 0.000 2.515 41 A HA 0.859 5.179 4.320 -0.000 0.000 0.298 41 A C 0.242 177.845 177.584 0.031 0.000 1.059 41 A CA 0.200 52.267 52.037 0.051 0.000 0.698 41 A CB 0.895 19.977 19.000 0.136 0.000 1.289 41 A HN 2.450 nan 8.150 nan 0.000 0.404 42 S N 0.380 116.100 115.700 0.033 0.000 2.580 42 S HA 0.130 4.600 4.470 -0.000 0.000 0.261 42 S C 0.495 175.111 174.600 0.027 0.000 1.366 42 S CA 0.742 58.941 58.200 -0.002 0.000 0.996 42 S CB 0.172 63.386 63.200 0.022 0.000 0.902 42 S HN 0.821 nan 8.310 nan 0.000 0.566 43 E N 0.188 120.394 120.200 0.011 0.000 2.479 43 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 43 E C 0.637 177.265 176.600 0.047 0.000 1.049 43 E CA 0.020 56.469 56.400 0.081 0.000 0.870 43 E CB -0.345 29.444 29.700 0.149 0.000 0.944 43 E HN 0.738 nan 8.360 nan 0.000 0.492 44 N N 1.298 120.007 118.700 0.015 0.000 2.187 44 N HA 0.002 4.741 4.740 -0.000 0.000 0.212 44 N C 1.378 176.841 175.510 -0.077 0.000 1.152 44 N CA 0.044 53.088 53.050 -0.010 0.000 0.872 44 N CB -0.209 38.287 38.487 0.015 0.000 1.025 44 N HN 0.265 nan 8.380 nan 0.000 0.514 45 I N -0.167 120.337 120.570 -0.110 0.000 2.113 45 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 45 I C 2.512 178.292 176.117 -0.562 0.000 1.064 45 I CA 1.578 62.681 61.300 -0.328 0.000 1.320 45 I CB -0.985 36.895 38.000 -0.200 0.000 1.028 45 I HN 0.101 nan 8.210 nan 0.000 0.406 46 Q N 0.836 120.410 119.800 -0.375 0.000 2.096 46 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 46 Q C 2.330 178.205 176.000 -0.209 0.000 0.982 46 Q CA 2.123 57.739 55.803 -0.312 0.000 0.850 46 Q CB -0.219 28.424 28.738 -0.158 0.000 0.901 46 Q HN 0.704 nan 8.270 nan 0.000 0.422 47 A N -0.051 122.693 122.820 -0.126 0.000 1.930 47 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 47 A C 1.848 179.422 177.584 -0.016 0.000 1.175 47 A CA 0.911 52.918 52.037 -0.050 0.000 0.627 47 A CB -0.288 18.706 19.000 -0.011 0.000 0.815 47 A HN 0.378 nan 8.150 nan 0.000 0.443 48 L N -1.363 119.835 121.223 -0.043 0.000 2.202 48 L HA 0.291 4.631 4.340 -0.000 0.000 0.205 48 L C 0.493 177.388 176.870 0.040 0.000 1.083 48 L CA 1.164 56.045 54.840 0.069 0.000 0.790 48 L CB -0.062 42.050 42.059 0.088 0.000 0.942 48 L HN 0.309 nan 8.230 nan 0.000 0.452 49 L N -3.868 117.211 121.223 -0.241 0.000 2.322 49 L HA 0.479 4.819 4.340 -0.000 0.000 0.252 49 L C 1.285 177.914 176.870 -0.401 0.000 1.055 49 L CA -0.201 54.450 54.840 -0.315 0.000 0.849 49 L CB 0.976 42.769 42.059 -0.443 0.000 1.446 49 L HN -0.189 nan 8.230 nan 0.000 0.416 50 G N 0.022 108.683 108.800 -0.232 0.000 2.421 50 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.217 50 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.217 50 G C 0.476 175.275 174.900 -0.169 0.000 1.143 50 G CA 0.276 45.289 45.100 -0.144 0.000 0.784 50 G HN 0.443 nan 8.290 nan 0.000 0.541 51 F N -0.015 119.882 119.950 -0.088 0.000 2.440 51 F HA 0.585 5.112 4.527 -0.000 0.000 0.323 51 F C -0.298 175.469 175.800 -0.055 0.000 1.192 51 F CA -1.697 56.260 58.000 -0.071 0.000 1.252 51 F CB 0.842 39.787 39.000 -0.092 0.000 1.214 51 F HN -0.196 nan 8.300 nan 0.000 0.578 52 V N 2.311 122.341 119.914 0.193 0.000 2.266 52 V HA 0.506 4.626 4.120 -0.000 0.000 0.271 52 V C 0.282 176.527 176.094 0.253 0.000 1.032 52 V CA -0.977 61.410 62.300 0.144 0.000 0.806 52 V CB -0.019 31.838 31.823 0.056 0.000 1.052 52 V HN 1.110 nan 8.190 nan 0.000 0.449 53 A N 3.989 127.069 122.820 0.434 0.000 2.513 53 A HA 0.450 4.770 4.320 -0.000 0.000 0.274 53 A C 0.775 178.431 177.584 0.120 0.000 1.115 53 A CA 0.231 52.405 52.037 0.228 0.000 0.792 53 A CB -0.274 18.861 19.000 0.224 0.000 1.053 53 A HN 0.949 nan 8.150 nan 0.000 0.515 54 S N 3.467 119.206 115.700 0.065 0.000 2.449 54 S HA 0.607 5.077 4.470 -0.000 0.000 0.310 54 S C -2.899 171.707 174.600 0.009 0.000 1.096 54 S CA -1.785 56.442 58.200 0.045 0.000 1.095 54 S CB 1.268 64.492 63.200 0.041 0.000 1.007 54 S HN 0.441 nan 8.310 nan 0.000 0.474 55 P HA 0.177 nan 4.420 nan 0.000 0.259 55 P C 1.222 178.503 177.300 -0.032 0.000 1.163 55 P CA 1.613 64.710 63.100 -0.006 0.000 0.760 55 P CB -0.006 31.714 31.700 0.032 0.000 0.762 56 G N 2.012 110.758 108.800 -0.091 0.000 2.424 56 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.207 56 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.207 56 G C 0.562 175.371 174.900 -0.153 0.000 1.061 56 G CA 0.153 45.194 45.100 -0.098 0.000 0.657 56 G HN 0.810 nan 8.290 nan 0.000 0.508 57 S N 0.185 115.823 115.700 -0.104 0.000 2.569 57 S HA 0.493 4.963 4.470 -0.000 0.000 0.274 57 S C -0.120 174.356 174.600 -0.208 0.000 1.353 57 S CA 0.213 58.376 58.200 -0.061 0.000 1.023 57 S CB 0.276 63.460 63.200 -0.026 0.000 0.876 57 S HN 0.568 nan 8.310 nan 0.000 0.540 58 Y N 2.117 122.385 120.300 -0.053 0.000 2.364 58 Y HA 0.453 5.003 4.550 -0.000 0.000 0.340 58 Y C 0.041 175.889 175.900 -0.088 0.000 0.975 58 Y CA -1.382 56.673 58.100 -0.075 0.000 1.089 58 Y CB 1.002 39.417 38.460 -0.074 0.000 1.192 58 Y HN 0.425 nan 8.280 nan 0.000 0.454 59 L N 2.881 124.112 121.223 0.013 0.000 2.506 59 L HA 0.136 4.476 4.340 -0.000 0.000 0.281 59 L C 0.610 177.469 176.870 -0.019 0.000 1.228 59 L CA 0.246 55.051 54.840 -0.058 0.000 0.850 59 L CB -0.152 41.844 42.059 -0.106 0.000 1.110 59 L HN 0.797 nan 8.230 nan 0.000 0.496 60 T N -1.074 113.459 114.554 -0.036 0.000 2.907 60 T HA 0.349 4.699 4.350 -0.000 0.000 0.292 60 T C 0.701 175.390 174.700 -0.018 0.000 1.043 60 T CA -0.815 61.274 62.100 -0.018 0.000 1.003 60 T CB 1.463 70.327 68.868 -0.007 0.000 1.084 60 T HN 0.509 nan 8.240 nan 0.000 0.483 61 Q N 0.188 119.982 119.800 -0.010 0.000 2.217 61 Q HA -0.205 4.135 4.340 -0.000 0.000 0.209 61 Q C 1.109 177.112 176.000 0.006 0.000 0.988 61 Q CA 1.921 57.724 55.803 -0.001 0.000 0.878 61 Q CB -0.169 28.569 28.738 0.000 0.000 0.909 61 Q HN 0.730 nan 8.270 nan 0.000 0.424 62 E N -0.446 119.757 120.200 0.005 0.000 2.485 62 E HA -0.061 4.288 4.350 -0.000 0.000 0.194 62 E C 0.999 177.613 176.600 0.023 0.000 1.098 62 E CA 0.317 56.726 56.400 0.014 0.000 0.878 62 E CB 0.252 29.959 29.700 0.013 0.000 0.939 62 E HN 0.298 nan 8.360 nan 0.000 0.503 63 Q N -1.424 118.383 119.800 0.012 0.000 2.534 63 Q HA 0.210 4.550 4.340 -0.000 0.000 0.252 63 Q C 1.076 177.080 176.000 0.007 0.000 0.850 63 Q CA 0.237 56.053 55.803 0.023 0.000 0.974 63 Q CB 1.033 29.740 28.738 -0.052 0.000 1.205 63 Q HN 0.164 nan 8.270 nan 0.000 0.593 64 V N -0.528 119.375 119.914 -0.018 0.000 3.382 64 V HA 0.369 4.489 4.120 -0.000 0.000 0.296 64 V C -0.053 176.072 176.094 0.053 0.000 1.529 64 V CA 0.704 63.004 62.300 0.000 0.000 1.048 64 V CB 1.219 33.029 31.823 -0.021 0.000 0.878 64 V HN 0.477 nan 8.190 nan 0.000 0.442 65 G N 1.196 110.019 108.800 0.038 0.000 2.746 65 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.685 65 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.685 65 G C -2.208 172.713 174.900 0.035 0.000 1.350 65 G CA -0.133 44.994 45.100 0.045 0.000 0.837 65 G HN 0.165 nan 8.290 nan 0.000 0.564 66 P HA 0.123 nan 4.420 nan 0.000 0.226 66 P C 1.424 178.742 177.300 0.030 0.000 1.161 66 P CA 1.331 64.445 63.100 0.023 0.000 0.804 66 P CB 0.167 31.879 31.700 0.019 0.000 0.829 67 E N -0.219 120.007 120.200 0.042 0.000 2.077 67 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 67 E C 1.905 178.538 176.600 0.055 0.000 0.989 67 E CA 1.004 57.432 56.400 0.048 0.000 0.800 67 E CB -0.658 29.075 29.700 0.054 0.000 0.746 67 E HN 0.037 nan 8.360 nan 0.000 0.452 68 V N 1.728 121.679 119.914 0.061 0.000 2.270 68 V HA -0.235 3.884 4.120 -0.000 0.000 0.245 68 V C 2.373 178.497 176.094 0.050 0.000 1.043 68 V CA 1.364 63.703 62.300 0.065 0.000 1.014 68 V CB -0.475 31.402 31.823 0.092 0.000 0.645 68 V HN 0.262 nan 8.190 nan 0.000 0.447 69 L N -0.214 121.025 121.223 0.026 0.000 1.990 69 L HA -0.294 4.046 4.340 -0.000 0.000 0.213 69 L C 2.752 179.616 176.870 -0.009 0.000 1.072 69 L CA 2.431 57.268 54.840 -0.005 0.000 0.755 69 L CB -0.733 41.318 42.059 -0.013 0.000 0.889 69 L HN 0.330 nan 8.230 nan 0.000 0.432 70 R N 0.261 120.766 120.500 0.009 0.000 2.112 70 R HA -0.279 4.061 4.340 -0.000 0.000 0.242 70 R C 2.426 178.748 176.300 0.037 0.000 1.137 70 R CA 2.386 58.495 56.100 0.014 0.000 0.944 70 R CB -0.353 29.962 30.300 0.025 0.000 0.857 70 R HN 0.310 nan 8.270 nan 0.000 0.435 71 M N 0.176 119.824 119.600 0.079 0.000 2.065 71 M HA -0.180 4.300 4.480 -0.000 0.000 0.259 71 M C 2.071 178.486 176.300 0.193 0.000 1.069 71 M CA 1.773 57.180 55.300 0.178 0.000 1.110 71 M CB -0.291 32.431 32.600 0.203 0.000 1.328 71 M HN 0.340 nan 8.290 nan 0.000 0.405 72 L N 1.019 122.287 121.223 0.074 0.000 2.127 72 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 72 L C 2.217 178.881 176.870 -0.345 0.000 1.089 72 L CA 1.895 56.632 54.840 -0.171 0.000 0.757 72 L CB -0.790 41.188 42.059 -0.134 0.000 0.899 72 L HN 0.403 nan 8.230 nan 0.000 0.434 73 E N -0.205 119.884 120.200 -0.185 0.000 2.047 73 E HA -0.299 4.050 4.350 -0.000 0.000 0.191 73 E C 2.008 178.494 176.600 -0.191 0.000 0.987 73 E CA 1.399 57.684 56.400 -0.191 0.000 0.799 73 E CB -0.201 29.435 29.700 -0.107 0.000 0.752 73 E HN 0.723 nan 8.360 nan 0.000 0.449 74 E N 0.341 120.488 120.200 -0.088 0.000 2.233 74 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 74 E C 1.925 178.436 176.600 -0.149 0.000 1.004 74 E CA 1.379 57.767 56.400 -0.019 0.000 0.819 74 E CB -0.178 29.608 29.700 0.143 0.000 0.738 74 E HN 0.231 nan 8.360 nan 0.000 0.478 75 G N 0.418 108.901 108.800 -0.527 0.000 2.408 75 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.213 75 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.213 75 G C 1.342 175.908 174.900 -0.556 0.000 1.177 75 G CA 0.370 44.757 45.100 -1.188 0.000 0.802 75 G HN 0.173 nan 8.290 nan 0.000 0.533 76 L N 1.645 122.493 121.223 -0.625 0.000 2.362 76 L HA 0.069 4.409 4.340 -0.000 0.000 0.219 76 L C 2.865 179.597 176.870 -0.229 0.000 1.134 76 L CA 2.059 56.589 54.840 -0.518 0.000 0.807 76 L CB -0.572 41.166 42.059 -0.535 0.000 0.927 76 L HN 0.488 nan 8.230 nan 0.000 0.447 77 T N -4.930 109.521 114.554 -0.172 0.000 2.978 77 T HA 0.259 4.609 4.350 -0.000 0.000 0.248 77 T C 1.188 175.867 174.700 -0.035 0.000 1.018 77 T CA 0.287 62.335 62.100 -0.087 0.000 1.026 77 T CB -0.387 68.435 68.868 -0.078 0.000 1.032 77 T HN 0.171 nan 8.240 nan 0.000 0.485 78 G N 1.270 110.054 108.800 -0.026 0.000 2.771 78 G HA2 0.232 4.192 3.960 -0.000 0.000 0.242 78 G HA3 0.232 4.192 3.960 -0.000 0.000 0.242 78 G C 0.364 175.297 174.900 0.054 0.000 1.233 78 G CA -0.302 44.822 45.100 0.039 0.000 0.858 78 G HN 0.320 nan 8.290 nan 0.000 0.591 79 N N 0.192 118.934 118.700 0.071 0.000 2.622 79 N HA 0.049 4.789 4.740 -0.000 0.000 0.213 79 N C 1.664 177.217 175.510 0.073 0.000 1.037 79 N CA 0.743 53.829 53.050 0.061 0.000 0.999 79 N CB -0.463 38.050 38.487 0.043 0.000 1.342 79 N HN 0.569 nan 8.380 nan 0.000 0.465 80 G N 1.855 110.702 108.800 0.079 0.000 2.485 80 G HA2 0.297 4.257 3.960 -0.000 0.000 0.260 80 G HA3 0.297 4.257 3.960 -0.000 0.000 0.260 80 G C -2.175 172.779 174.900 0.088 0.000 1.459 80 G CA -0.377 44.765 45.100 0.070 0.000 1.060 80 G HN 0.066 nan 8.290 nan 0.000 0.546 81 P HA 0.077 nan 4.420 nan 0.000 0.265 81 P C -1.153 176.247 177.300 0.167 0.000 1.187 81 P CA 0.178 63.322 63.100 0.072 0.000 0.766 81 P CB 0.508 32.219 31.700 0.019 0.000 0.820 82 W N 3.117 124.395 121.300 -0.038 0.000 2.529 82 W HA 0.585 5.245 4.660 -0.000 0.000 0.321 82 W C -0.883 175.667 176.519 0.052 0.000 1.047 82 W CA -0.190 57.168 57.345 0.021 0.000 1.216 82 W CB 1.387 30.883 29.460 0.059 0.000 1.357 82 W HN 0.185 nan 8.180 nan 0.000 0.489 83 S N 5.227 120.665 115.700 -0.437 0.000 2.546 83 S HA 0.623 5.092 4.470 -0.000 0.000 0.272 83 S C -1.474 172.731 174.600 -0.658 0.000 1.140 83 S CA -0.514 57.363 58.200 -0.539 0.000 0.920 83 S CB 0.950 64.024 63.200 -0.210 0.000 1.083 83 S HN 0.580 nan 8.310 nan 0.000 0.476 84 N N 0.570 118.849 118.700 -0.702 0.000 3.545 84 N HA 0.471 5.210 4.740 -0.000 0.000 0.227 84 N C -1.702 173.595 175.510 -0.355 0.000 1.380 84 N CA -0.056 52.737 53.050 -0.428 0.000 0.892 84 N CB 1.672 39.958 38.487 -0.334 0.000 1.441 84 N HN 0.718 nan 8.380 nan 0.000 0.497 85 S N -0.719 114.859 115.700 -0.203 0.000 2.705 85 S HA 0.877 5.347 4.470 -0.000 0.000 0.280 85 S C -1.599 172.941 174.600 -0.100 0.000 1.174 85 S CA -0.532 57.538 58.200 -0.216 0.000 0.823 85 S CB 1.903 64.872 63.200 -0.386 0.000 1.162 85 S HN 0.408 nan 8.310 nan 0.000 0.487 86 V N 0.281 120.142 119.914 -0.087 0.000 3.000 86 V HA 0.483 4.603 4.120 -0.000 0.000 0.300 86 V C -1.527 174.569 176.094 0.003 0.000 1.251 86 V CA -0.496 61.793 62.300 -0.019 0.000 0.972 86 V CB 2.164 33.996 31.823 0.015 0.000 1.065 86 V HN 1.028 nan 8.190 nan 0.000 0.431 87 E N 1.915 122.133 120.200 0.031 0.000 2.028 87 E HA 0.509 4.859 4.350 -0.000 0.000 0.266 87 E C -0.703 175.952 176.600 0.092 0.000 0.962 87 E CA 0.051 56.489 56.400 0.064 0.000 0.784 87 E CB 1.257 30.987 29.700 0.050 0.000 1.114 87 E HN 0.655 nan 8.360 nan 0.000 0.414 88 T N 2.583 117.221 114.554 0.141 0.000 2.885 88 T HA 0.359 4.709 4.350 -0.000 0.000 0.285 88 T C -0.704 174.123 174.700 0.211 0.000 1.019 88 T CA -0.781 61.410 62.100 0.152 0.000 1.010 88 T CB 0.825 69.780 68.868 0.146 0.000 1.022 88 T HN 0.423 nan 8.240 nan 0.000 0.466 89 R N 4.705 125.305 120.500 0.168 0.000 2.216 89 R HA 0.517 4.856 4.340 -0.000 0.000 0.332 89 R C -0.651 175.767 176.300 0.198 0.000 1.056 89 R CA -0.210 56.004 56.100 0.189 0.000 0.901 89 R CB -0.038 30.333 30.300 0.119 0.000 1.039 89 R HN 0.534 nan 8.270 nan 0.000 0.456 90 I N 4.311 125.062 120.570 0.302 0.000 2.493 90 I HA 0.229 4.398 4.170 -0.000 0.000 0.298 90 I C 1.585 177.818 176.117 0.193 0.000 0.998 90 I CA -0.730 60.685 61.300 0.193 0.000 1.137 90 I CB 2.032 40.057 38.000 0.042 0.000 1.310 90 I HN 0.967 nan 8.210 nan 0.000 0.445 91 G N 3.963 112.814 108.800 0.086 0.000 2.624 91 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.221 91 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.221 91 G C 1.170 176.052 174.900 -0.030 0.000 1.169 91 G CA 0.962 46.081 45.100 0.031 0.000 0.771 91 G HN 0.714 nan 8.290 nan 0.000 0.598 92 E N 0.626 120.764 120.200 -0.103 0.000 2.046 92 E HA 0.012 4.362 4.350 -0.000 0.000 0.190 92 E C 0.627 176.863 176.600 -0.606 0.000 0.982 92 E CA 1.018 57.148 56.400 -0.451 0.000 0.800 92 E CB -0.218 29.091 29.700 -0.652 0.000 0.756 92 E HN 0.721 nan 8.360 nan 0.000 0.449 93 H N -1.580 117.591 119.070 0.169 0.000 2.908 93 H HA 0.508 5.064 4.556 -0.000 0.000 0.350 93 H C -0.758 174.609 175.328 0.065 0.000 1.217 93 H CA -0.939 55.122 56.048 0.022 0.000 1.168 93 H CB 1.555 31.192 29.762 -0.208 0.000 1.891 93 H HN -0.078 nan 8.280 nan 0.000 0.566 94 L N 1.336 122.600 121.223 0.068 0.000 2.350 94 L HA 0.427 4.767 4.340 -0.000 0.000 0.275 94 L C -1.388 175.443 176.870 -0.065 0.000 1.099 94 L CA -0.229 54.662 54.840 0.086 0.000 0.808 94 L CB 0.198 42.292 42.059 0.058 0.000 1.149 94 L HN 0.436 nan 8.230 nan 0.000 0.442 95 F N 1.803 121.830 119.950 0.128 0.000 2.563 95 F HA 0.344 4.871 4.527 -0.000 0.000 0.316 95 F C -0.349 175.500 175.800 0.081 0.000 1.076 95 F CA -0.742 57.341 58.000 0.138 0.000 0.921 95 F CB 1.791 40.925 39.000 0.223 0.000 1.209 95 F HN 0.351 nan 8.300 nan 0.000 0.462 96 D N 2.516 123.064 120.400 0.246 0.000 2.443 96 D HA 0.297 4.937 4.640 -0.000 0.000 0.221 96 D C -0.751 175.569 176.300 0.033 0.000 1.097 96 D CA 0.094 54.142 54.000 0.080 0.000 0.865 96 D CB 1.596 42.406 40.800 0.016 0.000 1.034 96 D HN 0.048 nan 8.370 nan 0.000 0.511 97 V N 4.995 124.874 119.914 -0.058 0.000 2.368 97 V HA 0.251 4.371 4.120 -0.000 0.000 0.266 97 V C 0.581 176.472 176.094 -0.338 0.000 1.045 97 V CA -0.597 61.541 62.300 -0.269 0.000 0.899 97 V CB 0.612 32.243 31.823 -0.319 0.000 1.006 97 V HN 0.326 nan 8.190 nan 0.000 0.470 98 I N 2.864 123.220 120.570 -0.358 0.000 2.354 98 I HA 0.794 4.964 4.170 -0.000 0.000 0.286 98 I C 0.473 176.469 176.117 -0.201 0.000 1.007 98 I CA -0.321 60.761 61.300 -0.364 0.000 1.167 98 I CB 1.341 39.077 38.000 -0.440 0.000 1.320 98 I HN 0.553 nan 8.210 nan 0.000 0.458 99 G N 5.807 114.438 108.800 -0.280 0.000 2.461 99 G HA2 0.744 4.704 3.960 -0.000 0.000 0.329 99 G HA3 0.744 4.704 3.960 -0.000 0.000 0.329 99 G C -0.815 173.920 174.900 -0.275 0.000 1.170 99 G CA -0.301 44.670 45.100 -0.215 0.000 0.935 99 G HN 0.955 nan 8.290 nan 0.000 0.492 100 H N -2.019 117.034 119.070 -0.028 0.000 2.987 100 H HA 0.594 5.150 4.556 -0.000 0.000 0.316 100 H C -1.327 174.198 175.328 0.328 0.000 1.380 100 H CA -0.499 55.581 56.048 0.053 0.000 1.160 100 H CB 1.028 30.795 29.762 0.009 0.000 1.865 100 H HN 0.784 nan 8.280 nan 0.000 0.521 101 S N 1.225 117.004 115.700 0.131 0.000 2.472 101 S HA 0.595 5.065 4.470 -0.000 0.000 0.303 101 S C -1.405 173.271 174.600 0.127 0.000 1.099 101 S CA -0.572 57.469 58.200 -0.265 0.000 1.077 101 S CB 1.736 64.447 63.200 -0.814 0.000 1.031 101 S HN 0.574 nan 8.310 nan 0.000 0.487 102 Y N 2.685 123.007 120.300 0.037 0.000 2.524 102 Y HA 0.461 5.011 4.550 -0.000 0.000 0.347 102 Y C 0.407 176.381 175.900 0.124 0.000 1.005 102 Y CA -0.832 57.376 58.100 0.181 0.000 1.025 102 Y CB 1.011 39.745 38.460 0.457 0.000 1.275 102 Y HN 0.967 nan 8.280 nan 0.000 0.460 103 K N 1.884 121.971 120.400 -0.522 0.000 1.721 103 K HA -0.319 4.001 4.320 -0.000 0.000 0.121 103 K C -0.409 176.097 176.600 -0.158 0.000 1.152 103 K CA 1.998 58.070 56.287 -0.358 0.000 0.360 103 K CB -0.878 31.440 32.500 -0.304 0.000 0.626 103 K HN 0.936 nan 8.250 nan 0.000 0.878 104 E N 1.007 121.145 120.200 -0.103 0.000 3.105 104 E HA 0.359 4.709 4.350 -0.000 0.000 0.219 104 E C -1.080 175.504 176.600 -0.026 0.000 1.064 104 E CA -0.246 56.121 56.400 -0.055 0.000 1.342 104 E CB 0.796 30.480 29.700 -0.027 0.000 1.295 104 E HN 0.156 nan 8.360 nan 0.000 0.438 105 V N 0.937 120.786 119.914 -0.108 0.000 2.808 105 V HA 0.391 4.511 4.120 -0.000 0.000 0.308 105 V C -1.000 174.838 176.094 -0.426 0.000 1.099 105 V CA -0.868 61.326 62.300 -0.177 0.000 0.920 105 V CB 1.611 33.299 31.823 -0.225 0.000 1.014 105 V HN 0.185 nan 8.190 nan 0.000 0.425 106 F N 3.573 123.281 119.950 -0.404 0.000 2.411 106 F HA 0.640 5.167 4.527 -0.000 0.000 0.352 106 F C -0.238 175.305 175.800 -0.429 0.000 1.123 106 F CA -0.608 57.216 58.000 -0.293 0.000 1.044 106 F CB 1.063 39.961 39.000 -0.170 0.000 1.135 106 F HN 0.360 nan 8.300 nan 0.000 0.461 107 Y N 3.543 123.809 120.300 -0.057 0.000 2.334 107 Y HA 0.555 5.105 4.550 -0.000 0.000 0.328 107 Y C -0.095 175.823 175.900 0.029 0.000 1.130 107 Y CA -0.900 57.144 58.100 -0.094 0.000 1.163 107 Y CB 1.140 39.436 38.460 -0.274 0.000 1.207 107 Y HN 0.329 nan 8.280 nan 0.000 0.471 108 L N 4.230 125.546 121.223 0.156 0.000 2.417 108 L HA 0.344 4.684 4.340 -0.000 0.000 0.259 108 L C -0.827 175.968 176.870 -0.125 0.000 1.023 108 L CA -0.401 54.423 54.840 -0.026 0.000 0.901 108 L CB 0.778 42.786 42.059 -0.084 0.000 1.227 108 L HN 0.706 nan 8.230 nan 0.000 0.454 109 E N 3.338 123.480 120.200 -0.096 0.000 2.229 109 E HA 0.266 4.615 4.350 -0.000 0.000 0.283 109 E C -1.121 175.382 176.600 -0.161 0.000 1.030 109 E CA -0.371 56.012 56.400 -0.029 0.000 0.836 109 E CB 1.069 30.789 29.700 0.034 0.000 1.068 109 E HN 0.240 nan 8.360 nan 0.000 0.401 110 F N 2.563 122.556 119.950 0.072 0.000 2.291 110 F HA 0.143 4.670 4.527 -0.000 0.000 0.368 110 F C 0.766 176.740 175.800 0.291 0.000 1.085 110 F CA -0.628 57.447 58.000 0.125 0.000 1.165 110 F CB 0.725 39.698 39.000 -0.045 0.000 1.429 110 F HN 0.442 nan 8.300 nan 0.000 0.503 111 E N 3.543 123.973 120.200 0.384 0.000 2.222 111 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 111 E C -0.684 176.060 176.600 0.239 0.000 0.982 111 E CA -0.784 55.792 56.400 0.293 0.000 0.842 111 E CB 1.299 31.116 29.700 0.195 0.000 1.144 111 E HN 0.305 nan 8.360 nan 0.000 0.397 112 I N 3.330 123.932 120.570 0.052 0.000 2.416 112 I HA 0.196 4.366 4.170 -0.000 0.000 0.288 112 I C 0.661 176.684 176.117 -0.157 0.000 1.051 112 I CA -0.123 61.014 61.300 -0.273 0.000 1.375 112 I CB 0.686 38.508 38.000 -0.297 0.000 1.407 112 I HN 0.635 nan 8.210 nan 0.000 0.516 113 R N 4.298 124.671 120.500 -0.212 0.000 2.404 113 R HA 0.484 4.824 4.340 -0.000 0.000 0.291 113 R C -0.853 175.401 176.300 -0.078 0.000 1.025 113 R CA -0.234 55.818 56.100 -0.080 0.000 0.991 113 R CB 1.038 31.323 30.300 -0.025 0.000 1.053 113 R HN 0.655 nan 8.270 nan 0.000 0.479 114 T N 2.956 117.489 114.554 -0.034 0.000 2.840 114 T HA 0.442 4.792 4.350 -0.000 0.000 0.287 114 T C -0.333 174.365 174.700 -0.003 0.000 0.991 114 T CA -0.589 61.497 62.100 -0.024 0.000 0.964 114 T CB 1.627 70.479 68.868 -0.027 0.000 0.954 114 T HN 0.784 nan 8.240 nan 0.000 0.438 115 A N 3.290 126.111 122.820 0.002 0.000 2.429 115 A HA 0.444 4.764 4.320 -0.000 0.000 0.242 115 A C 0.310 177.901 177.584 0.012 0.000 1.088 115 A CA -0.035 52.009 52.037 0.011 0.000 0.784 115 A CB 0.189 19.198 19.000 0.014 0.000 1.038 115 A HN 0.789 nan 8.150 nan 0.000 0.501 116 D N -1.063 119.346 120.400 0.016 0.000 2.627 116 D HA 0.397 5.037 4.640 -0.000 0.000 0.259 116 D C -0.245 176.070 176.300 0.025 0.000 1.164 116 D CA -0.079 53.933 54.000 0.020 0.000 1.087 116 D CB 0.687 41.498 40.800 0.018 0.000 1.217 116 D HN 0.483 nan 8.370 nan 0.000 0.630 117 T N 1.201 115.770 114.554 0.025 0.000 2.792 117 T HA 0.055 4.405 4.350 -0.000 0.000 0.286 117 T C 0.497 175.214 174.700 0.029 0.000 0.970 117 T CA -0.228 61.888 62.100 0.027 0.000 1.187 117 T CB -0.201 68.680 68.868 0.022 0.000 0.915 117 T HN 0.092 nan 8.240 nan 0.000 0.529 118 L N 5.242 126.487 121.223 0.037 0.000 2.597 118 L HA 0.093 4.433 4.340 -0.000 0.000 0.271 118 L C 0.584 177.480 176.870 0.044 0.000 1.157 118 L CA 0.393 55.263 54.840 0.050 0.000 0.928 118 L CB -0.275 41.832 42.059 0.079 0.000 1.216 118 L HN 0.682 nan 8.230 nan 0.000 0.481 119 S N 5.711 121.437 115.700 0.043 0.000 2.558 119 S HA 0.029 4.499 4.470 -0.000 0.000 0.287 119 S C 1.837 176.476 174.600 0.065 0.000 1.321 119 S CA -0.522 57.701 58.200 0.039 0.000 1.048 119 S CB 0.450 63.671 63.200 0.035 0.000 0.844 119 S HN 0.563 nan 8.310 nan 0.000 0.512 120 I N 1.560 122.156 120.570 0.043 0.000 2.248 120 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 120 I C 2.135 178.335 176.117 0.139 0.000 1.107 120 I CA 1.547 62.886 61.300 0.065 0.000 1.373 120 I CB -2.895 35.123 38.000 0.029 0.000 1.055 120 I HN 0.563 nan 8.210 nan 0.000 0.418 121 T N 1.275 115.878 114.554 0.082 0.000 2.701 121 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 121 T C 2.184 176.917 174.700 0.054 0.000 1.040 121 T CA 1.881 64.018 62.100 0.061 0.000 1.147 121 T CB -0.455 68.432 68.868 0.032 0.000 0.865 121 T HN 0.341 nan 8.240 nan 0.000 0.426 122 S N 1.343 117.075 115.700 0.054 0.000 2.387 122 S HA -0.112 4.358 4.470 -0.000 0.000 0.230 122 S C 1.653 176.271 174.600 0.031 0.000 1.035 122 S CA 1.230 59.448 58.200 0.030 0.000 1.014 122 S CB -0.599 62.622 63.200 0.035 0.000 0.836 122 S HN 0.535 nan 8.310 nan 0.000 0.466 123 F N 2.537 122.451 119.950 -0.061 0.000 2.146 123 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 123 F C 2.360 178.105 175.800 -0.091 0.000 1.096 123 F CA 1.528 59.475 58.000 -0.088 0.000 1.275 123 F CB -0.817 38.139 39.000 -0.074 0.000 1.008 123 F HN 0.086 nan 8.300 nan 0.000 0.480 124 T N 0.907 115.466 114.554 0.008 0.000 2.867 124 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 124 T C 1.857 176.453 174.700 -0.173 0.000 1.057 124 T CA 1.530 63.576 62.100 -0.090 0.000 1.136 124 T CB -0.382 68.509 68.868 0.039 0.000 0.874 124 T HN 0.290 nan 8.240 nan 0.000 0.466 125 L N 0.460 121.603 121.223 -0.133 0.000 2.567 125 L HA 0.239 4.579 4.340 -0.000 0.000 0.225 125 L C 1.907 178.670 176.870 -0.178 0.000 1.119 125 L CA 0.333 55.095 54.840 -0.130 0.000 0.871 125 L CB -0.089 41.925 42.059 -0.076 0.000 1.036 125 L HN 0.058 nan 8.230 nan 0.000 0.459 126 N N 0.012 118.558 118.700 -0.257 0.000 2.080 126 N HA -0.121 4.618 4.740 -0.000 0.000 0.189 126 N C 1.892 177.176 175.510 -0.377 0.000 1.036 126 N CA 1.507 54.367 53.050 -0.316 0.000 0.846 126 N CB -0.213 38.037 38.487 -0.395 0.000 1.015 126 N HN 0.395 nan 8.380 nan 0.000 0.423 127 A N 0.970 123.492 122.820 -0.497 0.000 1.849 127 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 127 A C 2.008 179.459 177.584 -0.222 0.000 1.202 127 A CA 1.758 53.559 52.037 -0.395 0.000 0.629 127 A CB -0.970 17.758 19.000 -0.452 0.000 0.834 127 A HN 0.408 nan 8.150 nan 0.000 0.447 128 Q N -1.227 118.464 119.800 -0.182 0.000 2.181 128 Q HA -0.229 4.111 4.340 -0.000 0.000 0.205 128 Q C 2.315 178.256 176.000 -0.098 0.000 0.980 128 Q CA 1.603 57.341 55.803 -0.107 0.000 0.862 128 Q CB -0.222 28.465 28.738 -0.084 0.000 0.905 128 Q HN 0.723 nan 8.270 nan 0.000 0.429 129 R N 0.443 120.869 120.500 -0.124 0.000 2.066 129 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 129 R C 2.164 178.393 176.300 -0.119 0.000 1.131 129 R CA 1.012 57.048 56.100 -0.107 0.000 0.955 129 R CB -0.101 30.133 30.300 -0.110 0.000 0.851 129 R HN 0.198 nan 8.270 nan 0.000 0.432 130 I N 0.863 121.328 120.570 -0.175 0.000 2.277 130 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 130 I C 2.107 178.113 176.117 -0.185 0.000 1.094 130 I CA 1.126 62.265 61.300 -0.268 0.000 1.393 130 I CB -0.468 37.252 38.000 -0.467 0.000 1.078 130 I HN 0.306 nan 8.210 nan 0.000 0.417 131 I N 1.374 121.900 120.570 -0.072 0.000 2.145 131 I HA -0.371 3.799 4.170 -0.000 0.000 0.244 131 I C 2.730 178.873 176.117 0.044 0.000 1.075 131 I CA 1.682 63.032 61.300 0.084 0.000 1.332 131 I CB -0.598 37.439 38.000 0.062 0.000 1.033 131 I HN 0.228 nan 8.210 nan 0.000 0.410 132 A N -0.143 122.671 122.820 -0.010 0.000 1.948 132 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 132 A C 2.160 179.743 177.584 -0.001 0.000 1.177 132 A CA 1.601 53.629 52.037 -0.015 0.000 0.636 132 A CB -0.484 18.495 19.000 -0.035 0.000 0.815 132 A HN 0.447 nan 8.150 nan 0.000 0.449 133 Q N -0.854 118.952 119.800 0.009 0.000 2.369 133 Q HA 0.015 4.355 4.340 -0.000 0.000 0.206 133 Q C 1.855 177.951 176.000 0.159 0.000 0.963 133 Q CA 0.823 56.664 55.803 0.064 0.000 0.894 133 Q CB -0.344 28.405 28.738 0.017 0.000 0.965 133 Q HN 0.468 nan 8.270 nan 0.000 0.475 134 V N 0.379 120.382 119.914 0.148 0.000 3.541 134 V HA -0.074 4.046 4.120 -0.000 0.000 0.267 134 V C 0.939 177.117 176.094 0.140 0.000 1.213 134 V CA 0.952 63.374 62.300 0.204 0.000 1.149 134 V CB 0.081 32.061 31.823 0.262 0.000 0.822 134 V HN 0.351 nan 8.190 nan 0.000 0.462 135 Q N -1.210 118.623 119.800 0.056 0.000 2.135 135 Q HA 0.334 4.674 4.340 -0.000 0.000 0.222 135 Q C 1.378 177.317 176.000 -0.101 0.000 0.808 135 Q CA -0.108 55.694 55.803 -0.002 0.000 1.049 135 Q CB 0.801 29.537 28.738 -0.004 0.000 1.168 135 Q HN 0.459 nan 8.270 nan 0.000 0.483 136 L N -0.086 120.976 121.223 -0.268 0.000 2.446 136 L HA 0.082 4.422 4.340 -0.000 0.000 0.219 136 L C -0.009 176.494 176.870 -0.610 0.000 1.116 136 L CA 0.764 55.273 54.840 -0.553 0.000 0.844 136 L CB 0.058 41.611 42.059 -0.843 0.000 0.970 136 L HN 0.318 nan 8.230 nan 0.000 0.457 137 H N -2.947 116.132 119.070 0.016 0.000 2.797 137 H HA 0.316 4.872 4.556 -0.000 0.000 0.372 137 H C -0.045 175.289 175.328 0.011 0.000 1.168 137 H CA -0.709 55.349 56.048 0.015 0.000 1.163 137 H CB 0.967 30.744 29.762 0.024 0.000 1.778 137 H HN -0.257 nan 8.280 nan 0.000 0.551 138 N N -0.404 118.373 118.700 0.128 0.000 2.482 138 N HA -0.035 4.705 4.740 -0.000 0.000 0.179 138 N C -0.266 175.282 175.510 0.063 0.000 1.039 138 N CA 0.140 53.231 53.050 0.068 0.000 0.884 138 N CB 0.451 38.962 38.487 0.040 0.000 1.113 138 N HN 0.593 nan 8.380 nan 0.000 0.440 139 D N -0.428 120.016 120.400 0.074 0.000 2.443 139 D HA -0.022 4.617 4.640 -0.000 0.000 0.239 139 D C 1.062 177.392 176.300 0.050 0.000 1.136 139 D CA 0.632 54.663 54.000 0.052 0.000 0.879 139 D CB 1.050 41.875 40.800 0.042 0.000 1.195 139 D HN -0.037 nan 8.370 nan 0.000 0.443 140 T N 2.114 116.698 114.554 0.049 0.000 2.951 140 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 140 T C 1.616 176.360 174.700 0.074 0.000 1.073 140 T CA 1.450 63.588 62.100 0.063 0.000 1.134 140 T CB -0.107 68.823 68.868 0.103 0.000 0.884 140 T HN 0.496 nan 8.240 nan 0.000 0.479 141 A N 0.719 123.568 122.820 0.049 0.000 1.872 141 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 141 A C 2.588 180.160 177.584 -0.020 0.000 1.187 141 A CA 1.942 53.993 52.037 0.023 0.000 0.614 141 A CB -0.810 18.194 19.000 0.008 0.000 0.826 141 A HN 0.549 nan 8.150 nan 0.000 0.442 142 S N 0.488 116.154 115.700 -0.056 0.000 2.370 142 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 142 S C 1.899 176.311 174.600 -0.312 0.000 1.033 142 S CA 1.267 59.361 58.200 -0.176 0.000 1.011 142 S CB -0.613 62.487 63.200 -0.165 0.000 0.852 142 S HN 0.490 nan 8.310 nan 0.000 0.457 143 L N 2.306 123.428 121.223 -0.169 0.000 1.971 143 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 143 L C 2.117 179.013 176.870 0.043 0.000 1.072 143 L CA 1.939 56.748 54.840 -0.051 0.000 0.758 143 L CB -1.208 40.901 42.059 0.083 0.000 0.889 143 L HN 0.347 nan 8.230 nan 0.000 0.433 144 L N -0.294 120.990 121.223 0.101 0.000 2.042 144 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 144 L C 2.864 179.825 176.870 0.152 0.000 1.076 144 L CA 1.819 56.774 54.840 0.191 0.000 0.749 144 L CB -0.914 41.209 42.059 0.107 0.000 0.893 144 L HN 0.420 nan 8.230 nan 0.000 0.432 145 S N -0.132 115.587 115.700 0.032 0.000 2.382 145 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 145 S C 1.685 176.284 174.600 -0.002 0.000 1.027 145 S CA 1.564 59.767 58.200 0.005 0.000 0.991 145 S CB -0.226 62.949 63.200 -0.042 0.000 0.823 145 S HN 0.465 nan 8.310 nan 0.000 0.469 146 N N 0.280 118.946 118.700 -0.056 0.000 2.135 146 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 146 N C 1.914 177.433 175.510 0.016 0.000 1.027 146 N CA 1.399 54.431 53.050 -0.030 0.000 0.849 146 N CB -0.322 38.129 38.487 -0.060 0.000 1.002 146 N HN 0.382 nan 8.380 nan 0.000 0.425 147 V N 1.453 121.399 119.914 0.053 0.000 2.295 147 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 147 V C 2.056 178.112 176.094 -0.065 0.000 1.049 147 V CA 2.080 64.366 62.300 -0.023 0.000 1.024 147 V CB -0.949 30.891 31.823 0.028 0.000 0.648 147 V HN 0.251 nan 8.190 nan 0.000 0.447 148 T N 0.431 115.053 114.554 0.113 0.000 2.653 148 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 148 T C 1.560 176.264 174.700 0.007 0.000 1.035 148 T CA 2.257 64.427 62.100 0.116 0.000 1.154 148 T CB -0.587 68.381 68.868 0.167 0.000 0.862 148 T HN 0.681 nan 8.240 nan 0.000 0.441 149 D N 0.401 120.803 120.400 0.005 0.000 2.087 149 D HA -0.086 4.554 4.640 -0.000 0.000 0.192 149 D C 2.208 178.486 176.300 -0.036 0.000 0.993 149 D CA 1.308 55.302 54.000 -0.010 0.000 0.828 149 D CB -0.469 40.330 40.800 -0.002 0.000 0.968 149 D HN 0.445 nan 8.370 nan 0.000 0.448 150 E N 0.187 120.351 120.200 -0.060 0.000 2.204 150 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 150 E C 2.213 178.744 176.600 -0.116 0.000 0.989 150 E CA 0.365 56.718 56.400 -0.078 0.000 0.824 150 E CB -0.232 29.415 29.700 -0.088 0.000 0.756 150 E HN 0.205 nan 8.360 nan 0.000 0.477 151 L N 0.143 121.254 121.223 -0.187 0.000 2.012 151 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 151 L C 2.825 179.613 176.870 -0.138 0.000 1.073 151 L CA 1.722 56.407 54.840 -0.258 0.000 0.748 151 L CB -0.419 41.410 42.059 -0.384 0.000 0.891 151 L HN 0.169 nan 8.230 nan 0.000 0.431 152 R N 0.027 120.483 120.500 -0.074 0.000 2.081 152 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 152 R C 2.484 178.793 176.300 0.015 0.000 1.131 152 R CA 1.303 57.404 56.100 0.002 0.000 0.960 152 R CB -0.067 30.245 30.300 0.021 0.000 0.856 152 R HN 0.258 nan 8.270 nan 0.000 0.436 153 R N -0.275 120.222 120.500 -0.005 0.000 2.105 153 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 153 R C 2.302 178.607 176.300 0.008 0.000 1.135 153 R CA 2.103 58.204 56.100 0.001 0.000 0.967 153 R CB -0.147 30.147 30.300 -0.011 0.000 0.861 153 R HN 0.304 nan 8.270 nan 0.000 0.442 154 M N -0.959 118.647 119.600 0.010 0.000 2.134 154 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 154 M C 2.490 178.839 176.300 0.081 0.000 1.076 154 M CA 1.953 57.281 55.300 0.047 0.000 1.143 154 M CB -0.340 32.313 32.600 0.088 0.000 1.346 154 M HN 0.201 nan 8.290 nan 0.000 0.421 155 T N -2.504 112.104 114.554 0.090 0.000 2.942 155 T HA 0.180 4.530 4.350 -0.000 0.000 0.265 155 T C 1.690 176.423 174.700 0.056 0.000 1.062 155 T CA 1.137 63.317 62.100 0.133 0.000 1.139 155 T CB -0.325 68.681 68.868 0.229 0.000 0.883 155 T HN 0.630 nan 8.240 nan 0.000 0.468 156 G N 0.082 108.915 108.800 0.054 0.000 2.179 156 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 156 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 156 G C 0.045 174.975 174.900 0.051 0.000 0.977 156 G CA 0.091 45.205 45.100 0.023 0.000 0.641 156 G HN 0.656 nan 8.290 nan 0.000 0.533 157 Y N 1.464 121.748 120.300 -0.027 0.000 2.987 157 Y HA 0.073 4.622 4.550 -0.000 0.000 0.339 157 Y C 1.816 177.866 175.900 0.249 0.000 1.272 157 Y CA 1.087 59.242 58.100 0.093 0.000 1.562 157 Y CB 0.486 38.964 38.460 0.029 0.000 1.253 157 Y HN 0.136 nan 8.280 nan 0.000 0.604 158 D N 1.704 122.465 120.400 0.602 0.000 2.264 158 D HA -0.104 4.535 4.640 -0.000 0.000 0.208 158 D C 0.568 176.986 176.300 0.196 0.000 0.966 158 D CA 1.387 55.529 54.000 0.236 0.000 0.864 158 D CB 0.208 40.972 40.800 -0.060 0.000 0.933 158 D HN 0.386 nan 8.370 nan 0.000 0.499 159 R N 0.072 120.730 120.500 0.264 0.000 2.522 159 R HA 0.368 4.708 4.340 -0.000 0.000 0.283 159 R C -1.894 174.453 176.300 0.078 0.000 1.074 159 R CA -0.450 55.747 56.100 0.162 0.000 0.925 159 R CB 2.145 32.553 30.300 0.180 0.000 1.205 159 R HN -0.123 nan 8.270 nan 0.000 0.436 160 V N 6.020 125.946 119.914 0.020 0.000 2.555 160 V HA 0.644 4.764 4.120 -0.000 0.000 0.302 160 V C -0.734 175.336 176.094 -0.040 0.000 1.038 160 V CA -0.507 61.760 62.300 -0.055 0.000 0.887 160 V CB 1.876 33.673 31.823 -0.043 0.000 0.991 160 V HN 0.831 nan 8.190 nan 0.000 0.434 161 M N 5.073 124.623 119.600 -0.083 0.000 2.619 161 M HA 0.822 5.302 4.480 -0.000 0.000 0.297 161 M C -0.757 175.513 176.300 -0.049 0.000 1.229 161 M CA -0.728 54.524 55.300 -0.081 0.000 0.860 161 M CB 2.441 34.910 32.600 -0.219 0.000 1.741 161 M HN 0.757 nan 8.290 nan 0.000 0.462 162 A N 1.505 124.268 122.820 -0.095 0.000 2.356 162 A HA 0.761 5.081 4.320 -0.000 0.000 0.310 162 A C -2.213 175.260 177.584 -0.186 0.000 1.075 162 A CA -0.388 51.488 52.037 -0.268 0.000 0.746 162 A CB 1.100 19.927 19.000 -0.287 0.000 1.221 162 A HN 0.718 nan 8.150 nan 0.000 0.443 163 Y N 1.476 121.488 120.300 -0.479 0.000 2.361 163 Y HA 0.554 5.104 4.550 -0.000 0.000 0.337 163 Y C 0.250 175.713 175.900 -0.727 0.000 0.965 163 Y CA -0.709 57.041 58.100 -0.582 0.000 1.091 163 Y CB 1.568 39.649 38.460 -0.632 0.000 1.182 163 Y HN 0.799 nan 8.280 nan 0.000 0.450 164 R N 3.951 123.883 120.500 -0.948 0.000 2.486 164 R HA 0.581 4.921 4.340 -0.000 0.000 0.286 164 R C -1.677 173.886 176.300 -1.228 0.000 0.999 164 R CA -0.605 54.895 56.100 -1.000 0.000 0.993 164 R CB 1.019 30.838 30.300 -0.801 0.000 1.084 164 R HN 0.548 nan 8.270 nan 0.000 0.487 165 F N 1.844 121.384 119.950 -0.684 0.000 2.493 165 F HA 0.481 5.007 4.527 -0.000 0.000 0.329 165 F C 0.438 176.002 175.800 -0.393 0.000 1.126 165 F CA -0.800 56.922 58.000 -0.465 0.000 0.937 165 F CB 1.578 40.391 39.000 -0.312 0.000 1.146 165 F HN 0.207 nan 8.300 nan 0.000 0.442 166 R N 0.665 121.100 120.500 -0.108 0.000 2.573 166 R HA 0.211 4.551 4.340 -0.000 0.000 0.272 166 R C 0.859 177.175 176.300 0.027 0.000 1.009 166 R CA -0.886 55.176 56.100 -0.062 0.000 1.059 166 R CB 0.786 31.053 30.300 -0.055 0.000 1.112 166 R HN 0.757 nan 8.270 nan 0.000 0.517 167 H N 1.806 120.862 119.070 -0.023 0.000 2.400 167 H HA -0.183 4.373 4.556 -0.000 0.000 0.295 167 H C 0.927 176.261 175.328 0.009 0.000 1.118 167 H CA 2.419 58.467 56.048 -0.000 0.000 1.256 167 H CB 0.109 29.873 29.762 0.003 0.000 1.365 167 H HN 0.642 nan 8.280 nan 0.000 0.502 168 D N -0.367 120.047 120.400 0.024 0.000 2.332 168 D HA -0.079 4.561 4.640 -0.000 0.000 0.244 168 D C -0.066 176.221 176.300 -0.021 0.000 1.136 168 D CA 0.782 54.775 54.000 -0.011 0.000 0.884 168 D CB -0.401 40.425 40.800 0.045 0.000 0.906 168 D HN 0.429 nan 8.370 nan 0.000 0.520 169 D N -0.148 120.229 120.400 -0.038 0.000 2.983 169 D HA -0.166 4.474 4.640 -0.000 0.000 0.225 169 D C -0.037 176.328 176.300 0.108 0.000 1.174 169 D CA 1.159 55.164 54.000 0.008 0.000 0.831 169 D CB -1.575 39.203 40.800 -0.036 0.000 1.104 169 D HN 0.515 nan 8.370 nan 0.000 0.421 170 S N -1.050 114.712 115.700 0.104 0.000 2.694 170 S HA 0.777 5.247 4.470 -0.000 0.000 0.278 170 S C 0.620 175.206 174.600 -0.024 0.000 1.152 170 S CA -0.197 58.075 58.200 0.121 0.000 1.010 170 S CB 2.544 65.842 63.200 0.164 0.000 1.104 170 S HN 0.335 nan 8.310 nan 0.000 0.547 171 G N -0.599 108.091 108.800 -0.182 0.000 2.701 171 G HA2 0.549 4.509 3.960 -0.000 0.000 0.300 171 G HA3 0.549 4.509 3.960 -0.000 0.000 0.300 171 G C -1.719 172.666 174.900 -0.859 0.000 1.410 171 G CA -0.656 43.925 45.100 -0.865 0.000 1.014 171 G HN 0.806 nan 8.290 nan 0.000 0.509 172 E N 1.219 120.729 120.200 -1.150 0.000 2.266 172 E HA 0.546 4.896 4.350 -0.000 0.000 0.268 172 E C -1.151 175.162 176.600 -0.478 0.000 0.879 172 E CA -0.770 55.270 56.400 -0.601 0.000 0.762 172 E CB 2.515 31.960 29.700 -0.424 0.000 1.199 172 E HN 0.240 nan 8.360 nan 0.000 0.422 173 V N 5.189 125.051 119.914 -0.086 0.000 2.353 173 V HA 0.103 4.223 4.120 -0.000 0.000 0.264 173 V C 0.834 176.884 176.094 -0.072 0.000 1.049 173 V CA -0.210 62.104 62.300 0.024 0.000 0.896 173 V CB 0.742 32.638 31.823 0.121 0.000 1.025 173 V HN 0.653 nan 8.190 nan 0.000 0.475 174 V N 1.901 121.747 119.914 -0.113 0.000 3.319 174 V HA 0.862 4.982 4.120 -0.000 0.000 0.317 174 V C 0.409 176.467 176.094 -0.060 0.000 1.411 174 V CA 0.433 62.671 62.300 -0.105 0.000 1.112 174 V CB 0.070 31.806 31.823 -0.144 0.000 1.031 174 V HN 0.891 nan 8.190 nan 0.000 0.448 175 A N -0.110 122.688 122.820 -0.037 0.000 2.594 175 A HA 0.798 5.118 4.320 -0.000 0.000 0.296 175 A C -1.009 176.583 177.584 0.014 0.000 1.056 175 A CA -0.304 51.730 52.037 -0.005 0.000 0.693 175 A CB 1.766 20.777 19.000 0.018 0.000 1.278 175 A HN 0.424 nan 8.150 nan 0.000 0.408 176 E N 0.083 120.298 120.200 0.024 0.000 2.380 176 E HA 0.621 4.971 4.350 -0.000 0.000 0.281 176 E C -1.800 174.817 176.600 0.029 0.000 0.999 176 E CA -0.261 56.159 56.400 0.033 0.000 0.800 176 E CB 2.000 31.727 29.700 0.045 0.000 1.228 176 E HN 0.943 nan 8.360 nan 0.000 0.436 177 S N 2.474 118.193 115.700 0.033 0.000 2.689 177 S HA 0.554 5.024 4.470 -0.000 0.000 0.274 177 S C -1.320 173.305 174.600 0.041 0.000 1.176 177 S CA -0.670 57.548 58.200 0.029 0.000 1.014 177 S CB 0.571 63.784 63.200 0.023 0.000 1.071 177 S HN 0.583 nan 8.310 nan 0.000 0.478 178 R N 2.469 122.992 120.500 0.037 0.000 2.831 178 R HA 0.591 4.931 4.340 -0.000 0.000 0.266 178 R C -0.979 175.341 176.300 0.034 0.000 1.051 178 R CA -1.271 54.857 56.100 0.048 0.000 0.943 178 R CB 1.003 31.329 30.300 0.043 0.000 1.228 178 R HN 0.489 nan 8.270 nan 0.000 0.467 179 R N 0.622 121.143 120.500 0.034 0.000 2.298 179 R HA 0.075 4.415 4.340 -0.000 0.000 0.310 179 R C -0.080 176.219 176.300 -0.001 0.000 1.068 179 R CA -0.026 56.083 56.100 0.015 0.000 0.957 179 R CB 0.861 31.165 30.300 0.007 0.000 1.003 179 R HN 0.782 nan 8.270 nan 0.000 0.454 180 E N 2.067 122.262 120.200 -0.008 0.000 2.347 180 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 180 E C 0.372 176.956 176.600 -0.026 0.000 1.008 180 E CA 0.790 57.178 56.400 -0.019 0.000 0.852 180 E CB 0.167 29.857 29.700 -0.017 0.000 0.783 180 E HN 0.651 nan 8.360 nan 0.000 0.505 181 D N 0.694 121.081 120.400 -0.022 0.000 2.309 181 D HA -0.091 4.549 4.640 -0.000 0.000 0.212 181 D C 0.375 176.656 176.300 -0.032 0.000 0.968 181 D CA 0.859 54.844 54.000 -0.025 0.000 0.882 181 D CB -0.021 40.766 40.800 -0.021 0.000 0.918 181 D HN 0.238 nan 8.370 nan 0.000 0.503 182 L N 1.436 122.638 121.223 -0.036 0.000 2.325 182 L HA 0.285 4.624 4.340 -0.000 0.000 0.278 182 L C 0.620 177.424 176.870 -0.111 0.000 1.023 182 L CA -1.116 53.695 54.840 -0.048 0.000 0.811 182 L CB 1.400 43.454 42.059 -0.008 0.000 1.249 182 L HN -0.104 nan 8.230 nan 0.000 0.431 183 E N 1.023 121.120 120.200 -0.172 0.000 2.437 183 E HA 0.115 4.465 4.350 -0.000 0.000 0.263 183 E C -0.305 176.011 176.600 -0.474 0.000 1.030 183 E CA -0.390 55.841 56.400 -0.280 0.000 0.934 183 E CB 0.842 30.372 29.700 -0.283 0.000 0.943 183 E HN 0.487 nan 8.360 nan 0.000 0.444 184 S N 1.361 116.841 115.700 -0.367 0.000 2.610 184 S HA 0.182 4.652 4.470 -0.000 0.000 0.273 184 S C -0.448 173.904 174.600 -0.414 0.000 1.274 184 S CA -0.476 57.533 58.200 -0.318 0.000 1.023 184 S CB 0.339 63.452 63.200 -0.144 0.000 0.962 184 S HN 0.556 nan 8.310 nan 0.000 0.523 185 Y N 2.029 122.324 120.300 -0.008 0.000 2.430 185 Y HA 0.407 4.956 4.550 -0.000 0.000 0.254 185 Y C 0.772 176.651 175.900 -0.035 0.000 1.088 185 Y CA -0.554 57.544 58.100 -0.004 0.000 1.267 185 Y CB -0.005 38.475 38.460 0.034 0.000 1.204 185 Y HN 0.510 nan 8.280 nan 0.000 0.515 186 L N 0.495 121.765 121.223 0.078 0.000 2.628 186 L HA -0.003 4.337 4.340 -0.000 0.000 0.292 186 L C 1.455 178.298 176.870 -0.046 0.000 1.250 186 L CA 1.771 56.616 54.840 0.010 0.000 0.892 186 L CB 0.245 42.292 42.059 -0.019 0.000 1.138 186 L HN 0.668 nan 8.230 nan 0.000 0.502 187 G N 3.068 111.817 108.800 -0.084 0.000 2.253 187 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.251 187 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.251 187 G C 0.271 175.020 174.900 -0.252 0.000 0.998 187 G CA 0.157 45.160 45.100 -0.162 0.000 0.621 187 G HN 0.532 nan 8.290 nan 0.000 0.524 188 L N 0.948 122.049 121.223 -0.205 0.000 2.499 188 L HA 0.420 4.760 4.340 -0.000 0.000 0.281 188 L C 0.859 177.494 176.870 -0.392 0.000 1.234 188 L CA 0.244 54.864 54.840 -0.366 0.000 0.839 188 L CB 0.320 42.316 42.059 -0.105 0.000 1.104 188 L HN 0.311 nan 8.230 nan 0.000 0.500 189 R N 3.636 123.670 120.500 -0.777 0.000 2.575 189 R HA 0.462 4.802 4.340 -0.000 0.000 0.293 189 R C -1.762 174.215 176.300 -0.539 0.000 0.983 189 R CA -0.664 55.047 56.100 -0.649 0.000 0.887 189 R CB 1.854 31.455 30.300 -1.164 0.000 1.184 189 R HN 0.477 nan 8.270 nan 0.000 0.445 190 Y N 1.470 121.709 120.300 -0.102 0.000 2.576 190 Y HA 0.496 5.046 4.550 -0.000 0.000 0.346 190 Y C -2.165 173.844 175.900 0.182 0.000 1.018 190 Y CA -2.913 55.254 58.100 0.112 0.000 1.050 190 Y CB 1.713 40.280 38.460 0.179 0.000 1.280 190 Y HN 0.388 nan 8.280 nan 0.000 0.474 191 P HA 0.169 nan 4.420 nan 0.000 0.276 191 P C 0.131 177.568 177.300 0.228 0.000 1.261 191 P CA -0.146 63.135 63.100 0.302 0.000 0.800 191 P CB 0.977 32.824 31.700 0.245 0.000 1.066 192 A N 1.115 124.033 122.820 0.163 0.000 1.940 192 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 192 A C 2.036 179.680 177.584 0.100 0.000 1.176 192 A CA 2.398 54.506 52.037 0.118 0.000 0.631 192 A CB -1.965 17.073 19.000 0.064 0.000 0.814 192 A HN 0.630 nan 8.150 nan 0.000 0.446 193 S N -0.202 115.560 115.700 0.102 0.000 2.500 193 S HA -0.136 4.334 4.470 -0.000 0.000 0.239 193 S C 0.997 175.653 174.600 0.093 0.000 0.989 193 S CA 1.370 59.621 58.200 0.085 0.000 0.951 193 S CB -0.422 62.829 63.200 0.085 0.000 0.759 193 S HN 0.509 nan 8.310 nan 0.000 0.523 194 D N 1.366 121.835 120.400 0.116 0.000 2.277 194 D HA 0.205 4.844 4.640 -0.000 0.000 0.208 194 D C 0.343 176.653 176.300 0.016 0.000 0.962 194 D CA 0.668 54.715 54.000 0.079 0.000 0.865 194 D CB 0.033 40.893 40.800 0.100 0.000 0.939 194 D HN 0.495 nan 8.370 nan 0.000 0.510 195 I N 1.633 122.230 120.570 0.046 0.000 2.502 195 I HA 0.257 4.427 4.170 -0.000 0.000 0.276 195 I C -2.447 173.685 176.117 0.026 0.000 1.057 195 I CA -2.037 59.284 61.300 0.035 0.000 1.163 195 I CB 1.613 39.648 38.000 0.057 0.000 1.288 195 I HN -0.353 nan 8.210 nan 0.000 0.479 196 P HA 0.016 nan 4.420 nan 0.000 0.269 196 P C 0.948 178.224 177.300 -0.041 0.000 1.217 196 P CA 0.079 63.174 63.100 -0.008 0.000 0.783 196 P CB 0.944 32.640 31.700 -0.008 0.000 0.898 197 A N 1.835 124.624 122.820 -0.050 0.000 1.997 197 A HA -0.291 4.029 4.320 -0.000 0.000 0.221 197 A C 2.103 179.611 177.584 -0.126 0.000 1.172 197 A CA 1.858 53.847 52.037 -0.079 0.000 0.645 197 A CB -1.146 17.813 19.000 -0.067 0.000 0.813 197 A HN 0.647 nan 8.150 nan 0.000 0.454 198 Q N -1.280 118.436 119.800 -0.140 0.000 2.137 198 Q HA 0.076 4.416 4.340 -0.000 0.000 0.198 198 Q C 2.447 178.273 176.000 -0.290 0.000 0.960 198 Q CA 0.906 56.580 55.803 -0.215 0.000 0.847 198 Q CB -0.287 28.330 28.738 -0.202 0.000 0.915 198 Q HN 0.693 nan 8.270 nan 0.000 0.448 199 A N 1.189 123.854 122.820 -0.258 0.000 1.851 199 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 199 A C 1.970 179.169 177.584 -0.642 0.000 1.195 199 A CA 1.637 53.396 52.037 -0.463 0.000 0.622 199 A CB -0.589 18.378 19.000 -0.054 0.000 0.831 199 A HN 0.230 nan 8.150 nan 0.000 0.444 200 R N -1.163 119.250 120.500 -0.146 0.000 2.113 200 R HA -0.165 4.175 4.340 -0.000 0.000 0.231 200 R C 2.400 178.598 176.300 -0.171 0.000 1.129 200 R CA 1.733 57.804 56.100 -0.048 0.000 0.915 200 R CB -0.292 29.954 30.300 -0.090 0.000 0.837 200 R HN 0.326 nan 8.270 nan 0.000 0.430 201 R N 0.567 120.952 120.500 -0.192 0.000 2.226 201 R HA -0.169 4.171 4.340 -0.000 0.000 0.246 201 R C 2.173 178.326 176.300 -0.246 0.000 1.161 201 R CA 1.107 57.096 56.100 -0.186 0.000 0.997 201 R CB -0.636 29.558 30.300 -0.177 0.000 0.870 201 R HN 0.387 nan 8.270 nan 0.000 0.465 202 L N -1.121 119.873 121.223 -0.383 0.000 2.127 202 L HA -0.075 4.265 4.340 -0.000 0.000 0.203 202 L C 1.747 178.377 176.870 -0.400 0.000 1.080 202 L CA 0.688 55.249 54.840 -0.465 0.000 0.768 202 L CB -0.293 41.412 42.059 -0.589 0.000 0.924 202 L HN 0.063 nan 8.230 nan 0.000 0.444 203 Y N -0.255 119.949 120.300 -0.159 0.000 2.483 203 Y HA -0.182 4.368 4.550 -0.000 0.000 0.291 203 Y C 2.223 178.056 175.900 -0.111 0.000 1.143 203 Y CA 0.811 58.831 58.100 -0.133 0.000 1.289 203 Y CB -0.664 37.710 38.460 -0.143 0.000 0.983 203 Y HN 0.166 nan 8.280 nan 0.000 0.556 204 I N -0.807 119.752 120.570 -0.019 0.000 2.333 204 I HA -0.232 3.937 4.170 -0.000 0.000 0.246 204 I C 2.242 178.337 176.117 -0.038 0.000 1.106 204 I CA 1.025 62.309 61.300 -0.026 0.000 1.411 204 I CB -0.364 37.607 38.000 -0.047 0.000 1.082 204 I HN 0.177 nan 8.210 nan 0.000 0.420 205 Q N 0.588 120.329 119.800 -0.098 0.000 2.046 205 Q HA -0.038 4.302 4.340 -0.000 0.000 0.200 205 Q C 0.295 176.249 176.000 -0.076 0.000 0.975 205 Q CA 0.837 56.579 55.803 -0.100 0.000 0.836 205 Q CB 0.050 28.616 28.738 -0.286 0.000 0.896 205 Q HN 0.440 nan 8.270 nan 0.000 0.428 206 N N 0.697 119.317 118.700 -0.133 0.000 2.469 206 N HA 0.135 4.875 4.740 -0.000 0.000 0.253 206 N C -2.172 173.340 175.510 0.004 0.000 0.970 206 N CA -1.322 51.686 53.050 -0.071 0.000 0.940 206 N CB 1.598 40.004 38.487 -0.136 0.000 1.128 206 N HN -0.084 nan 8.380 nan 0.000 0.503 207 P HA -0.106 nan 4.420 nan 0.000 0.217 207 P C 0.090 177.426 177.300 0.060 0.000 1.158 207 P CA 1.448 64.573 63.100 0.041 0.000 0.887 207 P CB 0.452 32.175 31.700 0.038 0.000 0.792 208 I N -0.840 119.762 120.570 0.053 0.000 2.509 208 I HA 0.324 4.494 4.170 -0.000 0.000 0.293 208 I C 0.235 176.387 176.117 0.058 0.000 1.020 208 I CA -1.165 60.172 61.300 0.062 0.000 1.088 208 I CB 2.048 40.092 38.000 0.074 0.000 1.267 208 I HN -0.208 nan 8.210 nan 0.000 0.430 209 R N 6.750 127.290 120.500 0.066 0.000 2.670 209 R HA 0.685 5.025 4.340 -0.000 0.000 0.289 209 R C -1.485 174.856 176.300 0.068 0.000 0.965 209 R CA -0.833 55.310 56.100 0.072 0.000 0.899 209 R CB 2.342 32.710 30.300 0.114 0.000 1.173 209 R HN 0.600 nan 8.270 nan 0.000 0.456 210 L N 3.680 124.952 121.223 0.081 0.000 2.376 210 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 210 L C -1.048 175.871 176.870 0.081 0.000 0.987 210 L CA -0.879 54.015 54.840 0.089 0.000 0.828 210 L CB 1.533 43.650 42.059 0.097 0.000 1.249 210 L HN 0.614 nan 8.230 nan 0.000 0.409 211 I N 4.033 124.651 120.570 0.080 0.000 2.378 211 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 211 I C 0.669 176.795 176.117 0.015 0.000 0.992 211 I CA -0.288 61.040 61.300 0.047 0.000 1.154 211 I CB 1.968 40.022 38.000 0.089 0.000 1.315 211 I HN 0.708 nan 8.210 nan 0.000 0.448 212 A N 3.999 126.778 122.820 -0.068 0.000 1.973 212 A HA 0.104 4.424 4.320 -0.000 0.000 0.210 212 A C 0.495 178.066 177.584 -0.022 0.000 1.200 212 A CA 0.774 52.741 52.037 -0.117 0.000 0.707 212 A CB 0.202 18.981 19.000 -0.368 0.000 0.862 212 A HN 0.709 nan 8.150 nan 0.000 0.461 213 D N -0.915 119.505 120.400 0.035 0.000 2.855 213 D HA 0.391 5.031 4.640 -0.000 0.000 0.241 213 D C 0.474 176.910 176.300 0.227 0.000 1.277 213 D CA -0.278 53.791 54.000 0.114 0.000 0.918 213 D CB 2.146 43.031 40.800 0.142 0.000 1.462 213 D HN -0.098 nan 8.370 nan 0.000 0.559 214 V N 2.709 122.727 119.914 0.174 0.000 2.788 214 V HA 0.045 4.165 4.120 -0.000 0.000 0.251 214 V C 2.020 178.229 176.094 0.192 0.000 1.068 214 V CA 1.519 63.941 62.300 0.204 0.000 1.090 214 V CB -0.297 31.562 31.823 0.060 0.000 0.710 214 V HN 0.655 nan 8.190 nan 0.000 0.467 215 A N -0.059 122.829 122.820 0.113 0.000 2.337 215 A HA 0.227 4.547 4.320 -0.000 0.000 0.227 215 A C 0.832 178.414 177.584 -0.002 0.000 1.259 215 A CA -0.482 51.564 52.037 0.015 0.000 0.870 215 A CB -0.861 18.143 19.000 0.007 0.000 0.927 215 A HN 0.656 nan 8.150 nan 0.000 0.497 216 Y N -0.863 119.455 120.300 0.031 0.000 2.904 216 Y HA 0.278 4.827 4.550 -0.000 0.000 0.336 216 Y C 0.355 176.278 175.900 0.037 0.000 1.263 216 Y CA 0.452 58.577 58.100 0.042 0.000 1.547 216 Y CB -0.126 38.372 38.460 0.064 0.000 1.272 216 Y HN 0.000 nan 8.280 nan 0.000 0.596 217 T N 7.515 122.000 114.554 -0.115 0.000 2.743 217 T HA 0.410 4.760 4.350 -0.000 0.000 0.292 217 T C -2.257 172.428 174.700 -0.024 0.000 0.972 217 T CA -1.949 60.025 62.100 -0.211 0.000 0.967 217 T CB 0.101 68.916 68.868 -0.087 0.000 0.926 217 T HN 0.638 nan 8.240 nan 0.000 0.459 218 P HA 0.206 nan 4.420 nan 0.000 0.272 218 P C -0.806 176.581 177.300 0.145 0.000 1.243 218 P CA -0.289 62.956 63.100 0.241 0.000 0.803 218 P CB 0.378 32.166 31.700 0.147 0.000 0.974 219 M N 0.064 119.737 119.600 0.122 0.000 2.213 219 M HA 0.308 4.788 4.480 -0.000 0.000 0.286 219 M C -0.788 175.489 176.300 -0.039 0.000 1.008 219 M CA -0.246 55.078 55.300 0.041 0.000 0.937 219 M CB 1.648 34.275 32.600 0.045 0.000 1.600 219 M HN 0.126 nan 8.290 nan 0.000 0.450 220 R N 1.807 122.223 120.500 -0.139 0.000 2.500 220 R HA 0.719 5.059 4.340 -0.000 0.000 0.275 220 R C -0.506 175.511 176.300 -0.471 0.000 1.051 220 R CA -0.966 54.927 56.100 -0.345 0.000 1.088 220 R CB 0.823 30.776 30.300 -0.579 0.000 1.063 220 R HN 0.582 nan 8.270 nan 0.000 0.511 221 V N 0.449 120.109 119.914 -0.423 0.000 2.394 221 V HA 0.558 4.678 4.120 -0.000 0.000 0.282 221 V C -0.937 174.896 176.094 -0.436 0.000 1.031 221 V CA -0.629 61.465 62.300 -0.343 0.000 0.881 221 V CB 0.518 32.232 31.823 -0.183 0.000 0.982 221 V HN 0.471 nan 8.190 nan 0.000 0.451 222 F N 5.017 124.999 119.950 0.053 0.000 2.492 222 F HA 0.784 5.311 4.527 -0.000 0.000 0.327 222 F C -2.155 173.695 175.800 0.083 0.000 1.079 222 F CA -2.755 55.291 58.000 0.076 0.000 0.967 222 F CB 1.612 40.647 39.000 0.059 0.000 1.169 222 F HN 0.373 nan 8.300 nan 0.000 0.472 223 P HA 0.195 nan 4.420 nan 0.000 0.274 223 P C -0.009 177.505 177.300 0.356 0.000 1.231 223 P CA -0.226 63.090 63.100 0.360 0.000 0.790 223 P CB 0.921 32.775 31.700 0.256 0.000 0.951 224 A N 2.269 125.276 122.820 0.312 0.000 2.172 224 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 224 A C 0.701 178.426 177.584 0.234 0.000 1.154 224 A CA 1.089 53.267 52.037 0.234 0.000 0.701 224 A CB -0.868 18.238 19.000 0.177 0.000 0.789 224 A HN 0.523 nan 8.150 nan 0.000 0.465 225 L N -0.369 120.971 121.223 0.195 0.000 2.409 225 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 225 L C -0.805 176.021 176.870 -0.073 0.000 0.980 225 L CA -0.873 53.976 54.840 0.015 0.000 0.826 225 L CB 1.820 43.886 42.059 0.011 0.000 1.268 225 L HN 0.167 nan 8.230 nan 0.000 0.407 226 N N 5.974 124.402 118.700 -0.453 0.000 2.399 226 N HA 0.240 4.980 4.740 -0.000 0.000 0.259 226 N C -1.999 173.395 175.510 -0.193 0.000 1.160 226 N CA -1.893 50.854 53.050 -0.504 0.000 0.946 226 N CB 1.296 39.116 38.487 -1.111 0.000 1.156 226 N HN 0.311 nan 8.380 nan 0.000 0.489 227 P HA -0.158 nan 4.420 nan 0.000 0.216 227 P C 0.682 177.957 177.300 -0.041 0.000 1.150 227 P CA 1.200 64.284 63.100 -0.026 0.000 0.843 227 P CB 0.348 32.056 31.700 0.013 0.000 0.787 228 E N -1.678 118.492 120.200 -0.049 0.000 2.204 228 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 228 E C 1.784 178.350 176.600 -0.058 0.000 0.989 228 E CA 1.321 57.696 56.400 -0.042 0.000 0.824 228 E CB -0.771 28.909 29.700 -0.032 0.000 0.756 228 E HN 0.236 nan 8.360 nan 0.000 0.477 229 T N -1.177 113.322 114.554 -0.092 0.000 2.958 229 T HA 0.042 4.392 4.350 -0.000 0.000 0.256 229 T C 0.563 175.209 174.700 -0.090 0.000 0.983 229 T CA 0.586 62.630 62.100 -0.094 0.000 0.924 229 T CB 0.066 68.859 68.868 -0.124 0.000 1.136 229 T HN 0.061 nan 8.240 nan 0.000 0.506 230 N N 0.890 119.531 118.700 -0.098 0.000 2.936 230 N HA -0.146 4.594 4.740 -0.000 0.000 0.236 230 N C -0.511 174.946 175.510 -0.087 0.000 0.930 230 N CA 1.593 54.598 53.050 -0.075 0.000 0.966 230 N CB -0.899 37.560 38.487 -0.047 0.000 1.090 230 N HN 0.661 nan 8.380 nan 0.000 0.592 231 E N -0.265 119.859 120.200 -0.127 0.000 2.232 231 E HA 0.498 4.848 4.350 -0.000 0.000 0.264 231 E C -0.250 176.223 176.600 -0.211 0.000 0.973 231 E CA -0.668 55.655 56.400 -0.128 0.000 0.849 231 E CB 1.453 31.090 29.700 -0.104 0.000 1.198 231 E HN 0.190 nan 8.360 nan 0.000 0.407 232 S N 0.479 116.088 115.700 -0.152 0.000 2.608 232 S HA 0.214 4.684 4.470 -0.000 0.000 0.261 232 S C -0.563 173.933 174.600 -0.173 0.000 1.314 232 S CA -0.573 57.539 58.200 -0.147 0.000 0.992 232 S CB 0.189 63.375 63.200 -0.022 0.000 0.935 232 S HN 0.293 nan 8.310 nan 0.000 0.564 233 F N 1.776 121.762 119.950 0.060 0.000 2.456 233 F HA 0.205 4.732 4.527 -0.000 0.000 0.358 233 F C 0.991 176.858 175.800 0.111 0.000 1.095 233 F CA -0.286 57.796 58.000 0.136 0.000 1.216 233 F CB 0.461 39.592 39.000 0.218 0.000 1.125 233 F HN 0.435 nan 8.300 nan 0.000 0.549 234 D N 4.653 125.268 120.400 0.358 0.000 2.441 234 D HA 0.151 4.791 4.640 -0.000 0.000 0.221 234 D C 0.260 176.735 176.300 0.292 0.000 1.156 234 D CA -0.006 54.176 54.000 0.303 0.000 0.896 234 D CB 0.463 41.502 40.800 0.398 0.000 1.028 234 D HN 0.518 nan 8.370 nan 0.000 0.509 235 L N 2.713 123.989 121.223 0.088 0.000 2.715 235 L HA 0.045 4.385 4.340 -0.000 0.000 0.238 235 L C 2.104 178.912 176.870 -0.104 0.000 1.212 235 L CA -0.155 54.625 54.840 -0.100 0.000 1.017 235 L CB -0.150 41.854 42.059 -0.091 0.000 1.269 235 L HN 0.203 nan 8.230 nan 0.000 0.452 236 S N -0.454 115.208 115.700 -0.063 0.000 2.370 236 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 236 S C 1.325 175.573 174.600 -0.586 0.000 1.033 236 S CA 1.592 59.602 58.200 -0.317 0.000 1.011 236 S CB -0.223 62.733 63.200 -0.406 0.000 0.852 236 S HN 0.492 nan 8.310 nan 0.000 0.457 237 Y N 1.067 121.160 120.300 -0.346 0.000 2.461 237 Y HA 0.366 4.915 4.550 -0.000 0.000 0.277 237 Y C 1.085 176.680 175.900 -0.508 0.000 1.182 237 Y CA -0.397 57.433 58.100 -0.449 0.000 1.276 237 Y CB 0.048 38.171 38.460 -0.561 0.000 1.087 237 Y HN 0.061 nan 8.280 nan 0.000 0.519 238 S N -0.291 115.276 115.700 -0.220 0.000 2.528 238 S HA 0.166 4.636 4.470 -0.000 0.000 0.277 238 S C 1.293 175.830 174.600 -0.104 0.000 1.297 238 S CA -0.412 57.707 58.200 -0.135 0.000 1.052 238 S CB 0.843 63.961 63.200 -0.138 0.000 0.917 238 S HN 0.145 nan 8.310 nan 0.000 0.492 239 V N 6.360 126.245 119.914 -0.048 0.000 2.307 239 V HA -0.111 4.009 4.120 -0.000 0.000 0.245 239 V C 1.931 178.035 176.094 0.017 0.000 1.045 239 V CA 1.705 64.009 62.300 0.007 0.000 1.024 239 V CB -0.568 31.298 31.823 0.072 0.000 0.651 239 V HN 0.849 nan 8.190 nan 0.000 0.449 240 L N -0.227 120.988 121.223 -0.013 0.000 2.599 240 L HA 0.111 4.451 4.340 -0.000 0.000 0.230 240 L C 1.386 178.219 176.870 -0.062 0.000 1.141 240 L CA 0.014 54.816 54.840 -0.063 0.000 0.877 240 L CB -0.449 41.531 42.059 -0.131 0.000 1.009 240 L HN 0.228 nan 8.230 nan 0.000 0.447 241 R N 1.987 122.456 120.500 -0.052 0.000 2.505 241 R HA -0.087 4.253 4.340 -0.000 0.000 0.274 241 R C 0.574 176.854 176.300 -0.033 0.000 0.955 241 R CA 0.346 56.416 56.100 -0.049 0.000 1.109 241 R CB 0.442 30.703 30.300 -0.065 0.000 0.890 241 R HN 0.256 nan 8.270 nan 0.000 0.415 242 S N 2.885 118.581 115.700 -0.007 0.000 2.585 242 S HA 0.196 4.666 4.470 -0.000 0.000 0.273 242 S C 0.102 174.744 174.600 0.071 0.000 1.339 242 S CA -0.970 57.248 58.200 0.031 0.000 1.028 242 S CB 1.471 64.744 63.200 0.122 0.000 0.906 242 S HN 0.377 nan 8.310 nan 0.000 0.528 243 V N 2.857 122.849 119.914 0.129 0.000 2.686 243 V HA 0.382 4.501 4.120 -0.000 0.000 0.295 243 V C 0.978 177.200 176.094 0.213 0.000 1.057 243 V CA -0.557 61.848 62.300 0.176 0.000 1.012 243 V CB 1.449 33.413 31.823 0.235 0.000 1.006 243 V HN 1.073 nan 8.190 nan 0.000 0.477 244 S N 4.458 120.259 115.700 0.169 0.000 2.568 244 S HA 0.127 4.596 4.470 -0.000 0.000 0.282 244 S C -1.407 173.293 174.600 0.168 0.000 1.338 244 S CA -0.610 57.678 58.200 0.147 0.000 1.045 244 S CB 0.904 64.176 63.200 0.120 0.000 0.873 244 S HN 0.625 nan 8.310 nan 0.000 0.516 245 P HA -0.042 nan 4.420 nan 0.000 0.216 245 P C 1.535 178.893 177.300 0.096 0.000 1.153 245 P CA 0.629 63.779 63.100 0.083 0.000 0.844 245 P CB -0.005 31.724 31.700 0.049 0.000 0.787 246 I N -0.421 120.217 120.570 0.113 0.000 2.118 246 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 246 I C 2.339 178.567 176.117 0.186 0.000 1.070 246 I CA 2.032 63.412 61.300 0.132 0.000 1.327 246 I CB -1.787 36.289 38.000 0.126 0.000 1.034 246 I HN 0.113 nan 8.210 nan 0.000 0.405 247 H N 0.071 119.194 119.070 0.089 0.000 2.521 247 H HA -0.090 4.466 4.556 -0.000 0.000 0.286 247 H C 2.228 177.628 175.328 0.120 0.000 1.034 247 H CA 1.400 57.491 56.048 0.072 0.000 1.278 247 H CB 0.040 29.810 29.762 0.013 0.000 1.386 247 H HN 0.295 nan 8.280 nan 0.000 0.567 248 C N -0.269 119.046 119.300 0.024 0.000 2.522 248 C HA -0.010 4.450 4.460 -0.000 0.000 0.280 248 C C 2.572 177.554 174.990 -0.013 0.000 1.303 248 C CA 0.825 59.827 59.018 -0.027 0.000 1.709 248 C CB -0.452 27.318 27.740 0.050 0.000 2.071 248 C HN 0.734 nan 8.230 nan 0.000 0.492 249 E N -0.469 119.750 120.200 0.032 0.000 2.171 249 E HA -0.282 4.068 4.350 -0.000 0.000 0.197 249 E C 1.776 178.397 176.600 0.035 0.000 0.997 249 E CA 1.455 57.872 56.400 0.028 0.000 0.810 249 E CB -0.221 29.505 29.700 0.044 0.000 0.738 249 E HN 0.804 nan 8.360 nan 0.000 0.467 250 Y N 0.593 120.855 120.300 -0.063 0.000 2.109 250 Y HA -0.171 4.379 4.550 -0.000 0.000 0.285 250 Y C 2.108 177.937 175.900 -0.117 0.000 1.131 250 Y CA 1.607 59.671 58.100 -0.060 0.000 1.121 250 Y CB -0.142 38.306 38.460 -0.021 0.000 0.987 250 Y HN -0.004 nan 8.280 nan 0.000 0.495 251 L N -0.158 121.109 121.223 0.072 0.000 2.187 251 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 251 L C 2.365 179.197 176.870 -0.064 0.000 1.100 251 L CA 1.869 56.675 54.840 -0.056 0.000 0.765 251 L CB -0.806 41.102 42.059 -0.252 0.000 0.904 251 L HN 0.468 nan 8.230 nan 0.000 0.437 252 T N -3.740 110.782 114.554 -0.053 0.000 2.857 252 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 252 T C 1.647 176.317 174.700 -0.050 0.000 1.048 252 T CA 0.936 63.010 62.100 -0.043 0.000 1.139 252 T CB -0.366 68.484 68.868 -0.031 0.000 0.874 252 T HN 0.210 nan 8.240 nan 0.000 0.455 253 N N 1.273 119.928 118.700 -0.076 0.000 2.289 253 N HA 0.085 4.825 4.740 -0.000 0.000 0.184 253 N C 1.598 177.055 175.510 -0.088 0.000 1.016 253 N CA 0.896 53.887 53.050 -0.099 0.000 0.872 253 N CB -0.418 37.971 38.487 -0.164 0.000 0.973 253 N HN 0.463 nan 8.380 nan 0.000 0.433 254 M N -0.658 118.893 119.600 -0.081 0.000 2.556 254 M HA 0.122 4.602 4.480 -0.000 0.000 0.245 254 M C 0.416 176.723 176.300 0.012 0.000 1.128 254 M CA 0.112 55.402 55.300 -0.016 0.000 1.069 254 M CB 0.193 32.800 32.600 0.012 0.000 1.469 254 M HN 0.137 nan 8.290 nan 0.000 0.494 255 G N 2.045 110.836 108.800 -0.015 0.000 2.351 255 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.297 255 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.297 255 G C -0.568 174.325 174.900 -0.012 0.000 1.054 255 G CA -0.220 44.874 45.100 -0.010 0.000 1.123 255 G HN 0.340 nan 8.290 nan 0.000 0.512 256 V N 0.242 120.132 119.914 -0.040 0.000 2.709 256 V HA 0.587 4.707 4.120 -0.000 0.000 0.308 256 V C 0.985 177.052 176.094 -0.044 0.000 1.062 256 V CA -0.885 61.380 62.300 -0.060 0.000 0.901 256 V CB 1.950 33.667 31.823 -0.175 0.000 1.003 256 V HN 0.406 nan 8.190 nan 0.000 0.425 257 R N 1.380 121.874 120.500 -0.009 0.000 2.373 257 R HA 0.646 4.986 4.340 -0.000 0.000 0.221 257 R C 0.232 176.560 176.300 0.046 0.000 0.893 257 R CA 0.559 56.670 56.100 0.018 0.000 1.049 257 R CB 1.351 31.664 30.300 0.021 0.000 1.119 257 R HN 0.828 nan 8.270 nan 0.000 0.535 258 A N -0.098 122.764 122.820 0.071 0.000 2.594 258 A HA 0.680 5.000 4.320 -0.000 0.000 0.291 258 A C -1.108 176.605 177.584 0.215 0.000 1.105 258 A CA -0.485 51.626 52.037 0.123 0.000 0.694 258 A CB 2.119 21.184 19.000 0.108 0.000 1.291 258 A HN -0.017 nan 8.150 nan 0.000 0.410 259 S N 0.475 116.328 115.700 0.255 0.000 2.625 259 S HA 0.876 5.346 4.470 -0.000 0.000 0.271 259 S C -1.570 173.149 174.600 0.199 0.000 1.161 259 S CA -0.455 57.901 58.200 0.261 0.000 0.820 259 S CB 1.507 64.815 63.200 0.180 0.000 1.137 259 S HN 1.190 nan 8.310 nan 0.000 0.470 260 M N 2.668 122.297 119.600 0.049 0.000 2.361 260 M HA 0.279 4.759 4.480 -0.000 0.000 0.274 260 M C -2.050 174.165 176.300 -0.142 0.000 1.035 260 M CA -0.054 55.200 55.300 -0.076 0.000 0.907 260 M CB 1.575 34.016 32.600 -0.265 0.000 1.971 260 M HN 0.671 nan 8.290 nan 0.000 0.494 261 S N 4.952 120.607 115.700 -0.075 0.000 2.707 261 S HA 0.633 5.103 4.470 -0.000 0.000 0.303 261 S C -0.415 174.178 174.600 -0.011 0.000 1.132 261 S CA -0.763 57.393 58.200 -0.074 0.000 1.046 261 S CB 1.366 64.498 63.200 -0.114 0.000 1.004 261 S HN 0.522 nan 8.310 nan 0.000 0.483 262 I N 2.488 123.074 120.570 0.027 0.000 2.474 262 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 262 I C 0.739 176.945 176.117 0.149 0.000 1.048 262 I CA -0.095 61.270 61.300 0.109 0.000 1.383 262 I CB 0.708 38.809 38.000 0.168 0.000 1.412 262 I HN 0.436 nan 8.210 nan 0.000 0.531 263 S N 6.394 122.158 115.700 0.107 0.000 2.617 263 S HA 0.668 5.138 4.470 -0.000 0.000 0.283 263 S C -0.050 174.610 174.600 0.099 0.000 1.189 263 S CA -0.520 57.737 58.200 0.095 0.000 1.036 263 S CB 1.637 64.880 63.200 0.072 0.000 1.014 263 S HN 0.375 nan 8.310 nan 0.000 0.522 264 I N 2.411 123.053 120.570 0.121 0.000 2.410 264 I HA 0.390 4.560 4.170 -0.000 0.000 0.286 264 I C -1.152 175.042 176.117 0.128 0.000 1.009 264 I CA -0.630 60.739 61.300 0.114 0.000 1.111 264 I CB 1.649 39.774 38.000 0.209 0.000 1.262 264 I HN 0.224 nan 8.210 nan 0.000 0.443 265 V N 7.003 126.945 119.914 0.047 0.000 2.487 265 V HA 0.599 4.719 4.120 -0.000 0.000 0.298 265 V C -0.170 175.930 176.094 0.010 0.000 1.028 265 V CA -0.722 61.607 62.300 0.048 0.000 0.860 265 V CB 1.999 33.832 31.823 0.017 0.000 0.991 265 V HN 0.522 nan 8.190 nan 0.000 0.427 266 V N 2.176 122.122 119.914 0.054 0.000 2.962 266 V HA 1.080 5.200 4.120 -0.000 0.000 0.313 266 V C 0.493 176.613 176.094 0.044 0.000 1.099 266 V CA 0.281 62.583 62.300 0.003 0.000 0.971 266 V CB 1.258 33.034 31.823 -0.077 0.000 1.028 266 V HN 1.704 nan 8.190 nan 0.000 0.430 267 G N 2.852 111.664 108.800 0.020 0.000 2.581 267 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.291 267 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.291 267 G C 0.789 175.701 174.900 0.020 0.000 1.277 267 G CA 0.414 45.530 45.100 0.027 0.000 0.959 267 G HN 2.395 nan 8.290 nan 0.000 0.554 268 G N -0.188 108.624 108.800 0.020 0.000 3.440 268 G HA2 0.498 4.458 3.960 -0.000 0.000 0.263 268 G HA3 0.498 4.458 3.960 -0.000 0.000 0.263 268 G C 0.391 175.295 174.900 0.006 0.000 1.236 268 G CA 0.789 45.895 45.100 0.010 0.000 0.927 268 G HN 0.671 nan 8.290 nan 0.000 0.530 269 K N -0.213 120.199 120.400 0.021 0.000 2.375 269 K HA 0.434 4.753 4.320 -0.000 0.000 0.249 269 K C -1.267 175.351 176.600 0.029 0.000 0.942 269 K CA -1.096 55.198 56.287 0.011 0.000 0.806 269 K CB 2.626 35.140 32.500 0.023 0.000 1.227 269 K HN -0.009 nan 8.250 nan 0.000 0.430 270 L N 2.866 124.060 121.223 -0.047 0.000 2.485 270 L HA 0.085 4.424 4.340 -0.000 0.000 0.279 270 L C 0.115 176.977 176.870 -0.013 0.000 1.124 270 L CA 0.415 55.207 54.840 -0.081 0.000 0.888 270 L CB -0.049 41.844 42.059 -0.276 0.000 1.217 270 L HN 0.801 nan 8.230 nan 0.000 0.464 271 W N 5.686 126.981 121.300 -0.009 0.000 2.996 271 W HA 0.472 5.132 4.660 0.000 0.000 0.270 271 W C 0.653 177.323 176.519 0.250 0.000 1.280 271 W CA 0.550 57.951 57.345 0.093 0.000 1.549 271 W CB 0.492 29.973 29.460 0.034 0.000 1.079 271 W HN 0.626 nan 8.180 nan 0.000 0.629 272 G N 1.012 110.147 108.800 0.557 0.000 2.328 272 G HA2 0.434 4.394 3.960 -0.000 0.000 0.295 272 G HA3 0.434 4.394 3.960 -0.000 0.000 0.295 272 G C -2.290 172.814 174.900 0.340 0.000 1.413 272 G CA -0.433 44.921 45.100 0.423 0.000 0.817 272 G HN 0.590 nan 8.290 nan 0.000 0.546 273 L N -2.327 118.977 121.223 0.135 0.000 2.611 273 L HA 0.810 5.150 4.340 -0.000 0.000 0.260 273 L C -1.671 175.096 176.870 -0.171 0.000 0.924 273 L CA -1.181 53.670 54.840 0.019 0.000 0.901 273 L CB 0.869 42.974 42.059 0.076 0.000 1.369 273 L HN 0.472 nan 8.230 nan 0.000 0.415 274 F N 1.582 121.523 119.950 -0.015 0.000 2.467 274 F HA 0.603 5.130 4.527 -0.000 0.000 0.362 274 F C 1.133 176.821 175.800 -0.187 0.000 1.090 274 F CA 0.325 58.270 58.000 -0.092 0.000 1.202 274 F CB 1.471 40.432 39.000 -0.066 0.000 1.113 274 F HN 0.698 nan 8.300 nan 0.000 0.541 275 S N 3.750 119.372 115.700 -0.130 0.000 2.596 275 S HA 0.531 5.001 4.470 -0.000 0.000 0.318 275 S C -0.899 173.470 174.600 -0.385 0.000 1.097 275 S CA -0.679 57.362 58.200 -0.263 0.000 1.080 275 S CB 0.072 63.055 63.200 -0.361 0.000 0.991 275 S HN 0.693 nan 8.310 nan 0.000 0.471 276 C N 5.807 124.875 119.300 -0.388 0.000 2.330 276 C HA 0.639 5.099 4.460 -0.000 0.000 0.344 276 C C -0.119 174.804 174.990 -0.111 0.000 1.273 276 C CA -0.797 57.913 59.018 -0.513 0.000 1.879 276 C CB -0.646 26.378 27.740 -1.193 0.000 2.376 276 C HN 0.803 nan 8.230 nan 0.000 0.534 277 H N 0.763 119.903 119.070 0.117 0.000 2.569 277 H HA 0.575 5.131 4.556 -0.000 0.000 0.357 277 H C -0.656 174.993 175.328 0.536 0.000 1.153 277 H CA -0.261 55.971 56.048 0.307 0.000 1.193 277 H CB 1.160 31.012 29.762 0.148 0.000 1.602 277 H HN 0.756 nan 8.280 nan 0.000 0.523 278 H N 1.550 120.841 119.070 0.368 0.000 2.717 278 H HA 0.229 4.785 4.556 -0.000 0.000 0.366 278 H C 0.384 175.745 175.328 0.055 0.000 1.132 278 H CA -0.618 55.489 56.048 0.099 0.000 1.180 278 H CB 1.106 30.745 29.762 -0.205 0.000 1.678 278 H HN 0.379 nan 8.280 nan 0.000 0.537 279 M N 1.566 120.989 119.600 -0.294 0.000 2.561 279 M HA 0.155 4.635 4.480 -0.000 0.000 0.238 279 M C -0.118 176.108 176.300 -0.123 0.000 1.131 279 M CA 0.316 55.525 55.300 -0.153 0.000 1.046 279 M CB -0.994 31.522 32.600 -0.140 0.000 1.532 279 M HN 0.479 nan 8.290 nan 0.000 0.497 280 S N -0.760 114.866 115.700 -0.125 0.000 2.671 280 S HA 0.743 5.213 4.470 -0.000 0.000 0.299 280 S C -2.822 171.834 174.600 0.093 0.000 1.116 280 S CA -1.605 56.595 58.200 -0.000 0.000 0.912 280 S CB 1.410 64.611 63.200 0.002 0.000 1.130 280 S HN -0.065 nan 8.310 nan 0.000 0.501 281 P HA 0.330 nan 4.420 nan 0.000 0.268 281 P C -0.897 176.402 177.300 -0.001 0.000 1.208 281 P CA -0.083 63.037 63.100 0.033 0.000 0.777 281 P CB 0.275 31.984 31.700 0.016 0.000 0.875 282 K N 1.833 122.188 120.400 -0.075 0.000 2.557 282 K HA 0.557 4.877 4.320 -0.000 0.000 0.257 282 K C -2.043 174.455 176.600 -0.170 0.000 0.933 282 K CA -0.689 55.477 56.287 -0.201 0.000 0.820 282 K CB 1.209 33.418 32.500 -0.485 0.000 1.330 282 K HN 0.358 nan 8.250 nan 0.000 0.432 283 L N 5.630 126.756 121.223 -0.161 0.000 2.349 283 L HA 0.560 4.900 4.340 -0.000 0.000 0.278 283 L C -1.473 175.367 176.870 -0.049 0.000 0.996 283 L CA -0.945 53.820 54.840 -0.126 0.000 0.825 283 L CB 1.049 43.022 42.059 -0.144 0.000 1.243 283 L HN 0.627 nan 8.230 nan 0.000 0.412 284 I N 7.309 127.897 120.570 0.029 0.000 2.315 284 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 284 I C -2.003 174.174 176.117 0.099 0.000 1.006 284 I CA -2.143 59.214 61.300 0.094 0.000 1.265 284 I CB 0.972 39.091 38.000 0.198 0.000 1.387 284 I HN 0.458 nan 8.210 nan 0.000 0.475 285 P HA -0.008 nan 4.420 nan 0.000 0.268 285 P C 0.594 177.983 177.300 0.150 0.000 1.205 285 P CA -0.073 63.095 63.100 0.113 0.000 0.771 285 P CB 0.379 32.130 31.700 0.084 0.000 0.858 286 Y N 6.836 127.174 120.300 0.064 0.000 2.038 286 Y HA -0.299 4.251 4.550 -0.000 0.000 0.266 286 Y C -0.879 175.056 175.900 0.058 0.000 1.220 286 Y CA 2.900 61.036 58.100 0.059 0.000 1.107 286 Y CB -2.296 36.187 38.460 0.039 0.000 0.932 286 Y HN 0.429 nan 8.280 nan 0.000 0.500 287 P HA -0.225 nan 4.420 nan 0.000 0.216 287 P C 1.939 179.268 177.300 0.049 0.000 1.154 287 P CA 2.455 65.558 63.100 0.004 0.000 0.865 287 P CB -0.128 31.623 31.700 0.085 0.000 0.789 288 V N -0.387 119.538 119.914 0.018 0.000 2.453 288 V HA -0.200 3.919 4.120 -0.000 0.000 0.247 288 V C 2.504 178.503 176.094 -0.158 0.000 1.048 288 V CA 1.574 63.815 62.300 -0.098 0.000 1.049 288 V CB -0.927 30.874 31.823 -0.036 0.000 0.672 288 V HN 0.073 nan 8.190 nan 0.000 0.457 289 R N -0.383 120.116 120.500 -0.001 0.000 2.094 289 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 289 R C 2.321 178.598 176.300 -0.037 0.000 1.137 289 R CA 1.716 57.857 56.100 0.068 0.000 0.943 289 R CB -0.556 29.754 30.300 0.016 0.000 0.850 289 R HN 0.356 nan 8.270 nan 0.000 0.433 290 M N 0.886 120.373 119.600 -0.188 0.000 2.192 290 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 290 M C 2.214 178.539 176.300 0.042 0.000 1.071 290 M CA 1.580 56.813 55.300 -0.110 0.000 1.082 290 M CB -1.218 31.250 32.600 -0.220 0.000 1.373 290 M HN 0.078 nan 8.290 nan 0.000 0.408 291 S N 0.990 116.642 115.700 -0.080 0.000 2.354 291 S HA -0.128 4.342 4.470 -0.000 0.000 0.219 291 S C 1.693 176.147 174.600 -0.243 0.000 1.035 291 S CA 1.350 59.277 58.200 -0.454 0.000 1.037 291 S CB -0.756 61.897 63.200 -0.912 0.000 0.956 291 S HN 0.365 nan 8.310 nan 0.000 0.428 292 F N 2.276 122.212 119.950 -0.022 0.000 2.408 292 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 292 F C 2.562 178.425 175.800 0.104 0.000 1.090 292 F CA 0.470 58.515 58.000 0.075 0.000 1.427 292 F CB -0.990 38.027 39.000 0.029 0.000 1.070 292 F HN 0.318 nan 8.300 nan 0.000 0.549 293 Q N 1.278 121.181 119.800 0.172 0.000 2.016 293 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 293 Q C 2.350 178.400 176.000 0.083 0.000 0.978 293 Q CA 2.098 57.962 55.803 0.101 0.000 0.833 293 Q CB -0.421 28.338 28.738 0.035 0.000 0.895 293 Q HN 0.580 nan 8.270 nan 0.000 0.427 294 I N -0.214 120.402 120.570 0.077 0.000 2.493 294 I HA -0.159 4.011 4.170 -0.000 0.000 0.254 294 I C 2.023 178.193 176.117 0.089 0.000 1.160 294 I CA 0.956 62.292 61.300 0.061 0.000 1.445 294 I CB -0.256 37.776 38.000 0.054 0.000 1.086 294 I HN 0.352 nan 8.210 nan 0.000 0.433 295 F N 1.733 121.678 119.950 -0.007 0.000 2.095 295 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 295 F C 2.679 178.492 175.800 0.021 0.000 1.104 295 F CA 1.903 59.906 58.000 0.005 0.000 1.232 295 F CB -1.028 38.002 39.000 0.052 0.000 0.987 295 F HN 0.222 nan 8.300 nan 0.000 0.475 296 S N -0.376 115.194 115.700 -0.217 0.000 2.383 296 S HA -0.298 4.172 4.470 -0.000 0.000 0.229 296 S C 2.196 176.670 174.600 -0.209 0.000 1.030 296 S CA 1.589 59.606 58.200 -0.305 0.000 1.002 296 S CB -0.710 62.446 63.200 -0.074 0.000 0.829 296 S HN 0.753 nan 8.310 nan 0.000 0.467 297 Q N 0.134 119.868 119.800 -0.109 0.000 2.046 297 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 297 Q C 2.068 178.008 176.000 -0.100 0.000 0.975 297 Q CA 2.045 57.803 55.803 -0.075 0.000 0.836 297 Q CB -0.204 28.516 28.738 -0.030 0.000 0.896 297 Q HN 0.535 nan 8.270 nan 0.000 0.428 298 V N 0.556 120.409 119.914 -0.101 0.000 2.261 298 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 298 V C 2.583 178.594 176.094 -0.138 0.000 1.047 298 V CA 1.677 63.930 62.300 -0.078 0.000 1.015 298 V CB -0.982 30.843 31.823 0.003 0.000 0.642 298 V HN 0.660 nan 8.190 nan 0.000 0.446 299 C N -0.011 119.107 119.300 -0.305 0.000 2.413 299 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 299 C C 3.202 178.070 174.990 -0.203 0.000 1.248 299 C CA 1.704 60.542 59.018 -0.299 0.000 1.742 299 C CB -1.105 26.249 27.740 -0.644 0.000 2.017 299 C HN 0.628 nan 8.230 nan 0.000 0.481 300 S N 0.535 116.117 115.700 -0.197 0.000 2.356 300 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 300 S C 2.210 176.716 174.600 -0.156 0.000 1.032 300 S CA 1.541 59.646 58.200 -0.159 0.000 1.005 300 S CB -0.638 62.496 63.200 -0.109 0.000 0.867 300 S HN 0.844 nan 8.310 nan 0.000 0.449 301 A N 1.445 124.194 122.820 -0.119 0.000 1.851 301 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 301 A C 2.048 179.566 177.584 -0.111 0.000 1.195 301 A CA 1.628 53.606 52.037 -0.099 0.000 0.622 301 A CB -0.970 17.990 19.000 -0.068 0.000 0.831 301 A HN 0.379 nan 8.150 nan 0.000 0.444 302 I N -0.264 120.248 120.570 -0.098 0.000 2.113 302 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 302 I C 2.435 178.474 176.117 -0.131 0.000 1.057 302 I CA 1.730 62.979 61.300 -0.084 0.000 1.314 302 I CB -0.386 37.586 38.000 -0.047 0.000 1.022 302 I HN 0.166 nan 8.210 nan 0.000 0.408 303 V N -0.234 119.555 119.914 -0.208 0.000 2.427 303 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 303 V C 2.399 178.276 176.094 -0.363 0.000 1.051 303 V CA 1.953 64.042 62.300 -0.352 0.000 1.048 303 V CB -0.699 30.754 31.823 -0.616 0.000 0.666 303 V HN 0.504 nan 8.190 nan 0.000 0.456 304 E N 0.377 120.406 120.200 -0.285 0.000 2.038 304 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 304 E C 2.479 178.993 176.600 -0.144 0.000 1.000 304 E CA 1.565 57.835 56.400 -0.216 0.000 0.803 304 E CB -0.098 29.515 29.700 -0.146 0.000 0.750 304 E HN 0.466 nan 8.360 nan 0.000 0.448 305 R N -0.292 120.142 120.500 -0.111 0.000 2.092 305 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 305 R C 2.419 178.679 176.300 -0.067 0.000 1.119 305 R CA 0.895 56.952 56.100 -0.072 0.000 0.970 305 R CB -0.288 29.980 30.300 -0.054 0.000 0.864 305 R HN 0.209 nan 8.270 nan 0.000 0.440 306 L N 1.342 122.515 121.223 -0.083 0.000 2.012 306 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 306 L C 2.067 178.904 176.870 -0.056 0.000 1.073 306 L CA 1.846 56.648 54.840 -0.064 0.000 0.748 306 L CB -0.446 41.566 42.059 -0.078 0.000 0.891 306 L HN 0.112 nan 8.230 nan 0.000 0.431 307 E N -0.872 119.273 120.200 -0.093 0.000 2.285 307 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 307 E C 2.019 178.609 176.600 -0.017 0.000 0.997 307 E CA 0.782 57.154 56.400 -0.047 0.000 0.845 307 E CB 0.061 29.704 29.700 -0.095 0.000 0.782 307 E HN 0.748 nan 8.360 nan 0.000 0.491 308 Q N -0.204 119.575 119.800 -0.035 0.000 2.163 308 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 308 Q C 2.092 178.085 176.000 -0.011 0.000 0.954 308 Q CA 1.400 57.193 55.803 -0.017 0.000 0.851 308 Q CB -0.487 28.236 28.738 -0.024 0.000 0.928 308 Q HN 0.084 nan 8.270 nan 0.000 0.459 309 G N 1.781 110.572 108.800 -0.016 0.000 2.459 309 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 309 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 309 G C 1.564 176.462 174.900 -0.002 0.000 1.183 309 G CA 0.941 46.035 45.100 -0.010 0.000 0.776 309 G HN 0.390 nan 8.290 nan 0.000 0.552 310 R N 0.125 120.627 120.500 0.002 0.000 2.097 310 R HA -0.081 4.259 4.340 -0.000 0.000 0.236 310 R C 2.645 178.953 176.300 0.013 0.000 1.135 310 R CA 1.847 57.954 56.100 0.012 0.000 0.934 310 R CB -0.449 29.865 30.300 0.024 0.000 0.846 310 R HN 0.425 nan 8.270 nan 0.000 0.431 311 I N 0.821 121.401 120.570 0.017 0.000 2.163 311 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 311 I C 2.656 178.776 176.117 0.005 0.000 1.085 311 I CA 1.368 62.677 61.300 0.015 0.000 1.347 311 I CB -0.474 37.539 38.000 0.021 0.000 1.044 311 I HN 0.367 nan 8.210 nan 0.000 0.408 312 A N 0.347 123.168 122.820 0.002 0.000 1.958 312 A HA -0.319 4.001 4.320 -0.000 0.000 0.221 312 A C 2.180 179.763 177.584 -0.002 0.000 1.178 312 A CA 2.379 54.415 52.037 -0.002 0.000 0.642 312 A CB -0.607 18.390 19.000 -0.004 0.000 0.816 312 A HN 0.471 nan 8.150 nan 0.000 0.453 313 E N 0.418 120.619 120.200 0.000 0.000 2.015 313 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 313 E C 1.916 178.517 176.600 0.001 0.000 0.991 313 E CA 1.537 57.937 56.400 0.001 0.000 0.802 313 E CB -0.482 29.220 29.700 0.003 0.000 0.759 313 E HN 0.565 nan 8.360 nan 0.000 0.447 314 L N 0.266 121.490 121.223 0.002 0.000 2.081 314 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 314 L C 2.586 179.454 176.870 -0.005 0.000 1.080 314 L CA 0.943 55.783 54.840 0.000 0.000 0.754 314 L CB -0.824 41.236 42.059 0.002 0.000 0.893 314 L HN 0.239 nan 8.230 nan 0.000 0.433 315 L N 0.257 121.476 121.223 -0.006 0.000 2.083 315 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 315 L C 2.792 179.656 176.870 -0.011 0.000 1.083 315 L CA 1.647 56.480 54.840 -0.012 0.000 0.752 315 L CB -0.643 41.409 42.059 -0.011 0.000 0.899 315 L HN 0.148 nan 8.230 nan 0.000 0.433 316 R N -0.904 119.592 120.500 -0.007 0.000 2.062 316 R HA -0.097 4.243 4.340 -0.000 0.000 0.226 316 R C 2.321 178.618 176.300 -0.004 0.000 1.125 316 R CA 1.568 57.664 56.100 -0.006 0.000 0.966 316 R CB -0.343 29.954 30.300 -0.004 0.000 0.861 316 R HN 0.418 nan 8.270 nan 0.000 0.433 317 V N -0.070 119.843 119.914 -0.002 0.000 2.515 317 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 317 V C 2.180 178.274 176.094 -0.000 0.000 1.058 317 V CA 2.386 64.686 62.300 0.000 0.000 1.064 317 V CB -0.386 31.438 31.823 0.003 0.000 0.675 317 V HN 0.478 nan 8.190 nan 0.000 0.461 318 S N 1.773 117.471 115.700 -0.004 0.000 2.345 318 S HA -0.227 4.243 4.470 -0.000 0.000 0.220 318 S C 2.183 176.778 174.600 -0.009 0.000 1.031 318 S CA 2.555 60.751 58.200 -0.008 0.000 0.996 318 S CB -1.245 61.945 63.200 -0.018 0.000 0.882 318 S HN 0.880 nan 8.310 nan 0.000 0.445 319 T N 0.764 115.311 114.554 -0.012 0.000 2.746 319 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 319 T C 1.738 176.434 174.700 -0.007 0.000 1.039 319 T CA 1.259 63.352 62.100 -0.011 0.000 1.142 319 T CB -0.604 68.256 68.868 -0.013 0.000 0.866 319 T HN 0.360 nan 8.240 nan 0.000 0.444 320 E N 1.202 121.399 120.200 -0.005 0.000 2.153 320 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 320 E C 2.404 179.004 176.600 0.000 0.000 0.988 320 E CA 0.698 57.097 56.400 -0.003 0.000 0.811 320 E CB -0.241 29.458 29.700 -0.002 0.000 0.746 320 E HN 0.536 nan 8.360 nan 0.000 0.466 321 R N 0.413 120.915 120.500 0.004 0.000 2.070 321 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 321 R C 2.556 178.862 176.300 0.010 0.000 1.138 321 R CA 1.162 57.268 56.100 0.010 0.000 0.936 321 R CB -0.195 30.115 30.300 0.017 0.000 0.839 321 R HN 0.029 nan 8.270 nan 0.000 0.429 322 R N 0.739 121.245 120.500 0.010 0.000 2.115 322 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 322 R C 2.376 178.675 176.300 -0.002 0.000 1.133 322 R CA 1.843 57.949 56.100 0.010 0.000 0.935 322 R CB -0.507 29.796 30.300 0.004 0.000 0.853 322 R HN 0.215 nan 8.270 nan 0.000 0.433 323 L N -0.156 121.064 121.223 -0.006 0.000 2.042 323 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 323 L C 2.751 179.615 176.870 -0.009 0.000 1.076 323 L CA 1.390 56.224 54.840 -0.010 0.000 0.749 323 L CB -0.817 41.236 42.059 -0.009 0.000 0.893 323 L HN 0.321 nan 8.230 nan 0.000 0.432 324 A N 0.288 123.106 122.820 -0.005 0.000 1.927 324 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 324 A C 2.308 179.888 177.584 -0.006 0.000 1.185 324 A CA 1.965 54.000 52.037 -0.004 0.000 0.639 324 A CB -0.765 18.236 19.000 0.001 0.000 0.820 324 A HN 0.405 nan 8.150 nan 0.000 0.451 325 L N -0.837 120.382 121.223 -0.006 0.000 2.109 325 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 325 L C 2.580 179.433 176.870 -0.028 0.000 1.086 325 L CA 2.317 57.149 54.840 -0.013 0.000 0.760 325 L CB -1.346 40.710 42.059 -0.006 0.000 0.910 325 L HN 0.394 nan 8.230 nan 0.000 0.437 326 A N 0.382 123.184 122.820 -0.030 0.000 1.873 326 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 326 A C 2.306 179.870 177.584 -0.033 0.000 1.186 326 A CA 1.374 53.386 52.037 -0.041 0.000 0.616 326 A CB -0.548 18.428 19.000 -0.040 0.000 0.823 326 A HN 0.448 nan 8.150 nan 0.000 0.442 327 R N -0.805 119.681 120.500 -0.023 0.000 2.159 327 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 327 R C 2.156 178.446 176.300 -0.017 0.000 1.131 327 R CA 1.451 57.540 56.100 -0.018 0.000 0.982 327 R CB -0.208 30.084 30.300 -0.013 0.000 0.868 327 R HN 0.457 nan 8.270 nan 0.000 0.453 328 R N -0.781 119.709 120.500 -0.017 0.000 2.275 328 R HA 0.064 4.404 4.340 -0.000 0.000 0.199 328 R C 1.623 177.911 176.300 -0.020 0.000 0.989 328 R CA 0.842 56.934 56.100 -0.014 0.000 1.016 328 R CB 0.326 30.621 30.300 -0.009 0.000 0.918 328 R HN 0.161 nan 8.270 nan 0.000 0.473 329 A N 0.226 123.027 122.820 -0.032 0.000 2.026 329 A HA 0.043 4.363 4.320 -0.000 0.000 0.201 329 A C 1.835 179.397 177.584 -0.037 0.000 1.318 329 A CA -0.115 51.898 52.037 -0.040 0.000 0.857 329 A CB -0.066 18.895 19.000 -0.064 0.000 0.939 329 A HN 0.140 nan 8.150 nan 0.000 0.476 330 R N 0.003 120.480 120.500 -0.038 0.000 2.249 330 R HA -0.150 4.189 4.340 -0.000 0.000 0.230 330 R C -0.052 176.235 176.300 -0.021 0.000 1.121 330 R CA 1.881 57.962 56.100 -0.031 0.000 0.997 330 R CB -0.078 30.203 30.300 -0.030 0.000 0.867 330 R HN 0.332 nan 8.270 nan 0.000 0.465 331 D N -0.866 119.523 120.400 -0.018 0.000 2.469 331 D HA 0.207 4.847 4.640 -0.000 0.000 0.213 331 D C -0.517 175.778 176.300 -0.009 0.000 1.135 331 D CA 0.272 54.265 54.000 -0.012 0.000 0.834 331 D CB 1.230 42.024 40.800 -0.009 0.000 1.009 331 D HN 0.276 nan 8.370 nan 0.000 0.507 332 A N 0.331 123.144 122.820 -0.012 0.000 2.355 332 A HA 0.518 4.837 4.320 -0.000 0.000 0.324 332 A C -0.441 177.140 177.584 -0.005 0.000 1.117 332 A CA -0.532 51.501 52.037 -0.007 0.000 0.785 332 A CB 1.957 20.952 19.000 -0.008 0.000 1.254 332 A HN -0.201 nan 8.150 nan 0.000 0.453 333 D N -0.125 120.276 120.400 0.001 0.000 2.478 333 D HA 0.400 5.040 4.640 -0.000 0.000 0.263 333 D C -0.464 175.845 176.300 0.015 0.000 1.153 333 D CA 0.415 54.419 54.000 0.007 0.000 1.038 333 D CB 0.922 41.726 40.800 0.007 0.000 1.120 333 D HN 0.633 nan 8.370 nan 0.000 0.564 334 D N 0.523 120.940 120.400 0.029 0.000 2.927 334 D HA -0.173 4.467 4.640 -0.000 0.000 0.236 334 D C 1.161 177.501 176.300 0.066 0.000 1.163 334 D CA 0.173 54.206 54.000 0.056 0.000 0.801 334 D CB -0.781 40.048 40.800 0.049 0.000 0.975 334 D HN 0.345 nan 8.370 nan 0.000 0.413 335 L N 0.326 121.588 121.223 0.065 0.000 2.189 335 L HA -0.200 4.140 4.340 -0.000 0.000 0.214 335 L C 2.168 179.081 176.870 0.072 0.000 1.097 335 L CA 1.404 56.269 54.840 0.042 0.000 0.764 335 L CB -0.402 41.676 42.059 0.032 0.000 0.900 335 L HN 0.407 nan 8.230 nan 0.000 0.436 336 F N 0.541 120.487 119.950 -0.008 0.000 2.128 336 F HA -0.055 4.472 4.527 -0.000 0.000 0.295 336 F C 2.275 178.062 175.800 -0.022 0.000 1.100 336 F CA 1.534 59.533 58.000 -0.001 0.000 1.260 336 F CB -0.346 38.659 39.000 0.008 0.000 1.009 336 F HN -0.044 nan 8.300 nan 0.000 0.476 337 G N -0.583 108.293 108.800 0.126 0.000 2.448 337 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 337 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 337 G C 1.714 176.562 174.900 -0.087 0.000 1.135 337 G CA 0.591 45.688 45.100 -0.004 0.000 0.784 337 G HN 0.562 nan 8.290 nan 0.000 0.543 338 A N 0.674 123.462 122.820 -0.052 0.000 1.929 338 A HA 0.214 4.534 4.320 -0.000 0.000 0.216 338 A C 2.256 179.795 177.584 -0.074 0.000 1.176 338 A CA 0.682 52.690 52.037 -0.049 0.000 0.628 338 A CB -0.334 18.648 19.000 -0.030 0.000 0.816 338 A HN 0.315 nan 8.150 nan 0.000 0.444 339 L N -1.026 120.124 121.223 -0.121 0.000 2.450 339 L HA -0.140 4.199 4.340 -0.000 0.000 0.224 339 L C 2.497 179.267 176.870 -0.167 0.000 1.149 339 L CA 0.780 55.528 54.840 -0.153 0.000 0.816 339 L CB -0.192 41.743 42.059 -0.206 0.000 0.932 339 L HN 0.484 nan 8.230 nan 0.000 0.449 340 A N -2.889 119.828 122.820 -0.172 0.000 2.127 340 A HA 0.049 4.369 4.320 -0.000 0.000 0.204 340 A C 0.751 178.306 177.584 -0.047 0.000 1.243 340 A CA -0.201 51.719 52.037 -0.196 0.000 0.887 340 A CB -0.071 18.721 19.000 -0.347 0.000 0.933 340 A HN 0.206 nan 8.150 nan 0.000 0.479 341 H N 2.319 121.350 119.070 -0.065 0.000 3.412 341 H HA 0.095 4.651 4.556 -0.000 0.000 0.240 341 H C -1.423 173.886 175.328 -0.032 0.000 1.213 341 H CA -1.672 54.356 56.048 -0.034 0.000 1.497 341 H CB 0.499 30.249 29.762 -0.019 0.000 1.619 341 H HN 0.287 nan 8.280 nan 0.000 0.508 342 P HA -0.207 nan 4.420 nan 0.000 0.219 342 P C 0.580 177.899 177.300 0.031 0.000 1.145 342 P CA 1.224 64.349 63.100 0.042 0.000 0.813 342 P CB 0.550 32.277 31.700 0.045 0.000 0.771 343 D N -0.257 120.160 120.400 0.029 0.000 2.234 343 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 343 D C 1.285 177.596 176.300 0.018 0.000 0.962 343 D CA 0.876 54.882 54.000 0.010 0.000 0.855 343 D CB -0.523 40.260 40.800 -0.029 0.000 0.951 343 D HN 0.218 nan 8.370 nan 0.000 0.500 344 D N 0.250 120.668 120.400 0.031 0.000 2.339 344 D HA 0.117 4.757 4.640 -0.000 0.000 0.217 344 D C 1.040 177.349 176.300 0.016 0.000 1.050 344 D CA -0.027 53.990 54.000 0.027 0.000 0.856 344 D CB 0.308 41.132 40.800 0.040 0.000 0.922 344 D HN 0.048 nan 8.370 nan 0.000 0.518 345 G N -0.023 108.784 108.800 0.012 0.000 2.684 345 G HA2 0.081 4.041 3.960 -0.000 0.000 0.255 345 G HA3 0.081 4.041 3.960 -0.000 0.000 0.255 345 G C 1.135 176.033 174.900 -0.003 0.000 1.219 345 G CA -0.537 44.551 45.100 -0.019 0.000 0.901 345 G HN 0.045 nan 8.290 nan 0.000 0.548 346 I N 1.249 121.781 120.570 -0.063 0.000 2.118 346 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 346 I C 3.110 179.303 176.117 0.125 0.000 1.070 346 I CA 2.244 63.499 61.300 -0.075 0.000 1.327 346 I CB -0.355 37.402 38.000 -0.405 0.000 1.034 346 I HN 0.502 nan 8.210 nan 0.000 0.405 347 A N -0.101 122.753 122.820 0.058 0.000 2.186 347 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 347 A C 2.233 179.930 177.584 0.187 0.000 1.159 347 A CA 1.500 53.643 52.037 0.175 0.000 0.680 347 A CB -0.922 18.132 19.000 0.091 0.000 0.787 347 A HN 0.434 nan 8.150 nan 0.000 0.467 348 A N -1.150 121.756 122.820 0.144 0.000 2.251 348 A HA 0.441 4.761 4.320 -0.000 0.000 0.209 348 A C 1.729 179.386 177.584 0.121 0.000 1.187 348 A CA 0.395 52.497 52.037 0.109 0.000 0.823 348 A CB -0.222 18.819 19.000 0.068 0.000 0.846 348 A HN 0.462 nan 8.150 nan 0.000 0.486 349 L N -0.976 120.369 121.223 0.203 0.000 2.362 349 L HA 0.358 4.698 4.340 -0.000 0.000 0.204 349 L C 0.293 177.182 176.870 0.031 0.000 1.060 349 L CA 0.486 55.413 54.840 0.145 0.000 0.827 349 L CB 0.045 42.246 42.059 0.236 0.000 1.027 349 L HN 0.182 nan 8.230 nan 0.000 0.474 350 I N 0.382 120.970 120.570 0.031 0.000 2.474 350 I HA 0.300 4.470 4.170 -0.000 0.000 0.294 350 I C -2.343 173.811 176.117 0.062 0.000 1.005 350 I CA -2.105 59.121 61.300 -0.124 0.000 1.113 350 I CB 1.952 39.586 38.000 -0.610 0.000 1.289 350 I HN -0.245 nan 8.210 nan 0.000 0.436 351 P HA 0.055 nan 4.420 nan 0.000 0.264 351 P C -0.649 176.718 177.300 0.112 0.000 1.236 351 P CA -0.124 63.013 63.100 0.062 0.000 0.811 351 P CB 0.038 31.747 31.700 0.015 0.000 0.840 352 C N 1.547 120.933 119.300 0.143 0.000 3.321 352 C HA 0.536 4.996 4.460 -0.000 0.000 0.363 352 C C 0.713 175.757 174.990 0.092 0.000 1.705 352 C CA -0.493 58.626 59.018 0.168 0.000 1.298 352 C CB 1.713 29.639 27.740 0.310 0.000 2.086 352 C HN 0.380 nan 8.230 nan 0.000 0.438 353 D N -0.060 120.375 120.400 0.060 0.000 2.455 353 D HA 0.344 4.983 4.640 -0.000 0.000 0.228 353 D C 0.659 177.036 176.300 0.129 0.000 1.070 353 D CA 1.096 55.113 54.000 0.029 0.000 0.881 353 D CB 1.150 41.790 40.800 -0.266 0.000 1.087 353 D HN 1.007 nan 8.370 nan 0.000 0.498 354 G N 0.001 108.916 108.800 0.191 0.000 2.718 354 G HA2 0.624 4.584 3.960 -0.000 0.000 0.295 354 G HA3 0.624 4.584 3.960 -0.000 0.000 0.295 354 G C -1.568 173.436 174.900 0.172 0.000 1.421 354 G CA -0.101 45.136 45.100 0.228 0.000 0.902 354 G HN 0.207 nan 8.290 nan 0.000 0.501 355 A N 0.154 122.996 122.820 0.037 0.000 2.524 355 A HA 0.937 5.257 4.320 -0.000 0.000 0.289 355 A C -1.914 175.553 177.584 -0.195 0.000 1.248 355 A CA -0.771 51.122 52.037 -0.240 0.000 0.712 355 A CB 2.084 20.947 19.000 -0.229 0.000 1.312 355 A HN 1.634 nan 8.150 nan 0.000 0.441 356 L N 0.413 121.459 121.223 -0.295 0.000 2.641 356 L HA 0.507 4.847 4.340 -0.000 0.000 0.261 356 L C -1.832 175.006 176.870 -0.054 0.000 0.926 356 L CA -0.210 54.568 54.840 -0.104 0.000 0.917 356 L CB 1.556 43.602 42.059 -0.022 0.000 1.361 356 L HN 0.509 nan 8.230 nan 0.000 0.417 357 V N 5.971 125.883 119.914 -0.004 0.000 2.293 357 V HA 0.448 4.568 4.120 -0.000 0.000 0.275 357 V C 0.280 176.509 176.094 0.224 0.000 1.021 357 V CA -0.268 62.070 62.300 0.062 0.000 0.815 357 V CB 1.495 33.268 31.823 -0.085 0.000 1.025 357 V HN 0.780 nan 8.190 nan 0.000 0.448 358 M N 6.600 126.359 119.600 0.264 0.000 2.205 358 M HA 0.769 5.249 4.480 -0.000 0.000 0.344 358 M C -1.919 174.503 176.300 0.203 0.000 1.085 358 M CA -0.675 54.775 55.300 0.250 0.000 1.001 358 M CB 1.669 34.418 32.600 0.248 0.000 1.626 358 M HN 0.563 nan 8.290 nan 0.000 0.442 359 L N 5.532 126.869 121.223 0.190 0.000 2.592 359 L HA 0.736 5.076 4.340 -0.000 0.000 0.258 359 L C -0.138 176.781 176.870 0.082 0.000 0.926 359 L CA 1.128 56.046 54.840 0.129 0.000 0.885 359 L CB 1.616 43.818 42.059 0.239 0.000 1.380 359 L HN 0.969 nan 8.230 nan 0.000 0.415 360 G N 3.826 112.655 108.800 0.049 0.000 2.543 360 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.286 360 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.286 360 G C 0.524 175.430 174.900 0.011 0.000 1.153 360 G CA 0.171 45.282 45.100 0.020 0.000 0.968 360 G HN 1.927 nan 8.290 nan 0.000 0.544 361 G N -0.044 108.745 108.800 -0.018 0.000 3.993 361 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 361 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 361 G C 0.234 175.103 174.900 -0.051 0.000 1.043 361 G CA 0.858 45.944 45.100 -0.024 0.000 0.839 361 G HN 0.588 nan 8.290 nan 0.000 0.516 362 R N 0.031 120.491 120.500 -0.067 0.000 2.599 362 R HA 0.684 5.024 4.340 -0.000 0.000 0.295 362 R C -1.167 175.125 176.300 -0.013 0.000 0.963 362 R CA -0.241 55.773 56.100 -0.142 0.000 0.883 362 R CB 1.928 31.993 30.300 -0.391 0.000 1.171 362 R HN 0.097 nan 8.270 nan 0.000 0.450 363 T N 3.033 117.609 114.554 0.037 0.000 2.901 363 T HA 0.600 4.950 4.350 -0.000 0.000 0.293 363 T C -1.740 173.114 174.700 0.257 0.000 1.084 363 T CA -0.621 61.579 62.100 0.167 0.000 1.008 363 T CB 1.065 69.978 68.868 0.075 0.000 1.170 363 T HN 0.458 nan 8.240 nan 0.000 0.509 364 L N 2.611 123.987 121.223 0.256 0.000 2.580 364 L HA 0.457 4.796 4.340 -0.000 0.000 0.266 364 L C -0.460 176.466 176.870 0.093 0.000 0.955 364 L CA -0.607 54.349 54.840 0.193 0.000 0.886 364 L CB 1.989 44.207 42.059 0.264 0.000 1.263 364 L HN 0.778 nan 8.230 nan 0.000 0.406 365 S N 4.843 120.588 115.700 0.076 0.000 3.036 365 S HA 0.313 4.783 4.470 -0.000 0.000 0.301 365 S C -0.077 174.562 174.600 0.064 0.000 1.205 365 S CA -0.616 57.626 58.200 0.069 0.000 0.999 365 S CB 0.094 63.332 63.200 0.062 0.000 1.337 365 S HN 0.564 nan 8.310 nan 0.000 0.515 366 I N 2.505 123.104 120.570 0.048 0.000 2.696 366 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 366 I C 0.465 176.624 176.117 0.071 0.000 1.129 366 I CA -0.171 61.154 61.300 0.041 0.000 1.410 366 I CB 0.388 38.391 38.000 0.005 0.000 1.399 366 I HN 0.794 nan 8.210 nan 0.000 0.579 372 R N 1.004 121.462 120.500 -0.070 0.000 2.073 372 R HA 0.064 4.404 4.340 -0.000 0.000 0.229 372 R C 2.144 178.379 176.300 -0.109 0.000 1.120 372 R CA 1.760 57.814 56.100 -0.076 0.000 0.967 372 R CB 0.047 30.312 30.300 -0.058 0.000 0.862 372 R HN 0.168 nan 8.270 nan 0.000 0.436 373 Q N -0.400 119.316 119.800 -0.140 0.000 2.291 373 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 373 Q C 1.883 177.729 176.000 -0.256 0.000 0.976 373 Q CA 1.275 56.961 55.803 -0.195 0.000 0.875 373 Q CB 0.043 28.625 28.738 -0.261 0.000 0.927 373 Q HN 0.457 nan 8.270 nan 0.000 0.450 374 A N 0.255 122.917 122.820 -0.262 0.000 1.969 374 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 374 A C 2.117 179.542 177.584 -0.265 0.000 1.169 374 A CA 1.482 53.307 52.037 -0.353 0.000 0.635 374 A CB -0.596 18.239 19.000 -0.274 0.000 0.810 374 A HN 0.452 nan 8.150 nan 0.000 0.445 375 G N -1.154 107.544 108.800 -0.170 0.000 2.813 375 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.209 375 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.209 375 G C 1.131 175.961 174.900 -0.116 0.000 1.150 375 G CA 0.643 45.669 45.100 -0.124 0.000 0.785 375 G HN 0.472 nan 8.290 nan 0.000 0.535 376 N N -0.308 118.312 118.700 -0.132 0.000 2.454 376 N HA 0.018 4.758 4.740 -0.000 0.000 0.177 376 N C 2.213 177.665 175.510 -0.098 0.000 1.049 376 N CA 0.303 53.300 53.050 -0.089 0.000 0.887 376 N CB 0.400 38.851 38.487 -0.060 0.000 1.095 376 N HN 0.128 nan 8.380 nan 0.000 0.446 377 V N 0.977 120.774 119.914 -0.194 0.000 2.488 377 V HA -0.036 4.084 4.120 -0.000 0.000 0.246 377 V C 2.128 178.057 176.094 -0.276 0.000 1.046 377 V CA 0.745 62.905 62.300 -0.234 0.000 1.053 377 V CB -0.270 31.327 31.823 -0.376 0.000 0.679 377 V HN 0.140 nan 8.190 nan 0.000 0.458 378 L N 0.277 121.315 121.223 -0.308 0.000 2.275 378 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 378 L C 2.262 179.024 176.870 -0.180 0.000 1.119 378 L CA 1.800 56.451 54.840 -0.315 0.000 0.790 378 L CB -0.578 41.315 42.059 -0.277 0.000 0.919 378 L HN 0.420 nan 8.230 nan 0.000 0.443 379 Q N -1.133 118.587 119.800 -0.133 0.000 2.403 379 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 379 Q C 1.938 177.901 176.000 -0.061 0.000 0.932 379 Q CA 0.358 56.114 55.803 -0.078 0.000 0.945 379 Q CB 0.192 28.895 28.738 -0.058 0.000 1.045 379 Q HN 0.447 nan 8.270 nan 0.000 0.511 380 R N -0.676 119.777 120.500 -0.078 0.000 2.335 380 R HA 0.238 4.578 4.340 -0.000 0.000 0.210 380 R C 0.694 176.932 176.300 -0.103 0.000 0.892 380 R CA 0.050 56.119 56.100 -0.052 0.000 1.048 380 R CB 0.507 30.828 30.300 0.036 0.000 1.067 380 R HN 0.237 nan 8.270 nan 0.000 0.524 381 L N 1.466 122.591 121.223 -0.163 0.000 2.851 381 L HA 0.188 4.527 4.340 -0.000 0.000 0.237 381 L C 0.967 177.804 176.870 -0.055 0.000 1.257 381 L CA -0.204 54.551 54.840 -0.142 0.000 1.061 381 L CB 0.538 42.448 42.059 -0.248 0.000 1.372 381 L HN 0.183 nan 8.230 nan 0.000 0.493 382 Q N 0.033 119.808 119.800 -0.042 0.000 2.212 382 Q HA 0.026 4.366 4.340 -0.000 0.000 0.199 382 Q C 1.659 177.662 176.000 0.004 0.000 0.950 382 Q CA 0.895 56.690 55.803 -0.013 0.000 0.863 382 Q CB 0.245 28.972 28.738 -0.019 0.000 0.944 382 Q HN 0.491 nan 8.270 nan 0.000 0.465 383 R N 0.416 120.918 120.500 0.002 0.000 2.317 383 R HA 0.056 4.396 4.340 -0.000 0.000 0.208 383 R C -0.007 176.311 176.300 0.029 0.000 0.914 383 R CA 0.173 56.281 56.100 0.014 0.000 1.060 383 R CB 0.530 30.835 30.300 0.008 0.000 1.015 383 R HN -0.034 nan 8.270 nan 0.000 0.498 384 D N 0.146 120.569 120.400 0.038 0.000 2.772 384 D HA 0.170 4.810 4.640 -0.000 0.000 0.326 384 D C -2.143 174.206 176.300 0.082 0.000 1.207 384 D CA -1.910 52.128 54.000 0.063 0.000 0.777 384 D CB 1.255 42.105 40.800 0.083 0.000 1.169 384 D HN -0.109 nan 8.370 nan 0.000 0.506 385 P HA 0.028 nan 4.420 nan 0.000 0.239 385 P C 0.297 177.659 177.300 0.103 0.000 1.184 385 P CA 0.718 63.871 63.100 0.087 0.000 0.760 385 P CB 0.393 32.128 31.700 0.060 0.000 0.884 386 E N -1.468 118.790 120.200 0.098 0.000 2.758 386 E HA 0.129 4.479 4.350 -0.000 0.000 0.215 386 E C 0.137 176.797 176.600 0.100 0.000 0.985 386 E CA -0.380 56.070 56.400 0.083 0.000 1.102 386 E CB 0.419 30.152 29.700 0.056 0.000 1.042 386 E HN -0.008 nan 8.360 nan 0.000 0.480 387 R N 1.038 121.630 120.500 0.154 0.000 2.389 387 R HA 0.065 4.405 4.340 -0.000 0.000 0.295 387 R C -0.168 176.256 176.300 0.206 0.000 1.075 387 R CA 0.282 56.495 56.100 0.189 0.000 1.005 387 R CB 0.743 31.187 30.300 0.239 0.000 0.987 387 R HN 0.110 nan 8.270 nan 0.000 0.452 388 D N 1.487 121.954 120.400 0.112 0.000 2.379 388 D HA 0.245 4.885 4.640 -0.000 0.000 0.208 388 D C 0.227 176.571 176.300 0.073 0.000 1.065 388 D CA 0.485 54.480 54.000 -0.008 0.000 0.848 388 D CB 0.524 41.294 40.800 -0.049 0.000 0.949 388 D HN 0.379 nan 8.370 nan 0.000 0.509 389 I N -0.819 119.864 120.570 0.189 0.000 3.042 389 I HA 0.424 4.594 4.170 -0.000 0.000 0.310 389 I C -1.470 174.847 176.117 0.334 0.000 1.117 389 I CA -1.279 60.154 61.300 0.222 0.000 1.003 389 I CB 2.627 40.715 38.000 0.146 0.000 1.228 389 I HN -0.278 nan 8.210 nan 0.000 0.443 390 Y N 4.075 124.456 120.300 0.134 0.000 2.480 390 Y HA 0.439 4.989 4.550 -0.000 0.000 0.329 390 Y C -1.479 174.450 175.900 0.048 0.000 1.127 390 Y CA -0.627 57.516 58.100 0.073 0.000 1.037 390 Y CB 1.434 39.924 38.460 0.051 0.000 1.320 390 Y HN 0.585 nan 8.280 nan 0.000 0.446 391 H N 3.152 121.799 119.070 -0.704 0.000 2.966 391 H HA 0.714 5.270 4.556 -0.000 0.000 0.347 391 H C -1.709 173.324 175.328 -0.490 0.000 1.048 391 H CA -0.639 55.092 56.048 -0.530 0.000 1.295 391 H CB 2.107 31.676 29.762 -0.321 0.000 1.744 391 H HN 0.753 nan 8.280 nan 0.000 0.513 392 T N 2.204 116.672 114.554 -0.144 0.000 2.693 392 T HA 0.450 4.800 4.350 -0.000 0.000 0.304 392 T C -1.989 172.956 174.700 0.409 0.000 1.471 392 T CA -0.410 61.751 62.100 0.102 0.000 0.993 392 T CB 1.938 70.863 68.868 0.095 0.000 1.554 392 T HN 0.943 nan 8.240 nan 0.000 0.496 393 D N 0.273 120.866 120.400 0.322 0.000 2.653 393 D HA 0.486 5.126 4.640 -0.000 0.000 0.258 393 D C 0.016 176.384 176.300 0.113 0.000 1.252 393 D CA -0.144 54.014 54.000 0.263 0.000 0.777 393 D CB 0.460 41.371 40.800 0.186 0.000 1.339 393 D HN 0.798 nan 8.370 nan 0.000 0.422 394 N N -1.833 116.887 118.700 0.033 0.000 2.984 394 N HA -0.222 4.518 4.740 -0.000 0.000 0.227 394 N C -0.229 175.333 175.510 0.088 0.000 0.903 394 N CA 0.684 53.695 53.050 -0.066 0.000 0.995 394 N CB -1.744 36.567 38.487 -0.293 0.000 1.065 394 N HN 0.701 nan 8.380 nan 0.000 0.585 407 D N -0.556 119.807 120.400 -0.063 0.000 2.501 407 D HA 0.406 5.045 4.640 -0.000 0.000 0.224 407 D C -0.178 176.087 176.300 -0.059 0.000 1.202 407 D CA -0.231 53.744 54.000 -0.041 0.000 0.829 407 D CB 0.058 40.825 40.800 -0.054 0.000 1.023 407 D HN 0.397 nan 8.370 nan 0.000 0.499 408 C N 0.023 119.252 119.300 -0.119 0.000 2.891 408 C HA 0.346 4.806 4.460 -0.000 0.000 0.342 408 C C 1.326 176.303 174.990 -0.021 0.000 1.126 408 C CA -0.744 58.229 59.018 -0.076 0.000 1.322 408 C CB 1.115 28.736 27.740 -0.197 0.000 1.763 408 C HN 0.585 nan 8.230 nan 0.000 0.491 409 C N 0.595 119.976 119.300 0.136 0.000 2.558 409 C HA 0.405 4.865 4.460 -0.000 0.000 0.288 409 C C 1.322 176.490 174.990 0.296 0.000 1.338 409 C CA 0.258 59.427 59.018 0.251 0.000 1.760 409 C CB -1.249 26.606 27.740 0.192 0.000 2.159 409 C HN 1.020 nan 8.230 nan 0.000 0.518 410 G N 1.273 110.261 108.800 0.315 0.000 2.338 410 G HA2 0.539 4.499 3.960 -0.000 0.000 0.295 410 G HA3 0.539 4.499 3.960 -0.000 0.000 0.295 410 G C -0.921 174.422 174.900 0.737 0.000 1.132 410 G CA 0.189 45.645 45.100 0.594 0.000 0.922 410 G HN 0.287 nan 8.290 nan 0.000 0.427 411 V N 3.907 124.190 119.914 0.615 0.000 2.668 411 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 411 V C -0.378 175.682 176.094 -0.056 0.000 1.071 411 V CA -0.731 61.779 62.300 0.350 0.000 0.894 411 V CB 1.916 33.881 31.823 0.236 0.000 1.008 411 V HN 0.691 nan 8.190 nan 0.000 0.425 412 L N 3.910 125.015 121.223 -0.197 0.000 2.409 412 L HA 0.933 5.273 4.340 -0.000 0.000 0.272 412 L C -0.358 176.552 176.870 0.067 0.000 0.980 412 L CA -0.436 54.221 54.840 -0.305 0.000 0.826 412 L CB 1.887 43.431 42.059 -0.857 0.000 1.268 412 L HN 0.812 nan 8.230 nan 0.000 0.407 413 A N 6.170 129.027 122.820 0.061 0.000 2.356 413 A HA 0.769 5.089 4.320 -0.000 0.000 0.310 413 A C -0.915 176.708 177.584 0.065 0.000 1.075 413 A CA -0.565 51.370 52.037 -0.168 0.000 0.746 413 A CB 1.318 20.151 19.000 -0.279 0.000 1.221 413 A HN 0.694 nan 8.150 nan 0.000 0.443 414 I N -0.596 119.989 120.570 0.025 0.000 2.603 414 I HA 0.847 5.017 4.170 -0.000 0.000 0.300 414 I C -0.342 175.694 176.117 -0.134 0.000 1.017 414 I CA -0.997 60.351 61.300 0.080 0.000 1.098 414 I CB 1.996 40.080 38.000 0.140 0.000 1.279 414 I HN 0.730 nan 8.210 nan 0.000 0.437 415 R N 4.597 124.794 120.500 -0.504 0.000 2.562 415 R HA 0.742 5.082 4.340 -0.000 0.000 0.298 415 R C -1.681 174.286 176.300 -0.554 0.000 0.961 415 R CA -0.391 54.976 56.100 -1.222 0.000 0.881 415 R CB 1.592 30.796 30.300 -1.826 0.000 1.159 415 R HN 0.777 nan 8.270 nan 0.000 0.450 423 W N -0.637 120.235 121.300 -0.713 0.000 3.055 423 W HA 0.852 5.512 4.660 -0.000 0.000 0.340 423 W C -0.161 176.190 176.519 -0.280 0.000 1.180 423 W CA -0.815 56.210 57.345 -0.532 0.000 1.077 423 W CB 1.938 31.324 29.460 -0.124 0.000 1.479 423 W HN 0.432 nan 8.180 nan 0.000 0.593 424 I N 1.013 121.547 120.570 -0.060 0.000 2.775 424 I HA 0.397 4.567 4.170 -0.000 0.000 0.295 424 I C -1.578 174.172 176.117 -0.610 0.000 1.287 424 I CA -0.773 60.433 61.300 -0.155 0.000 1.029 424 I CB 1.945 39.874 38.000 -0.118 0.000 1.282 424 I HN 0.101 nan 8.210 nan 0.000 0.426 425 F N 3.234 122.861 119.950 -0.537 0.000 2.578 425 F HA 0.597 5.124 4.527 -0.000 0.000 0.311 425 F C -1.255 173.909 175.800 -1.061 0.000 1.094 425 F CA -0.633 56.991 58.000 -0.626 0.000 0.923 425 F CB 1.759 40.469 39.000 -0.483 0.000 1.230 425 F HN 0.232 nan 8.300 nan 0.000 0.450 426 W N 2.151 123.151 121.300 -0.500 0.000 2.819 426 W HA 0.771 5.431 4.660 -0.000 0.000 0.337 426 W C -1.639 174.659 176.519 -0.368 0.000 1.077 426 W CA -1.572 55.500 57.345 -0.455 0.000 1.226 426 W CB 0.847 30.203 29.460 -0.174 0.000 1.419 426 W HN 0.216 nan 8.180 nan 0.000 0.502 427 F N 1.637 121.821 119.950 0.389 0.000 2.551 427 F HA 0.714 5.241 4.527 -0.000 0.000 0.316 427 F C 0.388 176.345 175.800 0.262 0.000 1.089 427 F CA -1.464 56.722 58.000 0.310 0.000 0.915 427 F CB 2.087 41.168 39.000 0.135 0.000 1.186 427 F HN 0.054 nan 8.300 nan 0.000 0.456 428 R N 1.150 121.906 120.500 0.427 0.000 2.514 428 R HA 0.303 4.643 4.340 -0.000 0.000 0.296 428 R C -0.880 175.431 176.300 0.017 0.000 1.012 428 R CA -0.952 55.165 56.100 0.029 0.000 0.897 428 R CB 1.726 31.945 30.300 -0.136 0.000 1.184 428 R HN 0.726 nan 8.270 nan 0.000 0.440 429 H N 0.110 119.255 119.070 0.124 0.000 2.294 429 H HA 0.323 4.879 4.556 -0.000 0.000 0.318 429 H C -0.507 174.856 175.328 0.059 0.000 1.644 429 H CA -0.747 55.350 56.048 0.082 0.000 1.466 429 H CB 0.582 30.384 29.762 0.066 0.000 1.735 429 H HN 0.450 nan 8.280 nan 0.000 0.676 430 E N -1.346 119.029 120.200 0.293 0.000 3.935 430 E HA 0.114 4.464 4.350 -0.000 0.000 0.226 430 E C -0.512 176.162 176.600 0.124 0.000 1.220 430 E CA 0.005 56.512 56.400 0.178 0.000 1.226 430 E CB 0.478 30.244 29.700 0.111 0.000 1.237 430 E HN 0.703 nan 8.360 nan 0.000 0.417 431 E N 1.100 121.371 120.200 0.118 0.000 2.451 431 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 431 E C 0.369 177.047 176.600 0.130 0.000 1.027 431 E CA -0.209 56.229 56.400 0.064 0.000 0.914 431 E CB 0.608 30.281 29.700 -0.045 0.000 1.054 431 E HN 0.297 nan 8.360 nan 0.000 0.461 432 V N 0.356 120.371 119.914 0.168 0.000 2.726 432 V HA -0.014 4.106 4.120 -0.000 0.000 0.304 432 V C 0.019 176.303 176.094 0.316 0.000 1.115 432 V CA 0.418 62.839 62.300 0.203 0.000 1.264 432 V CB -0.190 31.744 31.823 0.184 0.000 0.867 432 V HN 0.618 nan 8.190 nan 0.000 0.498 449 P HA 0.577 nan 4.420 nan 0.000 0.293 449 P C 0.362 177.656 177.300 -0.011 0.000 1.304 449 P CA -0.101 62.984 63.100 -0.024 0.000 0.767 449 P CB 1.706 33.387 31.700 -0.032 0.000 1.247 450 S N -2.315 113.383 115.700 -0.003 0.000 2.727 450 S HA 0.326 4.796 4.470 -0.000 0.000 0.249 450 S C 0.678 175.284 174.600 0.010 0.000 1.079 450 S CA 0.258 58.460 58.200 0.004 0.000 0.912 450 S CB -0.458 62.746 63.200 0.007 0.000 0.861 450 S HN 0.595 nan 8.310 nan 0.000 0.484 451 G N 1.492 110.301 108.800 0.015 0.000 2.434 451 G HA2 0.549 4.509 3.960 -0.000 0.000 0.330 451 G HA3 0.549 4.509 3.960 -0.000 0.000 0.330 451 G C -2.092 172.817 174.900 0.016 0.000 1.155 451 G CA -1.230 43.884 45.100 0.023 0.000 0.917 451 G HN 0.178 nan 8.290 nan 0.000 0.493 452 P HA -0.006 nan 4.420 nan 0.000 0.213 452 P C 1.789 179.099 177.300 0.017 0.000 1.169 452 P CA 0.868 63.977 63.100 0.015 0.000 0.885 452 P CB 0.154 31.865 31.700 0.019 0.000 0.779 453 R N 0.369 120.895 120.500 0.042 0.000 2.276 453 R HA 0.074 4.414 4.340 -0.000 0.000 0.203 453 R C 0.636 176.980 176.300 0.074 0.000 1.017 453 R CA 0.443 56.582 56.100 0.064 0.000 1.010 453 R CB -1.062 29.295 30.300 0.095 0.000 0.900 453 R HN 0.120 nan 8.270 nan 0.000 0.469 454 L N 3.368 124.616 121.223 0.042 0.000 2.436 454 L HA 0.178 4.518 4.340 -0.000 0.000 0.244 454 L C -0.335 176.287 176.870 -0.413 0.000 1.396 454 L CA -0.105 54.709 54.840 -0.044 0.000 1.217 454 L CB -0.905 41.187 42.059 0.055 0.000 1.420 454 L HN 0.333 nan 8.230 nan 0.000 0.434 455 T N -3.276 111.088 114.554 -0.316 0.000 2.923 455 T HA 0.382 4.732 4.350 -0.000 0.000 0.311 455 T C -2.401 172.253 174.700 -0.078 0.000 1.183 455 T CA -1.602 60.323 62.100 -0.291 0.000 1.020 455 T CB 2.716 71.515 68.868 -0.114 0.000 1.165 455 T HN -0.171 nan 8.240 nan 0.000 0.482 456 P HA -0.113 nan 4.420 nan 0.000 0.214 456 P C 1.460 178.827 177.300 0.112 0.000 1.169 456 P CA 1.197 64.422 63.100 0.209 0.000 0.908 456 P CB 0.115 31.971 31.700 0.261 0.000 0.791 457 R N -0.692 119.871 120.500 0.106 0.000 2.235 457 R HA 0.019 4.359 4.340 -0.000 0.000 0.213 457 R C 2.127 178.476 176.300 0.082 0.000 1.059 457 R CA 1.230 57.407 56.100 0.128 0.000 0.997 457 R CB -0.834 29.534 30.300 0.113 0.000 0.884 457 R HN 0.175 nan 8.270 nan 0.000 0.462 458 G N -1.416 107.418 108.800 0.056 0.000 2.712 458 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.212 458 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.212 458 G C 1.042 175.993 174.900 0.086 0.000 1.142 458 G CA 0.078 45.203 45.100 0.042 0.000 0.789 458 G HN 0.228 nan 8.290 nan 0.000 0.535 459 S N -0.126 115.656 115.700 0.136 0.000 2.441 459 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 459 S C 1.706 176.414 174.600 0.180 0.000 1.043 459 S CA -0.178 58.144 58.200 0.203 0.000 0.948 459 S CB -0.183 63.238 63.200 0.368 0.000 0.810 459 S HN 0.352 nan 8.310 nan 0.000 0.504 460 F N 3.151 123.030 119.950 -0.118 0.000 2.171 460 F HA -0.012 4.515 4.527 -0.000 0.000 0.300 460 F C 1.883 177.724 175.800 0.068 0.000 1.090 460 F CA 1.303 59.212 58.000 -0.152 0.000 1.293 460 F CB -0.631 38.199 39.000 -0.283 0.000 1.013 460 F HN 0.204 nan 8.300 nan 0.000 0.486 461 E N 0.153 120.274 120.200 -0.132 0.000 2.072 461 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 461 E C 2.379 178.953 176.600 -0.045 0.000 0.985 461 E CA 1.034 57.314 56.400 -0.201 0.000 0.801 461 E CB -0.400 29.218 29.700 -0.136 0.000 0.750 461 E HN 0.450 nan 8.360 nan 0.000 0.452 462 A N 0.821 123.671 122.820 0.050 0.000 1.969 462 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 462 A C 1.808 179.453 177.584 0.102 0.000 1.169 462 A CA 1.101 53.180 52.037 0.069 0.000 0.635 462 A CB -0.855 18.207 19.000 0.102 0.000 0.810 462 A HN 0.528 nan 8.150 nan 0.000 0.445 463 W N 1.033 122.318 121.300 -0.025 0.000 2.353 463 W HA -0.192 4.468 4.660 -0.000 0.000 0.319 463 W C 1.888 178.368 176.519 -0.066 0.000 1.207 463 W CA 2.028 59.367 57.345 -0.009 0.000 1.291 463 W CB -0.301 29.203 29.460 0.074 0.000 1.159 463 W HN 0.455 nan 8.180 nan 0.000 0.478 464 E N -0.007 120.213 120.200 0.034 0.000 2.136 464 E HA -0.389 3.961 4.350 -0.000 0.000 0.202 464 E C 1.911 178.288 176.600 -0.371 0.000 1.019 464 E CA 2.031 58.248 56.400 -0.306 0.000 0.819 464 E CB -0.512 29.113 29.700 -0.126 0.000 0.739 464 E HN 0.549 nan 8.360 nan 0.000 0.458 465 E N 0.645 120.709 120.200 -0.226 0.000 2.077 465 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 465 E C 2.008 178.465 176.600 -0.238 0.000 0.989 465 E CA 1.163 57.458 56.400 -0.175 0.000 0.800 465 E CB 0.093 29.733 29.700 -0.101 0.000 0.746 465 E HN 0.034 nan 8.360 nan 0.000 0.452 466 V N 0.680 120.395 119.914 -0.333 0.000 2.867 466 V HA -0.174 3.946 4.120 -0.000 0.000 0.260 466 V C 2.066 177.777 176.094 -0.638 0.000 1.099 466 V CA 1.524 63.560 62.300 -0.439 0.000 1.122 466 V CB 0.241 31.837 31.823 -0.379 0.000 0.708 466 V HN 0.532 nan 8.190 nan 0.000 0.490 467 V N -3.537 116.017 119.914 -0.600 0.000 3.556 467 V HA 0.263 4.383 4.120 -0.000 0.000 0.287 467 V C 1.959 177.919 176.094 -0.222 0.000 1.422 467 V CA 0.244 62.235 62.300 -0.515 0.000 1.038 467 V CB -0.165 31.119 31.823 -0.898 0.000 0.850 467 V HN 0.286 nan 8.190 nan 0.000 0.437 468 R N 1.571 121.971 120.500 -0.167 0.000 2.189 468 R HA 0.113 4.453 4.340 -0.000 0.000 0.223 468 R C 1.726 178.047 176.300 0.035 0.000 1.092 468 R CA 1.299 57.363 56.100 -0.061 0.000 0.989 468 R CB -0.104 30.158 30.300 -0.065 0.000 0.876 468 R HN 0.640 nan 8.270 nan 0.000 0.457 469 G N -0.266 108.619 108.800 0.141 0.000 3.774 469 G HA2 0.082 4.042 3.960 -0.000 0.000 0.287 469 G HA3 0.082 4.042 3.960 -0.000 0.000 0.287 469 G C -0.844 174.074 174.900 0.031 0.000 1.030 469 G CA -0.309 44.854 45.100 0.105 0.000 0.824 469 G HN 0.193 nan 8.290 nan 0.000 0.518 470 H N 0.392 119.442 119.070 -0.034 0.000 2.744 470 H HA 0.500 5.056 4.556 -0.000 0.000 0.339 470 H C 0.178 175.484 175.328 -0.036 0.000 1.004 470 H CA -0.975 55.057 56.048 -0.028 0.000 1.257 470 H CB 1.635 31.358 29.762 -0.065 0.000 1.552 470 H HN 0.164 nan 8.280 nan 0.000 0.522 471 S N 1.518 117.245 115.700 0.044 0.000 2.645 471 S HA 0.232 4.702 4.470 -0.000 0.000 0.266 471 S C 0.038 174.556 174.600 -0.136 0.000 1.258 471 S CA -0.932 57.247 58.200 -0.035 0.000 0.990 471 S CB 0.563 63.721 63.200 -0.070 0.000 0.967 471 S HN 0.558 nan 8.310 nan 0.000 0.556 472 T N 3.878 118.318 114.554 -0.189 0.000 2.778 472 T HA 0.212 4.561 4.350 -0.000 0.000 0.282 472 T C -2.231 172.183 174.700 -0.476 0.000 0.983 472 T CA -0.293 61.664 62.100 -0.238 0.000 1.193 472 T CB -0.530 68.215 68.868 -0.206 0.000 0.938 472 T HN 0.510 nan 8.240 nan 0.000 0.523 473 P HA 0.121 nan 4.420 nan 0.000 0.272 473 P C -0.689 176.358 177.300 -0.421 0.000 1.240 473 P CA -0.578 62.299 63.100 -0.371 0.000 0.791 473 P CB 0.429 32.078 31.700 -0.084 0.000 0.978 474 W N 1.006 122.301 121.300 -0.008 0.000 2.422 474 W HA 0.264 4.924 4.660 -0.000 0.000 0.349 474 W C 0.262 176.722 176.519 -0.097 0.000 1.062 474 W CA -0.232 57.077 57.345 -0.061 0.000 1.497 474 W CB -0.491 28.931 29.460 -0.064 0.000 1.407 474 W HN 0.211 nan 8.180 nan 0.000 0.393 475 S N 1.315 117.042 115.700 0.045 0.000 2.549 475 S HA -0.194 4.276 4.470 -0.000 0.000 0.278 475 S C 1.454 176.027 174.600 -0.045 0.000 1.344 475 S CA -0.266 57.910 58.200 -0.041 0.000 1.025 475 S CB 0.751 63.915 63.200 -0.060 0.000 0.851 475 S HN 0.667 nan 8.310 nan 0.000 0.530 476 E N 1.696 121.838 120.200 -0.096 0.000 2.136 476 E HA -0.224 4.126 4.350 -0.000 0.000 0.202 476 E C 1.817 178.372 176.600 -0.074 0.000 1.019 476 E CA 2.432 58.780 56.400 -0.087 0.000 0.819 476 E CB -0.676 28.966 29.700 -0.096 0.000 0.739 476 E HN 0.787 nan 8.360 nan 0.000 0.458 477 T N 0.560 115.072 114.554 -0.071 0.000 2.746 477 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 477 T C 1.211 175.857 174.700 -0.090 0.000 1.039 477 T CA 1.350 63.408 62.100 -0.070 0.000 1.142 477 T CB -0.477 68.355 68.868 -0.060 0.000 0.866 477 T HN 0.223 nan 8.240 nan 0.000 0.444 478 D N 1.272 121.624 120.400 -0.080 0.000 2.144 478 D HA -0.026 4.614 4.640 -0.000 0.000 0.199 478 D C 2.073 178.263 176.300 -0.184 0.000 0.984 478 D CA 0.482 54.405 54.000 -0.127 0.000 0.834 478 D CB -0.378 40.431 40.800 0.016 0.000 0.955 478 D HN 0.199 nan 8.370 nan 0.000 0.465 479 L N 0.558 121.705 121.223 -0.127 0.000 2.141 479 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 479 L C 2.306 179.104 176.870 -0.120 0.000 1.094 479 L CA 1.009 55.761 54.840 -0.146 0.000 0.763 479 L CB -1.005 40.966 42.059 -0.147 0.000 0.908 479 L HN -0.021 nan 8.230 nan 0.000 0.437 480 A N -0.117 122.642 122.820 -0.102 0.000 1.897 480 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 480 A C 2.255 179.790 177.584 -0.082 0.000 1.181 480 A CA 0.933 52.924 52.037 -0.078 0.000 0.620 480 A CB -0.319 18.643 19.000 -0.063 0.000 0.821 480 A HN 0.287 nan 8.150 nan 0.000 0.443 481 I N -0.121 120.380 120.570 -0.116 0.000 2.113 481 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 481 I C 3.008 179.058 176.117 -0.112 0.000 1.070 481 I CA 1.171 62.397 61.300 -0.123 0.000 1.332 481 I CB -0.441 37.450 38.000 -0.183 0.000 1.044 481 I HN 0.341 nan 8.210 nan 0.000 0.402 482 A N -0.022 122.678 122.820 -0.201 0.000 1.997 482 A HA -0.265 4.054 4.320 -0.000 0.000 0.221 482 A C 2.260 179.854 177.584 0.018 0.000 1.172 482 A CA 1.876 53.873 52.037 -0.067 0.000 0.645 482 A CB -0.492 18.411 19.000 -0.163 0.000 0.813 482 A HN 0.407 nan 8.150 nan 0.000 0.454 483 E N -0.024 120.157 120.200 -0.032 0.000 2.021 483 E HA -0.100 4.250 4.350 -0.000 0.000 0.189 483 E C 1.978 178.573 176.600 -0.007 0.000 0.980 483 E CA 0.848 57.240 56.400 -0.014 0.000 0.803 483 E CB -0.267 29.415 29.700 -0.031 0.000 0.766 483 E HN 0.345 nan 8.360 nan 0.000 0.449 484 K N 0.883 121.272 120.400 -0.019 0.000 2.103 484 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 484 K C 2.289 178.884 176.600 -0.009 0.000 1.048 484 K CA 0.424 56.701 56.287 -0.016 0.000 0.930 484 K CB -0.623 31.864 32.500 -0.022 0.000 0.716 484 K HN 0.216 nan 8.250 nan 0.000 0.444 485 L N 0.683 121.913 121.223 0.011 0.000 1.976 485 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 485 L C 2.798 179.663 176.870 -0.008 0.000 1.071 485 L CA 1.502 56.355 54.840 0.023 0.000 0.746 485 L CB -0.365 41.764 42.059 0.116 0.000 0.890 485 L HN 0.212 nan 8.230 nan 0.000 0.432 486 R N -0.298 120.223 120.500 0.034 0.000 2.119 486 R HA -0.254 4.086 4.340 -0.000 0.000 0.246 486 R C 2.215 178.508 176.300 -0.011 0.000 1.146 486 R CA 1.835 57.958 56.100 0.037 0.000 0.962 486 R CB -0.279 30.060 30.300 0.064 0.000 0.863 486 R HN 0.256 nan 8.270 nan 0.000 0.442 487 L N 1.322 122.536 121.223 -0.015 0.000 2.017 487 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 487 L C 1.888 178.730 176.870 -0.047 0.000 1.073 487 L CA 1.907 56.732 54.840 -0.025 0.000 0.745 487 L CB -0.937 41.111 42.059 -0.019 0.000 0.894 487 L HN 0.183 nan 8.230 nan 0.000 0.432 488 D N -1.038 119.329 120.400 -0.056 0.000 2.149 488 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 488 D C 1.973 178.206 176.300 -0.112 0.000 0.990 488 D CA 0.969 54.926 54.000 -0.070 0.000 0.839 488 D CB -0.064 40.698 40.800 -0.063 0.000 0.948 488 D HN 0.090 nan 8.370 nan 0.000 0.460 489 L N -0.247 120.869 121.223 -0.178 0.000 2.554 489 L HA 0.187 4.527 4.340 -0.000 0.000 0.226 489 L C 1.683 178.428 176.870 -0.208 0.000 1.137 489 L CA 0.624 55.283 54.840 -0.301 0.000 0.863 489 L CB -0.367 41.299 42.059 -0.654 0.000 0.985 489 L HN 0.105 nan 8.230 nan 0.000 0.451 490 M N -1.148 118.388 119.600 -0.106 0.000 2.628 490 M HA -0.022 4.458 4.480 -0.000 0.000 0.232 490 M C 1.147 177.424 176.300 -0.038 0.000 1.128 490 M CA 0.688 55.964 55.300 -0.040 0.000 1.040 490 M CB 0.123 32.712 32.600 -0.017 0.000 1.608 490 M HN 0.217 nan 8.290 nan 0.000 0.507 491 E N -0.384 119.783 120.200 -0.055 0.000 2.389 491 E HA 0.081 4.431 4.350 -0.000 0.000 0.199 491 E C -0.445 176.131 176.600 -0.039 0.000 0.978 491 E CA -0.095 56.281 56.400 -0.041 0.000 0.912 491 E CB 0.497 30.171 29.700 -0.043 0.000 0.907 491 E HN 0.256 nan 8.360 nan 0.000 0.494 492 L N 0.630 121.821 121.223 -0.054 0.000 2.360 492 L HA 0.036 4.376 4.340 -0.000 0.000 0.276 492 L C 0.544 177.401 176.870 -0.022 0.000 1.121 492 L CA 0.216 55.029 54.840 -0.045 0.000 0.845 492 L CB 0.882 42.899 42.059 -0.070 0.000 1.143 492 L HN 0.180 nan 8.230 nan 0.000 0.452 493 C N 2.384 121.676 119.300 -0.014 0.000 2.735 493 C HA 0.632 5.092 4.460 -0.000 0.000 0.444 493 C C 0.477 175.466 174.990 -0.000 0.000 1.331 493 C CA -0.368 58.647 59.018 -0.005 0.000 2.225 493 C CB 0.025 27.761 27.740 -0.006 0.000 2.917 493 C HN 0.791 nan 8.230 nan 0.000 0.567 494 L N 0.000 121.221 121.223 -0.003 0.000 2.949 494 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 494 L CA 0.000 54.840 54.840 0.001 0.000 0.813 494 L CB 0.000 42.061 42.059 0.003 0.000 0.961 494 L HN 0.000 nan 8.230 nan 0.000 0.502