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 1h6k_1_A DATA FIRST_RESID 27 DATA SEQUENCE TEDHLESLIC KVGEKSACSL ESNLEGLAGV LEADLPNYKS KILRLLCTVA DATA SEQUENCE RLLPEKLTIY TTLVGLLNAR NYNFGGEFVE AMIRQLKESL KANNYNEAVY DATA SEQUENCE LVRFLSDLVN CHVIAAPSMV AMFENFVSVT QEEDVPQVRR DWYVYAFLSS DATA SEQUENCE LPWVGKELYE KKDAEMDRIF ANTESYLKRR QKTHVPMLQV WTADKPHPQE DATA SEQUENCE EYLDCLWAQI QKLKKDRWQE RHILRPYLAF DSILCEALQH NLPPFTPPPH DATA SEQUENCE TEDSVYPMPR VIFRMFDYTD DPEGPVMPGS HSVERFVIEE NLHCIIKSHW DATA SEQUENCE KERKTCAAQL VSYPGKNKIP LNYHIVEVIF AELFQLPAPP HIDVMYTTLL DATA SEQUENCE IELCKLQPGS LPQVLAQATE MLYMRLDTMN TTCVDRFINW FSHHLSNFQF DATA SEQUENCE RWSWEDWSDC LSQDPESPKP KFVREVLEKC MRLSYHQRIL DIVPPTFSAL DATA SEQUENCE CPSNPTCIYK YGDESSNSLP GHSVALCLAV AFKSKATNDE IFSILKDVPN DATA SEQUENCE XXXXXXXXXX XXFNPLKIEV FVQTLLHLAA KSFSHSFSAL AKFHEVFKTL DATA SEQUENCE AESDEGKLHV LRVMFEVWRN HPQMIAVLVD KMIRTQIVDC AAVANWIFSS DATA SEQUENCE ELSRDFTRLF VWEILHSTIR KMNKHVLKIQ KELEEAKEKX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXEQIERLQ EKVESAQSEQ KNLFLVIFQR FIMILTEHLV DATA SEQUENCE RCETDGTSVL TPWYKNCIER LQQIFLQHHQ IIQQYMVTLE NLLFTAELDP DATA SEQUENCE HILAVFQQFC ALQA 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.660 174.700 -0.067 0.000 1.109 27 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 27 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 28 E N 0.990 121.178 120.200 -0.019 0.000 2.209 28 E HA -0.118 4.231 4.350 -0.001 0.000 0.196 28 E C 1.041 177.634 176.600 -0.011 0.000 0.993 28 E CA 1.619 58.010 56.400 -0.016 0.000 0.819 28 E CB -0.002 29.750 29.700 0.086 0.000 0.745 28 E HN 0.552 nan 8.360 nan 0.000 0.477 29 D N -0.979 119.431 120.400 0.016 0.000 2.234 29 D HA -0.114 4.526 4.640 -0.001 0.000 0.205 29 D C 1.652 177.969 176.300 0.029 0.000 0.962 29 D CA 0.830 54.842 54.000 0.020 0.000 0.855 29 D CB -0.162 40.656 40.800 0.030 0.000 0.951 29 D HN 0.249 nan 8.370 nan 0.000 0.500 30 H N 0.410 119.441 119.070 -0.064 0.000 2.299 30 H HA -0.039 4.517 4.556 -0.001 0.000 0.302 30 H C 1.821 177.107 175.328 -0.070 0.000 1.078 30 H CA 1.209 57.218 56.048 -0.065 0.000 1.323 30 H CB -0.306 29.407 29.762 -0.082 0.000 1.381 30 H HN -0.065 nan 8.280 nan 0.000 0.498 31 L N 1.004 122.121 121.223 -0.177 0.000 2.042 31 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 31 L C 2.575 179.353 176.870 -0.153 0.000 1.076 31 L CA 2.149 56.861 54.840 -0.215 0.000 0.749 31 L CB -0.975 40.984 42.059 -0.166 0.000 0.893 31 L HN 0.495 nan 8.230 nan 0.000 0.432 32 E N -1.010 119.133 120.200 -0.096 0.000 2.130 32 E HA -0.290 4.060 4.350 -0.001 0.000 0.196 32 E C 2.363 178.925 176.600 -0.063 0.000 0.998 32 E CA 1.515 57.879 56.400 -0.060 0.000 0.806 32 E CB -0.073 29.607 29.700 -0.034 0.000 0.738 32 E HN 0.412 nan 8.360 nan 0.000 0.459 33 S N -0.316 115.328 115.700 -0.094 0.000 2.371 33 S HA -0.059 4.411 4.470 -0.001 0.000 0.224 33 S C 1.996 176.538 174.600 -0.096 0.000 1.029 33 S CA 0.710 58.862 58.200 -0.081 0.000 0.978 33 S CB -0.178 62.976 63.200 -0.076 0.000 0.833 33 S HN 0.337 nan 8.310 nan 0.000 0.466 34 L N 0.785 121.896 121.223 -0.187 0.000 2.056 34 L HA -0.032 4.308 4.340 -0.001 0.000 0.207 34 L C 2.376 179.230 176.870 -0.026 0.000 1.078 34 L CA 1.169 55.924 54.840 -0.142 0.000 0.749 34 L CB -0.471 41.452 42.059 -0.226 0.000 0.901 34 L HN 0.363 nan 8.230 nan 0.000 0.433 35 I N -1.007 119.559 120.570 -0.007 0.000 2.202 35 I HA -0.311 3.858 4.170 -0.001 0.000 0.242 35 I C 2.565 178.800 176.117 0.197 0.000 1.091 35 I CA 1.044 62.405 61.300 0.101 0.000 1.368 35 I CB -0.300 37.719 38.000 0.032 0.000 1.058 35 I HN 0.357 nan 8.210 nan 0.000 0.410 36 C N 0.701 120.057 119.300 0.094 0.000 2.432 36 C HA -0.111 4.349 4.460 -0.001 0.000 0.280 36 C C 2.529 177.610 174.990 0.152 0.000 1.353 36 C CA 0.883 59.976 59.018 0.125 0.000 1.766 36 C CB -0.955 26.812 27.740 0.045 0.000 1.924 36 C HN 0.407 nan 8.230 nan 0.000 0.509 37 K N -0.112 120.344 120.400 0.092 0.000 2.379 37 K HA 0.126 4.446 4.320 -0.001 0.000 0.194 37 K C 0.615 177.246 176.600 0.052 0.000 1.031 37 K CA -0.033 56.293 56.287 0.065 0.000 1.037 37 K CB 0.185 32.702 32.500 0.029 0.000 0.824 37 K HN 0.237 nan 8.250 nan 0.000 0.516 38 V N 1.021 120.971 119.914 0.059 0.000 2.788 38 V HA 0.079 4.198 4.120 -0.001 0.000 0.307 38 V C 1.125 177.193 176.094 -0.043 0.000 1.069 38 V CA 1.803 64.107 62.300 0.006 0.000 1.173 38 V CB 0.501 32.327 31.823 0.006 0.000 0.925 38 V HN 0.758 nan 8.190 nan 0.000 0.492 39 G N 3.886 112.658 108.800 -0.046 0.000 2.213 39 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.236 39 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.236 39 G C 0.211 175.097 174.900 -0.024 0.000 0.991 39 G CA 0.361 45.427 45.100 -0.058 0.000 0.629 39 G HN 0.743 nan 8.290 nan 0.000 0.517 40 E N 0.984 121.182 120.200 -0.003 0.000 2.620 40 E HA 0.424 4.774 4.350 -0.001 0.000 0.255 40 E C 0.715 177.315 176.600 -0.001 0.000 1.346 40 E CA -0.289 56.115 56.400 0.007 0.000 1.013 40 E CB 0.281 29.993 29.700 0.020 0.000 1.131 40 E HN 0.531 nan 8.360 nan 0.000 0.608 41 K N 0.439 120.839 120.400 0.000 0.000 2.511 41 K HA 0.021 4.340 4.320 -0.001 0.000 0.277 41 K C -0.380 176.220 176.600 -0.001 0.000 1.025 41 K CA 0.245 56.530 56.287 -0.003 0.000 1.112 41 K CB 0.386 32.885 32.500 -0.002 0.000 0.859 41 K HN 0.236 nan 8.250 nan 0.000 0.485 42 S N 1.322 117.020 115.700 -0.003 0.000 2.570 42 S HA 0.525 4.994 4.470 -0.001 0.000 0.270 42 S C 0.230 174.828 174.600 -0.002 0.000 1.149 42 S CA -0.249 57.950 58.200 -0.001 0.000 0.837 42 S CB 1.679 64.879 63.200 -0.000 0.000 1.124 42 S HN 0.665 nan 8.310 nan 0.000 0.465 43 A N 1.300 124.121 122.820 0.001 0.000 2.016 43 A HA 0.248 4.567 4.320 -0.001 0.000 0.217 43 A C 0.970 178.553 177.584 -0.000 0.000 1.162 43 A CA 0.712 52.749 52.037 -0.000 0.000 0.662 43 A CB -0.921 18.080 19.000 0.002 0.000 0.812 43 A HN 0.798 nan 8.150 nan 0.000 0.450 44 C N 0.097 119.398 119.300 0.002 0.000 2.347 44 C HA 0.584 5.043 4.460 -0.001 0.000 0.366 44 C C 1.299 176.290 174.990 0.000 0.000 1.241 44 C CA -0.376 58.645 59.018 0.004 0.000 2.360 44 C CB 1.104 28.850 27.740 0.010 0.000 2.290 44 C HN 0.629 nan 8.230 nan 0.000 0.587 45 S N 0.834 116.534 115.700 0.001 0.000 2.593 45 S HA 0.204 4.673 4.470 -0.001 0.000 0.269 45 S C 0.778 175.382 174.600 0.007 0.000 1.334 45 S CA -0.464 57.733 58.200 -0.005 0.000 1.015 45 S CB 0.333 63.525 63.200 -0.013 0.000 0.912 45 S HN 0.659 nan 8.310 nan 0.000 0.541 46 L N 1.330 122.552 121.223 -0.002 0.000 2.012 46 L HA -0.058 4.281 4.340 -0.001 0.000 0.210 46 L C 2.268 179.178 176.870 0.066 0.000 1.073 46 L CA 2.095 56.942 54.840 0.011 0.000 0.748 46 L CB -1.463 40.589 42.059 -0.012 0.000 0.891 46 L HN 0.837 nan 8.230 nan 0.000 0.431 47 E N -0.455 119.790 120.200 0.075 0.000 2.070 47 E HA -0.246 4.103 4.350 -0.001 0.000 0.197 47 E C 2.424 179.171 176.600 0.245 0.000 1.004 47 E CA 1.619 58.141 56.400 0.202 0.000 0.805 47 E CB -0.765 28.911 29.700 -0.041 0.000 0.744 47 E HN 0.606 nan 8.360 nan 0.000 0.451 48 S N 0.279 116.048 115.700 0.114 0.000 2.353 48 S HA -0.238 4.232 4.470 -0.001 0.000 0.222 48 S C 1.705 176.352 174.600 0.077 0.000 1.035 48 S CA 1.879 60.133 58.200 0.091 0.000 1.025 48 S CB -0.446 62.782 63.200 0.046 0.000 0.902 48 S HN 0.347 nan 8.310 nan 0.000 0.440 49 N N 0.673 119.407 118.700 0.056 0.000 2.188 49 N HA 0.041 4.780 4.740 -0.001 0.000 0.184 49 N C 1.838 177.364 175.510 0.028 0.000 1.018 49 N CA 1.316 54.386 53.050 0.033 0.000 0.858 49 N CB -0.254 38.244 38.487 0.018 0.000 0.989 49 N HN 0.339 nan 8.380 nan 0.000 0.426 50 L N 0.623 121.875 121.223 0.048 0.000 2.005 50 L HA -0.161 4.179 4.340 -0.001 0.000 0.207 50 L C 2.517 179.360 176.870 -0.045 0.000 1.072 50 L CA 1.180 56.023 54.840 0.005 0.000 0.744 50 L CB -0.295 41.782 42.059 0.030 0.000 0.895 50 L HN 0.156 nan 8.230 nan 0.000 0.433 51 E N 0.323 120.518 120.200 -0.009 0.000 2.077 51 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 51 E C 2.069 178.659 176.600 -0.016 0.000 0.989 51 E CA 1.431 57.805 56.400 -0.043 0.000 0.800 51 E CB -0.361 29.385 29.700 0.077 0.000 0.746 51 E HN 0.363 nan 8.360 nan 0.000 0.452 52 G N 0.613 109.420 108.800 0.012 0.000 2.421 52 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 52 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 52 G C 1.486 176.381 174.900 -0.008 0.000 1.171 52 G CA 0.930 46.034 45.100 0.007 0.000 0.775 52 G HN 0.354 nan 8.290 nan 0.000 0.543 53 L N 1.412 122.627 121.223 -0.013 0.000 2.093 53 L HA 0.211 4.550 4.340 -0.001 0.000 0.208 53 L C 3.006 179.854 176.870 -0.036 0.000 1.085 53 L CA 1.950 56.778 54.840 -0.021 0.000 0.755 53 L CB -0.773 41.281 42.059 -0.010 0.000 0.904 53 L HN 0.235 nan 8.230 nan 0.000 0.435 54 A N -0.398 122.392 122.820 -0.050 0.000 1.908 54 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 54 A C 2.350 179.895 177.584 -0.065 0.000 1.181 54 A CA 1.621 53.617 52.037 -0.069 0.000 0.627 54 A CB -1.594 17.346 19.000 -0.099 0.000 0.818 54 A HN 0.519 nan 8.150 nan 0.000 0.445 55 G N -0.839 107.934 108.800 -0.046 0.000 2.432 55 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.219 55 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.219 55 G C 1.448 176.328 174.900 -0.033 0.000 1.135 55 G CA 1.225 46.305 45.100 -0.034 0.000 0.767 55 G HN 0.339 nan 8.290 nan 0.000 0.550 56 V N 0.699 120.595 119.914 -0.031 0.000 2.379 56 V HA -0.024 4.096 4.120 -0.001 0.000 0.245 56 V C 2.842 178.908 176.094 -0.048 0.000 1.044 56 V CA 1.081 63.366 62.300 -0.026 0.000 1.036 56 V CB -0.328 31.485 31.823 -0.017 0.000 0.664 56 V HN 0.319 nan 8.190 nan 0.000 0.453 57 L N -0.098 121.081 121.223 -0.073 0.000 2.093 57 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 57 L C 2.610 179.385 176.870 -0.159 0.000 1.085 57 L CA 1.768 56.541 54.840 -0.113 0.000 0.755 57 L CB -0.519 41.462 42.059 -0.129 0.000 0.904 57 L HN 0.435 nan 8.230 nan 0.000 0.435 58 E N 0.695 120.806 120.200 -0.149 0.000 2.058 58 E HA -0.271 4.079 4.350 -0.001 0.000 0.194 58 E C 2.156 178.702 176.600 -0.090 0.000 0.997 58 E CA 1.347 57.656 56.400 -0.152 0.000 0.801 58 E CB -0.031 29.610 29.700 -0.098 0.000 0.746 58 E HN 0.451 nan 8.360 nan 0.000 0.450 59 A N 0.695 123.487 122.820 -0.047 0.000 2.131 59 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 59 A C 1.401 178.999 177.584 0.023 0.000 1.158 59 A CA 1.597 53.628 52.037 -0.010 0.000 0.665 59 A CB -0.093 18.908 19.000 0.001 0.000 0.795 59 A HN 0.288 nan 8.150 nan 0.000 0.460 60 D N -0.903 119.512 120.400 0.025 0.000 2.395 60 D HA 0.190 4.829 4.640 -0.001 0.000 0.213 60 D C 1.523 177.904 176.300 0.135 0.000 1.110 60 D CA -0.088 53.997 54.000 0.143 0.000 0.835 60 D CB 0.255 41.130 40.800 0.125 0.000 0.965 60 D HN 0.404 nan 8.370 nan 0.000 0.505 61 L N 1.736 122.957 121.223 -0.003 0.000 2.042 61 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 61 L C -0.308 176.568 176.870 0.010 0.000 1.076 61 L CA 1.412 56.226 54.840 -0.043 0.000 0.749 61 L CB -1.737 40.238 42.059 -0.141 0.000 0.893 61 L HN 0.054 nan 8.230 nan 0.000 0.432 62 P HA -0.193 nan 4.420 nan 0.000 0.214 62 P C 0.535 177.801 177.300 -0.058 0.000 1.163 62 P CA 1.831 64.925 63.100 -0.011 0.000 0.889 62 P CB -0.118 31.578 31.700 -0.007 0.000 0.790 63 N N -3.037 115.592 118.700 -0.118 0.000 2.236 63 N HA 0.084 4.824 4.740 -0.001 0.000 0.196 63 N C 0.150 175.260 175.510 -0.667 0.000 1.114 63 N CA 0.135 52.959 53.050 -0.378 0.000 0.859 63 N CB 0.180 38.369 38.487 -0.497 0.000 0.982 63 N HN 0.206 nan 8.380 nan 0.000 0.493 64 Y N -1.040 119.265 120.300 0.008 0.000 2.791 64 Y HA 0.294 4.844 4.550 -0.001 0.000 0.263 64 Y C 1.512 177.431 175.900 0.032 0.000 1.089 64 Y CA -0.673 57.437 58.100 0.016 0.000 1.253 64 Y CB 0.265 38.730 38.460 0.009 0.000 1.360 64 Y HN -0.167 nan 8.280 nan 0.000 0.569 65 K N 0.679 121.159 120.400 0.134 0.000 2.032 65 K HA -0.283 4.037 4.320 -0.001 0.000 0.218 65 K C 2.408 179.139 176.600 0.218 0.000 1.054 65 K CA 2.121 58.508 56.287 0.168 0.000 0.941 65 K CB -0.292 32.302 32.500 0.157 0.000 0.720 65 K HN 0.230 nan 8.250 nan 0.000 0.449 66 S N 0.201 115.989 115.700 0.146 0.000 2.400 66 S HA -0.195 4.274 4.470 -0.001 0.000 0.232 66 S C 1.867 176.541 174.600 0.123 0.000 1.025 66 S CA 1.956 60.226 58.200 0.117 0.000 0.993 66 S CB -0.224 63.016 63.200 0.066 0.000 0.808 66 S HN 0.333 nan 8.310 nan 0.000 0.478 67 K N 1.175 121.662 120.400 0.147 0.000 2.076 67 K HA 0.199 4.519 4.320 -0.001 0.000 0.204 67 K C 1.861 178.541 176.600 0.134 0.000 1.051 67 K CA 1.452 57.822 56.287 0.139 0.000 0.949 67 K CB -0.581 32.034 32.500 0.192 0.000 0.726 67 K HN 0.498 nan 8.250 nan 0.000 0.443 68 I N 0.695 121.367 120.570 0.170 0.000 2.286 68 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 68 I C 2.048 178.317 176.117 0.254 0.000 1.115 68 I CA 0.980 62.383 61.300 0.171 0.000 1.392 68 I CB -0.289 37.792 38.000 0.135 0.000 1.065 68 I HN 0.113 nan 8.210 nan 0.000 0.418 69 L N 0.496 121.906 121.223 0.312 0.000 1.970 69 L HA -0.255 4.085 4.340 -0.001 0.000 0.212 69 L C 2.862 179.830 176.870 0.163 0.000 1.071 69 L CA 1.668 56.675 54.840 0.278 0.000 0.751 69 L CB -0.690 41.470 42.059 0.168 0.000 0.889 69 L HN 0.250 nan 8.230 nan 0.000 0.432 70 R N 0.571 121.124 120.500 0.089 0.000 2.091 70 R HA -0.190 4.150 4.340 -0.001 0.000 0.238 70 R C 2.279 178.590 176.300 0.017 0.000 1.136 70 R CA 1.527 57.643 56.100 0.027 0.000 0.959 70 R CB -0.337 29.976 30.300 0.022 0.000 0.856 70 R HN 0.349 nan 8.270 nan 0.000 0.437 71 L N 0.694 121.941 121.223 0.039 0.000 2.046 71 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 71 L C 2.520 179.370 176.870 -0.033 0.000 1.077 71 L CA 1.195 56.034 54.840 -0.001 0.000 0.747 71 L CB -0.339 41.724 42.059 0.008 0.000 0.896 71 L HN 0.287 nan 8.230 nan 0.000 0.432 72 L N -1.509 119.741 121.223 0.046 0.000 2.109 72 L HA -0.221 4.118 4.340 -0.001 0.000 0.207 72 L C 2.685 179.571 176.870 0.026 0.000 1.086 72 L CA 0.807 55.674 54.840 0.045 0.000 0.760 72 L CB -0.587 41.558 42.059 0.144 0.000 0.910 72 L HN 0.367 nan 8.230 nan 0.000 0.437 73 C N -0.493 118.839 119.300 0.053 0.000 2.422 73 C HA -0.152 4.307 4.460 -0.001 0.000 0.279 73 C C 2.954 177.833 174.990 -0.185 0.000 1.305 73 C CA 1.394 60.313 59.018 -0.166 0.000 1.757 73 C CB -0.760 26.860 27.740 -0.200 0.000 1.962 73 C HN 0.519 nan 8.230 nan 0.000 0.499 74 T N 0.782 115.256 114.554 -0.133 0.000 2.812 74 T HA -0.133 4.216 4.350 -0.001 0.000 0.264 74 T C 1.802 176.405 174.700 -0.163 0.000 1.042 74 T CA 1.822 63.849 62.100 -0.122 0.000 1.140 74 T CB -0.266 68.550 68.868 -0.086 0.000 0.870 74 T HN 0.536 nan 8.240 nan 0.000 0.445 75 V N 0.494 120.252 119.914 -0.260 0.000 2.809 75 V HA 0.166 4.285 4.120 -0.001 0.000 0.256 75 V C 2.564 178.493 176.094 -0.275 0.000 1.080 75 V CA 1.188 63.272 62.300 -0.361 0.000 1.102 75 V CB -1.396 29.922 31.823 -0.840 0.000 0.705 75 V HN 0.389 nan 8.190 nan 0.000 0.475 76 A N 2.023 124.632 122.820 -0.352 0.000 1.930 76 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 76 A C 2.479 179.997 177.584 -0.110 0.000 1.175 76 A CA 1.896 53.675 52.037 -0.430 0.000 0.627 76 A CB -0.482 17.894 19.000 -1.040 0.000 0.815 76 A HN 0.773 nan 8.150 nan 0.000 0.443 77 R N -0.999 119.450 120.500 -0.085 0.000 2.254 77 R HA 0.313 4.652 4.340 -0.001 0.000 0.195 77 R C 1.171 177.534 176.300 0.104 0.000 0.957 77 R CA 0.710 56.848 56.100 0.064 0.000 1.024 77 R CB -0.210 30.105 30.300 0.025 0.000 0.952 77 R HN 0.421 nan 8.270 nan 0.000 0.484 78 L N 0.159 121.386 121.223 0.006 0.000 2.575 78 L HA 0.265 4.604 4.340 -0.001 0.000 0.228 78 L C -0.039 176.812 176.870 -0.033 0.000 1.075 78 L CA -0.059 54.782 54.840 0.002 0.000 0.867 78 L CB 0.557 42.609 42.059 -0.013 0.000 1.097 78 L HN 0.089 nan 8.230 nan 0.000 0.485 79 L N 0.923 122.132 121.223 -0.023 0.000 2.784 79 L HA 0.267 4.607 4.340 -0.001 0.000 0.241 79 L C -1.512 175.391 176.870 0.055 0.000 1.352 79 L CA -0.918 53.945 54.840 0.039 0.000 0.911 79 L CB 0.236 42.390 42.059 0.158 0.000 1.227 79 L HN -0.186 nan 8.230 nan 0.000 0.501 80 P HA -0.200 nan 4.420 nan 0.000 0.220 80 P C 1.006 178.312 177.300 0.011 0.000 1.148 80 P CA 1.177 64.180 63.100 -0.162 0.000 0.803 80 P CB 0.324 31.573 31.700 -0.752 0.000 0.782 81 E N 1.434 121.664 120.200 0.050 0.000 2.268 81 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 81 E C 1.092 177.811 176.600 0.198 0.000 0.995 81 E CA 1.069 57.567 56.400 0.164 0.000 0.836 81 E CB -0.550 29.256 29.700 0.177 0.000 0.763 81 E HN 0.320 nan 8.360 nan 0.000 0.491 82 K N 0.525 121.044 120.400 0.198 0.000 2.399 82 K HA 0.144 4.463 4.320 -0.001 0.000 0.204 82 K C 1.564 178.292 176.600 0.212 0.000 1.023 82 K CA -0.215 56.177 56.287 0.175 0.000 1.127 82 K CB 0.194 32.815 32.500 0.200 0.000 0.856 82 K HN -0.037 nan 8.250 nan 0.000 0.514 83 L N 1.913 123.275 121.223 0.232 0.000 2.011 83 L HA -0.336 4.004 4.340 -0.001 0.000 0.225 83 L C 2.181 179.107 176.870 0.094 0.000 1.084 83 L CA 2.663 57.620 54.840 0.195 0.000 0.791 83 L CB -1.145 40.928 42.059 0.022 0.000 0.898 83 L HN 0.353 nan 8.230 nan 0.000 0.440 84 T N -3.297 111.330 114.554 0.122 0.000 3.035 84 T HA -0.042 4.308 4.350 -0.001 0.000 0.268 84 T C 1.956 176.699 174.700 0.071 0.000 1.109 84 T CA 1.287 63.471 62.100 0.140 0.000 1.119 84 T CB -0.737 68.240 68.868 0.183 0.000 0.900 84 T HN 0.464 nan 8.240 nan 0.000 0.503 85 I N -0.496 120.058 120.570 -0.027 0.000 2.233 85 I HA -0.041 4.128 4.170 -0.001 0.000 0.243 85 I C 2.189 178.220 176.117 -0.144 0.000 1.093 85 I CA 1.216 62.426 61.300 -0.149 0.000 1.380 85 I CB -0.293 37.504 38.000 -0.338 0.000 1.067 85 I HN 0.141 nan 8.210 nan 0.000 0.413 86 Y N 1.030 121.412 120.300 0.137 0.000 2.263 86 Y HA -0.202 4.348 4.550 -0.001 0.000 0.292 86 Y C 3.035 179.024 175.900 0.148 0.000 1.130 86 Y CA 1.562 59.795 58.100 0.220 0.000 1.179 86 Y CB -1.355 37.367 38.460 0.437 0.000 0.998 86 Y HN 0.284 nan 8.280 nan 0.000 0.532 87 T N -3.826 110.696 114.554 -0.055 0.000 2.788 87 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 87 T C 1.892 176.569 174.700 -0.037 0.000 1.044 87 T CA 1.839 63.767 62.100 -0.287 0.000 1.139 87 T CB -0.988 67.588 68.868 -0.488 0.000 0.867 87 T HN 0.246 nan 8.240 nan 0.000 0.454 88 T N 2.288 116.887 114.554 0.075 0.000 2.746 88 T HA 0.001 4.351 4.350 -0.001 0.000 0.267 88 T C 1.789 176.488 174.700 -0.001 0.000 1.039 88 T CA 1.284 63.449 62.100 0.109 0.000 1.142 88 T CB -0.577 68.403 68.868 0.188 0.000 0.866 88 T HN 0.231 nan 8.240 nan 0.000 0.444 89 L N 1.372 122.609 121.223 0.023 0.000 2.012 89 L HA -0.045 4.294 4.340 -0.001 0.000 0.210 89 L C 2.459 179.324 176.870 -0.007 0.000 1.073 89 L CA 1.572 56.416 54.840 0.006 0.000 0.748 89 L CB -0.885 41.235 42.059 0.103 0.000 0.891 89 L HN 0.081 nan 8.230 nan 0.000 0.431 90 V N 0.126 120.042 119.914 0.003 0.000 2.407 90 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 90 V C 2.592 178.664 176.094 -0.037 0.000 1.055 90 V CA 1.721 63.964 62.300 -0.095 0.000 1.049 90 V CB -1.519 30.173 31.823 -0.219 0.000 0.662 90 V HN 0.660 nan 8.190 nan 0.000 0.455 91 G N -0.306 108.479 108.800 -0.026 0.000 2.418 91 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.217 91 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.217 91 G C 1.566 176.459 174.900 -0.011 0.000 1.158 91 G CA 0.886 45.981 45.100 -0.008 0.000 0.771 91 G HN 0.475 nan 8.290 nan 0.000 0.545 92 L N -0.474 120.700 121.223 -0.081 0.000 2.093 92 L HA -0.007 4.333 4.340 -0.001 0.000 0.208 92 L C 2.749 179.593 176.870 -0.042 0.000 1.085 92 L CA 0.150 54.914 54.840 -0.127 0.000 0.755 92 L CB -0.394 41.502 42.059 -0.272 0.000 0.904 92 L HN 0.121 nan 8.230 nan 0.000 0.435 93 L N 0.310 121.529 121.223 -0.007 0.000 2.017 93 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 93 L C 2.291 179.246 176.870 0.141 0.000 1.073 93 L CA 1.826 56.694 54.840 0.047 0.000 0.745 93 L CB -1.076 41.050 42.059 0.111 0.000 0.894 93 L HN 0.325 nan 8.230 nan 0.000 0.432 94 N N -0.493 118.303 118.700 0.161 0.000 2.166 94 N HA -0.163 4.576 4.740 -0.001 0.000 0.186 94 N C 1.737 177.367 175.510 0.199 0.000 1.019 94 N CA 1.325 54.498 53.050 0.206 0.000 0.856 94 N CB -0.061 38.532 38.487 0.177 0.000 0.993 94 N HN 0.333 nan 8.380 nan 0.000 0.426 95 A N 0.112 123.010 122.820 0.130 0.000 2.015 95 A HA -0.034 4.286 4.320 -0.001 0.000 0.219 95 A C 2.196 179.839 177.584 0.097 0.000 1.163 95 A CA 1.037 53.141 52.037 0.111 0.000 0.646 95 A CB -0.313 18.727 19.000 0.066 0.000 0.806 95 A HN 0.352 nan 8.150 nan 0.000 0.448 96 R N -1.318 119.231 120.500 0.082 0.000 2.112 96 R HA 0.083 4.423 4.340 -0.001 0.000 0.216 96 R C 0.179 176.534 176.300 0.091 0.000 1.080 96 R CA 0.815 56.950 56.100 0.059 0.000 0.996 96 R CB 0.167 30.476 30.300 0.015 0.000 0.902 96 R HN 0.390 nan 8.270 nan 0.000 0.449 97 N N -0.294 118.492 118.700 0.143 0.000 2.607 97 N HA -0.025 4.714 4.740 -0.001 0.000 0.271 97 N C -0.550 175.138 175.510 0.296 0.000 1.142 97 N CA -0.174 52.992 53.050 0.192 0.000 0.810 97 N CB 0.830 39.404 38.487 0.144 0.000 1.306 97 N HN -0.005 nan 8.380 nan 0.000 0.536 98 Y N 4.305 124.707 120.300 0.170 0.000 2.181 98 Y HA -0.146 4.404 4.550 -0.001 0.000 0.288 98 Y C 1.503 177.583 175.900 0.300 0.000 1.146 98 Y CA 1.920 60.154 58.100 0.224 0.000 1.164 98 Y CB 0.120 38.648 38.460 0.114 0.000 0.982 98 Y HN 0.503 nan 8.280 nan 0.000 0.515 99 N N -0.102 118.775 118.700 0.295 0.000 2.069 99 N HA -0.238 4.502 4.740 -0.001 0.000 0.191 99 N C 1.714 177.281 175.510 0.095 0.000 1.031 99 N CA 1.680 54.835 53.050 0.176 0.000 0.852 99 N CB -1.082 37.515 38.487 0.184 0.000 1.018 99 N HN 0.471 nan 8.380 nan 0.000 0.423 100 F N 1.265 121.230 119.950 0.026 0.000 2.126 100 F HA -0.085 4.441 4.527 -0.001 0.000 0.299 100 F C 2.186 177.966 175.800 -0.033 0.000 1.096 100 F CA 1.759 59.764 58.000 0.008 0.000 1.255 100 F CB -0.773 38.242 39.000 0.024 0.000 0.997 100 F HN 0.044 nan 8.300 nan 0.000 0.479 101 G N -0.471 108.248 108.800 -0.136 0.000 2.422 101 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 101 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 101 G C 1.931 176.417 174.900 -0.691 0.000 1.146 101 G CA 0.675 45.584 45.100 -0.317 0.000 0.769 101 G HN 0.641 nan 8.290 nan 0.000 0.547 102 G N 0.502 108.766 108.800 -0.893 0.000 2.422 102 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.218 102 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.218 102 G C 1.616 176.268 174.900 -0.414 0.000 1.146 102 G CA 0.978 45.572 45.100 -0.843 0.000 0.769 102 G HN 0.525 nan 8.290 nan 0.000 0.547 103 E N -0.606 119.408 120.200 -0.310 0.000 2.152 103 E HA -0.035 4.314 4.350 -0.001 0.000 0.192 103 E C 2.014 178.450 176.600 -0.273 0.000 0.983 103 E CA 0.295 56.558 56.400 -0.228 0.000 0.818 103 E CB -0.134 29.479 29.700 -0.144 0.000 0.758 103 E HN 0.471 nan 8.360 nan 0.000 0.467 104 F N 1.288 120.911 119.950 -0.545 0.000 2.084 104 F HA -0.193 4.333 4.527 -0.001 0.000 0.296 104 F C 2.179 177.797 175.800 -0.303 0.000 1.111 104 F CA 1.036 58.752 58.000 -0.474 0.000 1.224 104 F CB -0.369 38.288 39.000 -0.573 0.000 0.991 104 F HN -0.238 nan 8.300 nan 0.000 0.471 105 V N 0.472 120.230 119.914 -0.258 0.000 2.392 105 V HA -0.326 3.793 4.120 -0.001 0.000 0.249 105 V C 2.389 178.322 176.094 -0.269 0.000 1.059 105 V CA 2.314 64.459 62.300 -0.259 0.000 1.051 105 V CB -0.697 31.012 31.823 -0.191 0.000 0.658 105 V HN 0.432 nan 8.190 nan 0.000 0.455 106 E N 0.008 120.061 120.200 -0.244 0.000 2.058 106 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 106 E C 2.220 178.702 176.600 -0.198 0.000 0.997 106 E CA 1.447 57.740 56.400 -0.177 0.000 0.801 106 E CB -0.270 29.342 29.700 -0.146 0.000 0.746 106 E HN 0.583 nan 8.360 nan 0.000 0.450 107 A N 0.442 123.100 122.820 -0.270 0.000 2.015 107 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 107 A C 2.091 179.470 177.584 -0.341 0.000 1.163 107 A CA 1.068 52.940 52.037 -0.275 0.000 0.646 107 A CB -0.271 18.559 19.000 -0.283 0.000 0.806 107 A HN 0.268 nan 8.150 nan 0.000 0.448 108 M N -0.428 118.889 119.600 -0.471 0.000 2.200 108 M HA -0.024 4.455 4.480 -0.001 0.000 0.265 108 M C 1.947 178.106 176.300 -0.236 0.000 1.066 108 M CA 1.074 56.114 55.300 -0.432 0.000 1.127 108 M CB -0.797 31.486 32.600 -0.529 0.000 1.379 108 M HN 0.311 nan 8.290 nan 0.000 0.420 109 I N -0.165 120.296 120.570 -0.181 0.000 2.286 109 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 109 I C 2.444 178.553 176.117 -0.013 0.000 1.115 109 I CA 1.300 62.552 61.300 -0.079 0.000 1.392 109 I CB -1.081 36.906 38.000 -0.021 0.000 1.065 109 I HN 0.357 nan 8.210 nan 0.000 0.418 110 R N 0.315 120.781 120.500 -0.056 0.000 2.073 110 R HA -0.226 4.114 4.340 -0.001 0.000 0.234 110 R C 2.274 178.548 176.300 -0.043 0.000 1.134 110 R CA 1.499 57.578 56.100 -0.035 0.000 0.952 110 R CB -0.356 29.905 30.300 -0.064 0.000 0.850 110 R HN 0.287 nan 8.270 nan 0.000 0.433 111 Q N 1.056 120.799 119.800 -0.094 0.000 2.124 111 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 111 Q C 1.904 177.866 176.000 -0.064 0.000 0.977 111 Q CA 1.308 57.055 55.803 -0.094 0.000 0.850 111 Q CB -0.311 28.342 28.738 -0.142 0.000 0.901 111 Q HN 0.215 nan 8.270 nan 0.000 0.429 112 L N 0.470 121.663 121.223 -0.050 0.000 2.017 112 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 112 L C 1.805 178.715 176.870 0.066 0.000 1.073 112 L CA 2.020 56.855 54.840 -0.010 0.000 0.745 112 L CB -0.586 41.433 42.059 -0.066 0.000 0.894 112 L HN 0.111 nan 8.230 nan 0.000 0.432 113 K N -0.645 119.844 120.400 0.148 0.000 2.063 113 K HA -0.209 4.111 4.320 -0.001 0.000 0.208 113 K C 2.052 178.666 176.600 0.024 0.000 1.048 113 K CA 1.728 58.116 56.287 0.168 0.000 0.928 113 K CB -0.110 32.481 32.500 0.151 0.000 0.713 113 K HN 0.243 nan 8.250 nan 0.000 0.442 114 E N 0.189 120.379 120.200 -0.017 0.000 2.072 114 E HA -0.062 4.287 4.350 -0.001 0.000 0.190 114 E C 2.015 178.550 176.600 -0.109 0.000 0.982 114 E CA 1.043 57.407 56.400 -0.060 0.000 0.803 114 E CB -0.099 29.567 29.700 -0.056 0.000 0.755 114 E HN 0.081 nan 8.360 nan 0.000 0.453 115 S N 0.220 115.848 115.700 -0.120 0.000 2.368 115 S HA -0.089 4.380 4.470 -0.001 0.000 0.225 115 S C 1.904 176.300 174.600 -0.341 0.000 1.030 115 S CA 0.789 58.878 58.200 -0.186 0.000 0.999 115 S CB -0.229 62.884 63.200 -0.146 0.000 0.844 115 S HN 0.194 nan 8.310 nan 0.000 0.459 116 L N 1.120 122.142 121.223 -0.336 0.000 2.083 116 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 116 L C 2.448 179.057 176.870 -0.435 0.000 1.083 116 L CA 1.229 55.736 54.840 -0.555 0.000 0.752 116 L CB -0.446 41.474 42.059 -0.233 0.000 0.899 116 L HN 0.241 nan 8.230 nan 0.000 0.433 117 K N 1.353 121.616 120.400 -0.229 0.000 2.057 117 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 117 K C 1.689 178.179 176.600 -0.184 0.000 1.050 117 K CA 1.601 57.792 56.287 -0.160 0.000 0.935 117 K CB -0.264 32.178 32.500 -0.098 0.000 0.715 117 K HN 0.159 nan 8.250 nan 0.000 0.439 118 A N 0.723 123.422 122.820 -0.201 0.000 2.291 118 A HA 0.120 4.439 4.320 -0.001 0.000 0.220 118 A C -0.154 177.297 177.584 -0.221 0.000 1.262 118 A CA 0.315 52.248 52.037 -0.173 0.000 0.867 118 A CB -0.694 18.225 19.000 -0.135 0.000 0.888 118 A HN 0.560 nan 8.150 nan 0.000 0.487 119 N N 0.317 118.813 118.700 -0.339 0.000 2.693 119 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 119 N C -0.852 174.451 175.510 -0.344 0.000 1.119 119 N CA 0.936 53.765 53.050 -0.368 0.000 0.717 119 N CB -1.438 36.959 38.487 -0.150 0.000 1.071 119 N HN 0.628 nan 8.380 nan 0.000 0.555 120 N N 0.660 119.108 118.700 -0.420 0.000 3.324 120 N HA 0.107 4.847 4.740 -0.001 0.000 0.302 120 N C 0.812 176.110 175.510 -0.354 0.000 1.360 120 N CA -0.187 52.702 53.050 -0.268 0.000 1.190 120 N CB -0.181 38.204 38.487 -0.169 0.000 1.462 120 N HN 0.325 nan 8.380 nan 0.000 0.532 121 Y N 0.725 120.833 120.300 -0.320 0.000 2.333 121 Y HA -0.139 4.410 4.550 -0.001 0.000 0.290 121 Y C 1.945 177.798 175.900 -0.079 0.000 1.144 121 Y CA 0.994 58.787 58.100 -0.511 0.000 1.228 121 Y CB -0.087 37.793 38.460 -0.967 0.000 0.985 121 Y HN 0.285 nan 8.280 nan 0.000 0.542 122 N N 0.019 118.744 118.700 0.041 0.000 2.084 122 N HA -0.150 4.590 4.740 -0.001 0.000 0.190 122 N C 1.613 176.947 175.510 -0.293 0.000 1.030 122 N CA 1.610 54.634 53.050 -0.043 0.000 0.849 122 N CB -0.157 38.327 38.487 -0.006 0.000 1.012 122 N HN 0.391 nan 8.380 nan 0.000 0.423 123 E N 0.023 120.157 120.200 -0.110 0.000 2.150 123 E HA -0.088 4.261 4.350 -0.001 0.000 0.193 123 E C 1.883 178.475 176.600 -0.014 0.000 0.985 123 E CA 0.852 57.245 56.400 -0.012 0.000 0.814 123 E CB -0.105 29.624 29.700 0.047 0.000 0.752 123 E HN 0.400 nan 8.360 nan 0.000 0.466 124 A N 1.152 123.975 122.820 0.006 0.000 1.933 124 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 124 A C 2.511 180.274 177.584 0.299 0.000 1.175 124 A CA 1.035 53.154 52.037 0.137 0.000 0.628 124 A CB -0.669 18.371 19.000 0.067 0.000 0.814 124 A HN 0.110 nan 8.150 nan 0.000 0.444 125 V N -0.904 119.200 119.914 0.316 0.000 2.332 125 V HA -0.307 3.813 4.120 -0.001 0.000 0.248 125 V C 2.448 178.619 176.094 0.128 0.000 1.055 125 V CA 2.159 64.575 62.300 0.192 0.000 1.038 125 V CB -1.048 30.839 31.823 0.107 0.000 0.651 125 V HN 0.686 nan 8.190 nan 0.000 0.450 126 Y N -0.294 120.126 120.300 0.201 0.000 2.224 126 Y HA -0.117 4.432 4.550 -0.001 0.000 0.289 126 Y C 2.260 178.239 175.900 0.133 0.000 1.146 126 Y CA 0.712 58.890 58.100 0.130 0.000 1.182 126 Y CB -0.993 37.538 38.460 0.119 0.000 0.983 126 Y HN 0.162 nan 8.280 nan 0.000 0.524 127 L N -1.220 120.147 121.223 0.240 0.000 2.083 127 L HA -0.175 4.165 4.340 -0.001 0.000 0.209 127 L C 2.261 179.230 176.870 0.166 0.000 1.083 127 L CA 0.774 55.703 54.840 0.148 0.000 0.752 127 L CB -0.709 41.381 42.059 0.052 0.000 0.899 127 L HN 0.076 nan 8.230 nan 0.000 0.433 128 V N -0.384 119.643 119.914 0.189 0.000 2.427 128 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 128 V C 2.616 178.809 176.094 0.166 0.000 1.051 128 V CA 1.557 63.968 62.300 0.185 0.000 1.048 128 V CB -0.561 31.450 31.823 0.313 0.000 0.666 128 V HN 0.386 nan 8.190 nan 0.000 0.456 129 R N -1.130 119.457 120.500 0.146 0.000 2.096 129 R HA -0.160 4.180 4.340 -0.001 0.000 0.235 129 R C 2.202 178.504 176.300 0.003 0.000 1.127 129 R CA 1.755 57.864 56.100 0.014 0.000 0.968 129 R CB -0.320 29.898 30.300 -0.137 0.000 0.861 129 R HN 0.490 nan 8.270 nan 0.000 0.440 130 F N 0.939 120.876 119.950 -0.021 0.000 2.102 130 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 130 F C 1.843 177.657 175.800 0.023 0.000 1.105 130 F CA 1.464 59.472 58.000 0.014 0.000 1.239 130 F CB -0.155 38.887 39.000 0.070 0.000 0.991 130 F HN -0.048 nan 8.300 nan 0.000 0.474 131 L N -0.926 120.438 121.223 0.234 0.000 2.042 131 L HA -0.266 4.073 4.340 -0.001 0.000 0.210 131 L C 2.496 179.372 176.870 0.009 0.000 1.076 131 L CA 1.421 56.320 54.840 0.098 0.000 0.749 131 L CB -0.982 41.074 42.059 -0.005 0.000 0.893 131 L HN 0.056 nan 8.230 nan 0.000 0.432 132 S N -0.359 115.357 115.700 0.026 0.000 2.348 132 S HA -0.248 4.221 4.470 -0.001 0.000 0.221 132 S C 1.658 176.274 174.600 0.027 0.000 1.033 132 S CA 1.786 60.020 58.200 0.057 0.000 1.010 132 S CB -0.343 62.978 63.200 0.202 0.000 0.891 132 S HN 0.466 nan 8.310 nan 0.000 0.442 133 D N 0.906 121.293 120.400 -0.021 0.000 2.264 133 D HA 0.021 4.660 4.640 -0.001 0.000 0.208 133 D C 1.673 177.849 176.300 -0.205 0.000 0.966 133 D CA 0.432 54.401 54.000 -0.052 0.000 0.864 133 D CB -0.201 40.565 40.800 -0.057 0.000 0.933 133 D HN 0.281 nan 8.370 nan 0.000 0.499 134 L N -0.533 120.583 121.223 -0.178 0.000 2.191 134 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 134 L C 2.272 179.055 176.870 -0.144 0.000 1.103 134 L CA 0.263 55.009 54.840 -0.156 0.000 0.769 134 L CB -0.133 41.921 42.059 -0.008 0.000 0.908 134 L HN 0.050 nan 8.230 nan 0.000 0.438 135 V N 0.092 119.940 119.914 -0.111 0.000 2.287 135 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 135 V C 2.134 178.094 176.094 -0.223 0.000 1.053 135 V CA 1.863 64.110 62.300 -0.088 0.000 1.027 135 V CB -0.634 31.165 31.823 -0.039 0.000 0.646 135 V HN 0.555 nan 8.190 nan 0.000 0.447 136 N N -0.436 118.072 118.700 -0.320 0.000 2.289 136 N HA -0.141 4.598 4.740 -0.001 0.000 0.184 136 N C 1.517 176.526 175.510 -0.835 0.000 1.016 136 N CA 1.702 54.438 53.050 -0.523 0.000 0.872 136 N CB -0.396 37.809 38.487 -0.469 0.000 0.973 136 N HN 0.465 nan 8.380 nan 0.000 0.433 137 C N 0.001 118.876 119.300 -0.708 0.000 2.626 137 C HA 0.135 4.595 4.460 -0.001 0.000 0.266 137 C C 0.404 175.260 174.990 -0.225 0.000 1.317 137 C CA -0.452 58.262 59.018 -0.507 0.000 1.716 137 C CB -1.571 25.953 27.740 -0.361 0.000 1.819 137 C HN 0.480 nan 8.230 nan 0.000 0.578 138 H N -1.391 117.625 119.070 -0.089 0.000 2.862 138 H HA -0.137 4.419 4.556 -0.001 0.000 0.290 138 H C 1.036 176.379 175.328 0.025 0.000 1.211 138 H CA 0.967 57.004 56.048 -0.018 0.000 1.140 138 H CB -1.657 28.106 29.762 0.003 0.000 1.341 138 H HN 0.397 nan 8.280 nan 0.000 0.392 139 V N -0.501 119.478 119.914 0.109 0.000 2.825 139 V HA 0.097 4.216 4.120 -0.001 0.000 0.246 139 V C 1.489 177.694 176.094 0.185 0.000 1.068 139 V CA 1.243 63.641 62.300 0.163 0.000 1.088 139 V CB 0.548 32.443 31.823 0.119 0.000 0.733 139 V HN 0.196 nan 8.190 nan 0.000 0.468 140 I N 0.339 120.973 120.570 0.107 0.000 2.465 140 I HA 0.598 4.768 4.170 -0.001 0.000 0.291 140 I C 0.140 176.296 176.117 0.066 0.000 1.014 140 I CA -0.689 60.662 61.300 0.084 0.000 1.093 140 I CB 1.764 39.783 38.000 0.031 0.000 1.267 140 I HN 0.089 nan 8.210 nan 0.000 0.431 141 A N 4.143 126.998 122.820 0.059 0.000 2.440 141 A HA 0.502 4.821 4.320 -0.001 0.000 0.251 141 A C 1.279 178.868 177.584 0.008 0.000 1.089 141 A CA 0.375 52.437 52.037 0.041 0.000 0.779 141 A CB 0.644 19.661 19.000 0.029 0.000 1.022 141 A HN 0.981 nan 8.150 nan 0.000 0.492 142 A N 3.700 126.529 122.820 0.014 0.000 1.908 142 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 142 A C -0.239 177.320 177.584 -0.042 0.000 1.181 142 A CA 2.058 54.089 52.037 -0.010 0.000 0.627 142 A CB -1.591 17.413 19.000 0.007 0.000 0.818 142 A HN 0.629 nan 8.150 nan 0.000 0.445 143 P HA -0.062 nan 4.420 nan 0.000 0.220 143 P C 1.583 178.839 177.300 -0.074 0.000 1.148 143 P CA 1.489 64.558 63.100 -0.051 0.000 0.803 143 P CB -0.063 31.615 31.700 -0.035 0.000 0.782 144 S N -1.118 114.539 115.700 -0.072 0.000 2.368 144 S HA -0.110 4.359 4.470 -0.001 0.000 0.225 144 S C 1.773 176.258 174.600 -0.192 0.000 1.030 144 S CA 1.207 59.349 58.200 -0.096 0.000 0.999 144 S CB -0.648 62.512 63.200 -0.067 0.000 0.844 144 S HN 0.083 nan 8.310 nan 0.000 0.459 145 M N 0.696 120.151 119.600 -0.241 0.000 2.288 145 M HA 0.070 4.550 4.480 -0.001 0.000 0.266 145 M C 2.137 178.133 176.300 -0.507 0.000 1.072 145 M CA 0.765 55.773 55.300 -0.486 0.000 1.132 145 M CB -1.424 30.919 32.600 -0.428 0.000 1.386 145 M HN 0.143 nan 8.290 nan 0.000 0.432 146 V N 0.654 120.438 119.914 -0.218 0.000 2.343 146 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 146 V C 2.693 178.698 176.094 -0.149 0.000 1.051 146 V CA 1.870 64.101 62.300 -0.116 0.000 1.036 146 V CB -1.316 30.464 31.823 -0.072 0.000 0.654 146 V HN 0.466 nan 8.190 nan 0.000 0.451 147 A N -0.626 122.105 122.820 -0.148 0.000 1.877 147 A HA -0.274 4.046 4.320 -0.001 0.000 0.216 147 A C 2.295 179.803 177.584 -0.128 0.000 1.186 147 A CA 2.356 54.328 52.037 -0.109 0.000 0.620 147 A CB -0.543 18.413 19.000 -0.074 0.000 0.822 147 A HN 0.504 nan 8.150 nan 0.000 0.443 148 M N -1.619 117.837 119.600 -0.241 0.000 2.108 148 M HA -0.135 4.345 4.480 -0.001 0.000 0.261 148 M C 1.592 177.680 176.300 -0.354 0.000 1.066 148 M CA 1.864 56.992 55.300 -0.287 0.000 1.107 148 M CB -0.208 32.077 32.600 -0.525 0.000 1.356 148 M HN 0.373 nan 8.290 nan 0.000 0.406 149 F N 0.895 120.594 119.950 -0.417 0.000 2.325 149 F HA -0.078 4.448 4.527 -0.001 0.000 0.299 149 F C 2.206 177.754 175.800 -0.419 0.000 1.090 149 F CA 1.044 58.710 58.000 -0.557 0.000 1.392 149 F CB -0.957 37.650 39.000 -0.656 0.000 1.053 149 F HN 0.268 nan 8.300 nan 0.000 0.521 150 E N 0.033 120.164 120.200 -0.114 0.000 2.077 150 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 150 E C 1.869 178.459 176.600 -0.017 0.000 0.989 150 E CA 1.207 57.547 56.400 -0.100 0.000 0.800 150 E CB -0.198 29.455 29.700 -0.079 0.000 0.746 150 E HN 0.309 nan 8.360 nan 0.000 0.452 151 N N 0.261 118.995 118.700 0.057 0.000 2.142 151 N HA -0.123 4.617 4.740 -0.001 0.000 0.186 151 N C 1.521 177.179 175.510 0.247 0.000 1.023 151 N CA 0.870 54.003 53.050 0.138 0.000 0.852 151 N CB -0.323 38.286 38.487 0.202 0.000 0.998 151 N HN 0.081 nan 8.380 nan 0.000 0.424 152 F N 0.969 120.969 119.950 0.083 0.000 2.134 152 F HA -0.064 4.463 4.527 -0.001 0.000 0.299 152 F C 2.343 178.144 175.800 0.001 0.000 1.097 152 F CA 0.431 58.522 58.000 0.151 0.000 1.264 152 F CB -0.983 38.243 39.000 0.377 0.000 1.001 152 F HN -0.165 nan 8.300 nan 0.000 0.479 153 V N -0.057 119.935 119.914 0.129 0.000 2.667 153 V HA -0.203 3.916 4.120 -0.001 0.000 0.252 153 V C 2.314 178.369 176.094 -0.065 0.000 1.065 153 V CA 1.646 63.942 62.300 -0.007 0.000 1.083 153 V CB -1.078 30.687 31.823 -0.097 0.000 0.692 153 V HN 0.472 nan 8.190 nan 0.000 0.468 154 S N -0.374 115.293 115.700 -0.054 0.000 2.474 154 S HA -0.115 4.354 4.470 -0.001 0.000 0.235 154 S C 1.859 176.380 174.600 -0.132 0.000 0.997 154 S CA 1.188 59.340 58.200 -0.080 0.000 0.949 154 S CB -0.367 62.798 63.200 -0.059 0.000 0.766 154 S HN 0.343 nan 8.310 nan 0.000 0.517 155 V N 3.159 122.965 119.914 -0.181 0.000 2.469 155 V HA -0.159 3.961 4.120 -0.001 0.000 0.251 155 V C 3.030 178.972 176.094 -0.252 0.000 1.064 155 V CA 2.022 64.168 62.300 -0.256 0.000 1.066 155 V CB -1.638 29.946 31.823 -0.399 0.000 0.667 155 V HN 0.892 nan 8.190 nan 0.000 0.461 156 T N -2.857 111.512 114.554 -0.308 0.000 3.113 156 T HA -0.149 4.201 4.350 -0.001 0.000 0.263 156 T C 1.552 176.110 174.700 -0.237 0.000 1.143 156 T CA 1.048 62.860 62.100 -0.480 0.000 1.090 156 T CB -0.075 68.342 68.868 -0.752 0.000 0.922 156 T HN 0.371 nan 8.240 nan 0.000 0.521 157 Q N 0.719 120.427 119.800 -0.153 0.000 2.319 157 Q HA 0.305 4.644 4.340 -0.001 0.000 0.209 157 Q C 0.378 176.333 176.000 -0.076 0.000 0.884 157 Q CA 0.008 55.760 55.803 -0.084 0.000 0.938 157 Q CB 0.241 28.941 28.738 -0.063 0.000 1.098 157 Q HN 0.680 nan 8.270 nan 0.000 0.517 158 E N 0.616 120.755 120.200 -0.102 0.000 2.422 158 E HA 0.026 4.376 4.350 -0.001 0.000 0.260 158 E C -0.545 176.019 176.600 -0.059 0.000 1.108 158 E CA 0.356 56.708 56.400 -0.081 0.000 0.943 158 E CB 0.534 30.175 29.700 -0.099 0.000 0.961 158 E HN 0.179 nan 8.360 nan 0.000 0.443 159 E N 1.439 121.617 120.200 -0.037 0.000 2.191 159 E HA 0.063 4.413 4.350 -0.001 0.000 0.274 159 E C -1.001 175.590 176.600 -0.014 0.000 0.948 159 E CA -0.513 55.873 56.400 -0.022 0.000 0.802 159 E CB 0.982 30.674 29.700 -0.012 0.000 1.137 159 E HN 0.397 nan 8.360 nan 0.000 0.397 160 D N 0.699 121.091 120.400 -0.013 0.000 2.697 160 D HA -0.151 4.489 4.640 -0.001 0.000 0.238 160 D C -0.476 175.821 176.300 -0.005 0.000 1.152 160 D CA 0.809 54.808 54.000 -0.003 0.000 0.666 160 D CB -1.437 39.374 40.800 0.017 0.000 1.037 160 D HN 0.219 nan 8.370 nan 0.000 0.423 161 V N -3.892 115.977 119.914 -0.075 0.000 3.001 161 V HA 0.788 4.908 4.120 -0.001 0.000 0.314 161 V C -2.538 173.401 176.094 -0.258 0.000 1.099 161 V CA -2.138 60.038 62.300 -0.206 0.000 0.989 161 V CB 2.126 33.803 31.823 -0.243 0.000 1.040 161 V HN -0.249 nan 8.190 nan 0.000 0.434 162 P HA 0.162 nan 4.420 nan 0.000 0.268 162 P C 0.523 177.663 177.300 -0.266 0.000 1.205 162 P CA 0.118 63.049 63.100 -0.282 0.000 0.771 162 P CB 0.606 32.130 31.700 -0.292 0.000 0.858 163 Q N 2.583 122.293 119.800 -0.149 0.000 2.135 163 Q HA -0.165 4.174 4.340 -0.001 0.000 0.204 163 Q C 1.502 177.440 176.000 -0.104 0.000 0.981 163 Q CA 1.960 57.723 55.803 -0.066 0.000 0.856 163 Q CB -0.294 28.430 28.738 -0.023 0.000 0.902 163 Q HN 0.393 nan 8.270 nan 0.000 0.425 164 V N -1.164 118.642 119.914 -0.179 0.000 2.720 164 V HA -0.228 3.892 4.120 -0.001 0.000 0.256 164 V C 2.291 178.188 176.094 -0.328 0.000 1.082 164 V CA 2.091 64.286 62.300 -0.175 0.000 1.101 164 V CB -0.945 30.796 31.823 -0.137 0.000 0.693 164 V HN 0.334 nan 8.190 nan 0.000 0.479 165 R N 0.669 120.762 120.500 -0.677 0.000 2.057 165 R HA -0.049 4.290 4.340 -0.001 0.000 0.229 165 R C 2.630 178.762 176.300 -0.281 0.000 1.136 165 R CA 1.394 56.880 56.100 -1.023 0.000 0.952 165 R CB -0.248 29.258 30.300 -1.324 0.000 0.848 165 R HN 0.443 nan 8.270 nan 0.000 0.430 166 R N 0.482 120.848 120.500 -0.223 0.000 2.081 166 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 166 R C 1.900 178.184 176.300 -0.026 0.000 1.131 166 R CA 1.666 57.660 56.100 -0.176 0.000 0.960 166 R CB -0.317 29.769 30.300 -0.356 0.000 0.856 166 R HN 0.313 nan 8.270 nan 0.000 0.436 167 D N -0.170 120.286 120.400 0.093 0.000 2.104 167 D HA -0.216 4.423 4.640 -0.001 0.000 0.194 167 D C 1.424 177.852 176.300 0.214 0.000 0.994 167 D CA 1.003 55.124 54.000 0.202 0.000 0.830 167 D CB -0.344 40.567 40.800 0.186 0.000 0.959 167 D HN 0.281 nan 8.370 nan 0.000 0.452 168 W N 0.397 121.705 121.300 0.013 0.000 2.355 168 W HA -0.253 4.406 4.660 -0.001 0.000 0.309 168 W C 2.093 178.633 176.519 0.034 0.000 1.206 168 W CA 1.406 58.752 57.345 0.001 0.000 1.284 168 W CB -0.671 28.647 29.460 -0.236 0.000 1.145 168 W HN -0.001 nan 8.180 nan 0.000 0.502 169 Y N -0.431 119.968 120.300 0.166 0.000 2.224 169 Y HA -0.249 4.300 4.550 -0.001 0.000 0.289 169 Y C 2.443 178.389 175.900 0.077 0.000 1.146 169 Y CA 1.907 59.996 58.100 -0.018 0.000 1.182 169 Y CB -1.065 37.400 38.460 0.010 0.000 0.983 169 Y HN -0.217 nan 8.280 nan 0.000 0.524 170 V N -1.191 118.855 119.914 0.220 0.000 2.453 170 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 170 V C 1.934 178.128 176.094 0.166 0.000 1.048 170 V CA 1.805 64.260 62.300 0.260 0.000 1.049 170 V CB -0.821 31.147 31.823 0.241 0.000 0.672 170 V HN 0.454 nan 8.190 nan 0.000 0.457 171 Y N 1.610 121.873 120.300 -0.062 0.000 2.145 171 Y HA -0.190 4.360 4.550 -0.001 0.000 0.286 171 Y C 2.399 178.192 175.900 -0.178 0.000 1.145 171 Y CA 1.558 59.590 58.100 -0.112 0.000 1.148 171 Y CB -0.565 37.876 38.460 -0.032 0.000 0.981 171 Y HN 0.143 nan 8.280 nan 0.000 0.507 172 A N 0.144 122.725 122.820 -0.399 0.000 1.940 172 A HA -0.214 4.106 4.320 -0.001 0.000 0.219 172 A C 2.138 179.679 177.584 -0.071 0.000 1.176 172 A CA 1.727 53.541 52.037 -0.371 0.000 0.631 172 A CB -1.487 17.103 19.000 -0.685 0.000 0.814 172 A HN 0.670 nan 8.150 nan 0.000 0.446 173 F N 0.584 120.434 119.950 -0.167 0.000 2.074 173 F HA -0.051 4.475 4.527 -0.001 0.000 0.293 173 F C 1.870 177.362 175.800 -0.513 0.000 1.116 173 F CA 1.519 59.177 58.000 -0.569 0.000 1.212 173 F CB -0.818 37.957 39.000 -0.374 0.000 0.998 173 F HN 0.120 nan 8.300 nan 0.000 0.471 174 L N 0.547 121.287 121.223 -0.806 0.000 2.042 174 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 174 L C 2.655 179.206 176.870 -0.532 0.000 1.076 174 L CA 1.706 56.077 54.840 -0.782 0.000 0.749 174 L CB -1.080 40.728 42.059 -0.419 0.000 0.893 174 L HN 0.424 nan 8.230 nan 0.000 0.432 175 S N -2.179 113.214 115.700 -0.512 0.000 2.555 175 S HA -0.058 4.411 4.470 -0.001 0.000 0.230 175 S C 1.828 176.479 174.600 0.085 0.000 0.978 175 S CA 0.895 58.895 58.200 -0.334 0.000 0.934 175 S CB -0.002 62.882 63.200 -0.526 0.000 0.766 175 S HN 0.270 nan 8.310 nan 0.000 0.533 176 S N 1.285 116.979 115.700 -0.010 0.000 2.501 176 S HA 0.327 4.797 4.470 -0.001 0.000 0.220 176 S C 1.533 176.318 174.600 0.307 0.000 0.997 176 S CA 0.122 58.452 58.200 0.216 0.000 0.919 176 S CB -0.313 63.015 63.200 0.213 0.000 0.778 176 S HN 0.476 nan 8.310 nan 0.000 0.523 177 L N 1.403 122.671 121.223 0.075 0.000 2.141 177 L HA -0.029 4.311 4.340 -0.001 0.000 0.209 177 L C -1.019 175.957 176.870 0.177 0.000 1.094 177 L CA 0.995 55.890 54.840 0.091 0.000 0.763 177 L CB -1.709 40.352 42.059 0.004 0.000 0.908 177 L HN 0.166 nan 8.230 nan 0.000 0.437 178 P HA -0.189 nan 4.420 nan 0.000 0.219 178 P C 1.367 178.591 177.300 -0.127 0.000 1.146 178 P CA 1.445 64.500 63.100 -0.075 0.000 0.808 178 P CB -0.028 31.494 31.700 -0.296 0.000 0.779 179 W N -1.618 119.761 121.300 0.132 0.000 2.480 179 W HA 0.134 4.794 4.660 -0.001 0.000 0.299 179 W C 1.764 178.349 176.519 0.109 0.000 1.187 179 W CA 0.669 58.093 57.345 0.132 0.000 1.347 179 W CB -0.672 28.869 29.460 0.136 0.000 1.121 179 W HN -0.265 nan 8.180 nan 0.000 0.533 180 V N 0.149 120.258 119.914 0.324 0.000 3.477 180 V HA 0.201 4.320 4.120 -0.001 0.000 0.297 180 V C 1.931 178.067 176.094 0.071 0.000 1.433 180 V CA 1.038 63.451 62.300 0.189 0.000 1.052 180 V CB -0.030 31.916 31.823 0.205 0.000 0.895 180 V HN 0.091 nan 8.190 nan 0.000 0.438 181 G N 0.515 109.332 108.800 0.028 0.000 2.529 181 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.219 181 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.219 181 G C 1.468 176.047 174.900 -0.535 0.000 1.177 181 G CA 1.523 46.430 45.100 -0.322 0.000 0.773 181 G HN 0.520 nan 8.290 nan 0.000 0.573 182 K N 0.079 120.402 120.400 -0.129 0.000 2.032 182 K HA -0.154 4.166 4.320 -0.001 0.000 0.209 182 K C 2.434 179.009 176.600 -0.041 0.000 1.048 182 K CA 1.759 58.027 56.287 -0.031 0.000 0.927 182 K CB -0.164 32.430 32.500 0.157 0.000 0.712 182 K HN 0.287 nan 8.250 nan 0.000 0.441 183 E N 0.871 121.067 120.200 -0.005 0.000 2.051 183 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 183 E C 1.915 178.508 176.600 -0.011 0.000 0.991 183 E CA 1.371 57.781 56.400 0.016 0.000 0.799 183 E CB -0.227 29.491 29.700 0.028 0.000 0.748 183 E HN 0.349 nan 8.360 nan 0.000 0.449 184 L N -0.567 120.634 121.223 -0.038 0.000 2.083 184 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 184 L C 2.301 179.144 176.870 -0.046 0.000 1.083 184 L CA 1.415 56.238 54.840 -0.029 0.000 0.752 184 L CB -0.589 41.477 42.059 0.011 0.000 0.899 184 L HN 0.238 nan 8.230 nan 0.000 0.433 185 Y N 0.948 121.079 120.300 -0.282 0.000 2.314 185 Y HA -0.164 4.386 4.550 -0.001 0.000 0.293 185 Y C 2.629 178.485 175.900 -0.073 0.000 1.129 185 Y CA 1.175 59.139 58.100 -0.225 0.000 1.201 185 Y CB 0.005 38.167 38.460 -0.496 0.000 0.999 185 Y HN 0.188 nan 8.280 nan 0.000 0.541 186 E N -0.321 119.882 120.200 0.006 0.000 2.072 186 E HA -0.185 4.165 4.350 -0.001 0.000 0.191 186 E C 1.968 178.542 176.600 -0.043 0.000 0.985 186 E CA 1.082 57.486 56.400 0.007 0.000 0.801 186 E CB -0.015 29.714 29.700 0.048 0.000 0.750 186 E HN 0.347 nan 8.360 nan 0.000 0.452 187 K N 0.422 120.796 120.400 -0.043 0.000 2.098 187 K HA 0.024 4.344 4.320 -0.001 0.000 0.203 187 K C 0.863 177.417 176.600 -0.076 0.000 1.051 187 K CA 0.757 57.017 56.287 -0.044 0.000 0.957 187 K CB 0.318 32.805 32.500 -0.022 0.000 0.738 187 K HN -0.078 nan 8.250 nan 0.000 0.447 188 K N 2.155 122.489 120.400 -0.110 0.000 3.146 188 K HA 0.063 4.382 4.320 -0.001 0.000 0.168 188 K C 0.114 176.593 176.600 -0.203 0.000 1.075 188 K CA -0.054 56.160 56.287 -0.122 0.000 0.843 188 K CB 0.915 33.367 32.500 -0.081 0.000 1.002 188 K HN 0.127 nan 8.250 nan 0.000 0.597 189 D N 0.459 120.653 120.400 -0.343 0.000 2.144 189 D HA -0.171 4.469 4.640 -0.001 0.000 0.199 189 D C 1.332 177.462 176.300 -0.284 0.000 0.984 189 D CA 1.214 54.815 54.000 -0.666 0.000 0.834 189 D CB 0.177 40.458 40.800 -0.865 0.000 0.955 189 D HN 0.154 nan 8.370 nan 0.000 0.465 190 A N 0.902 123.635 122.820 -0.145 0.000 1.898 190 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 190 A C 2.162 179.735 177.584 -0.017 0.000 1.181 190 A CA 1.628 53.640 52.037 -0.041 0.000 0.620 190 A CB -0.519 18.461 19.000 -0.032 0.000 0.819 190 A HN 0.152 nan 8.150 nan 0.000 0.442 191 E N -0.456 119.714 120.200 -0.049 0.000 2.051 191 E HA -0.153 4.197 4.350 -0.001 0.000 0.192 191 E C 2.090 178.652 176.600 -0.063 0.000 0.991 191 E CA 1.416 57.786 56.400 -0.050 0.000 0.799 191 E CB -0.316 29.347 29.700 -0.063 0.000 0.748 191 E HN 0.448 nan 8.360 nan 0.000 0.449 192 M N 0.781 120.345 119.600 -0.061 0.000 2.117 192 M HA -0.147 4.332 4.480 -0.001 0.000 0.262 192 M C 1.454 177.708 176.300 -0.078 0.000 1.065 192 M CA 1.363 56.584 55.300 -0.131 0.000 1.114 192 M CB -0.896 31.756 32.600 0.088 0.000 1.361 192 M HN 0.059 nan 8.290 nan 0.000 0.408 193 D N 0.068 120.613 120.400 0.242 0.000 2.149 193 D HA -0.148 4.491 4.640 -0.001 0.000 0.198 193 D C 2.201 178.647 176.300 0.243 0.000 0.990 193 D CA 1.086 55.325 54.000 0.399 0.000 0.839 193 D CB -0.193 40.805 40.800 0.329 0.000 0.948 193 D HN 0.393 nan 8.370 nan 0.000 0.460 194 R N 0.095 120.659 120.500 0.106 0.000 2.092 194 R HA -0.014 4.326 4.340 -0.001 0.000 0.231 194 R C 2.558 178.882 176.300 0.041 0.000 1.119 194 R CA 0.628 56.769 56.100 0.069 0.000 0.970 194 R CB -0.252 30.062 30.300 0.023 0.000 0.864 194 R HN 0.274 nan 8.270 nan 0.000 0.440 195 I N 0.099 120.631 120.570 -0.063 0.000 2.315 195 I HA -0.240 3.929 4.170 -0.001 0.000 0.248 195 I C 1.717 177.870 176.117 0.060 0.000 1.117 195 I CA 1.197 62.418 61.300 -0.132 0.000 1.404 195 I CB -0.217 37.564 38.000 -0.365 0.000 1.071 195 I HN -0.002 nan 8.210 nan 0.000 0.419 196 F N 1.078 121.216 119.950 0.313 0.000 2.163 196 F HA -0.089 4.438 4.527 -0.001 0.000 0.297 196 F C 2.646 178.641 175.800 0.325 0.000 1.094 196 F CA 0.889 59.159 58.000 0.450 0.000 1.290 196 F CB -1.296 37.987 39.000 0.472 0.000 1.017 196 F HN -0.019 nan 8.300 nan 0.000 0.483 197 A N 0.424 123.480 122.820 0.394 0.000 1.883 197 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 197 A C 2.059 179.733 177.584 0.149 0.000 1.186 197 A CA 2.264 54.445 52.037 0.239 0.000 0.624 197 A CB -1.258 17.846 19.000 0.173 0.000 0.822 197 A HN 0.502 nan 8.150 nan 0.000 0.444 198 N N -1.092 117.684 118.700 0.127 0.000 2.188 198 N HA -0.101 4.639 4.740 -0.001 0.000 0.184 198 N C 1.672 177.234 175.510 0.087 0.000 1.018 198 N CA 1.577 54.674 53.050 0.078 0.000 0.858 198 N CB -0.209 38.303 38.487 0.042 0.000 0.989 198 N HN 0.475 nan 8.380 nan 0.000 0.426 199 T N 0.637 115.274 114.554 0.138 0.000 2.708 199 T HA -0.194 4.155 4.350 -0.001 0.000 0.266 199 T C 1.704 176.303 174.700 -0.169 0.000 1.037 199 T CA 1.149 63.317 62.100 0.112 0.000 1.146 199 T CB -0.274 68.802 68.868 0.347 0.000 0.865 199 T HN 0.352 nan 8.240 nan 0.000 0.435 200 E N 1.047 121.053 120.200 -0.322 0.000 2.077 200 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 200 E C 2.362 178.789 176.600 -0.288 0.000 0.989 200 E CA 1.464 57.519 56.400 -0.574 0.000 0.800 200 E CB -0.093 29.437 29.700 -0.283 0.000 0.746 200 E HN 0.595 nan 8.360 nan 0.000 0.452 201 S N -0.306 115.331 115.700 -0.105 0.000 2.382 201 S HA -0.236 4.233 4.470 -0.001 0.000 0.228 201 S C 2.066 176.636 174.600 -0.050 0.000 1.027 201 S CA 1.103 59.269 58.200 -0.057 0.000 0.991 201 S CB -0.769 62.432 63.200 0.002 0.000 0.823 201 S HN 0.536 nan 8.310 nan 0.000 0.469 202 Y N 2.673 122.898 120.300 -0.125 0.000 2.145 202 Y HA 0.029 4.579 4.550 -0.001 0.000 0.286 202 Y C 1.995 177.805 175.900 -0.150 0.000 1.145 202 Y CA 1.311 59.344 58.100 -0.112 0.000 1.148 202 Y CB -0.628 37.782 38.460 -0.083 0.000 0.981 202 Y HN 0.228 nan 8.280 nan 0.000 0.507 203 L N 0.178 121.135 121.223 -0.444 0.000 2.131 203 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 203 L C 2.346 178.957 176.870 -0.432 0.000 1.092 203 L CA 1.648 56.157 54.840 -0.552 0.000 0.759 203 L CB -0.528 41.188 42.059 -0.570 0.000 0.903 203 L HN 0.179 nan 8.230 nan 0.000 0.435 204 K N 0.342 120.546 120.400 -0.328 0.000 2.288 204 K HA -0.102 4.218 4.320 -0.001 0.000 0.201 204 K C 1.823 178.307 176.600 -0.193 0.000 1.048 204 K CA 0.883 57.037 56.287 -0.221 0.000 0.956 204 K CB 0.035 32.442 32.500 -0.156 0.000 0.746 204 K HN 0.464 nan 8.250 nan 0.000 0.461 205 R N 0.609 120.972 120.500 -0.228 0.000 2.362 205 R HA 0.169 4.508 4.340 -0.001 0.000 0.227 205 R C 0.194 176.366 176.300 -0.212 0.000 0.905 205 R CA -0.265 55.730 56.100 -0.174 0.000 1.067 205 R CB 0.044 30.279 30.300 -0.107 0.000 1.078 205 R HN -0.088 nan 8.270 nan 0.000 0.516 206 R N 2.125 122.424 120.500 -0.335 0.000 2.623 206 R HA 0.037 4.376 4.340 -0.001 0.000 0.271 206 R C -0.013 176.205 176.300 -0.136 0.000 1.043 206 R CA 0.201 56.123 56.100 -0.295 0.000 1.083 206 R CB 0.508 30.585 30.300 -0.371 0.000 0.974 206 R HN 0.165 nan 8.270 nan 0.000 0.436 207 Q N 2.310 122.071 119.800 -0.066 0.000 2.327 207 Q HA 0.052 4.391 4.340 -0.001 0.000 0.254 207 Q C 0.191 176.210 176.000 0.032 0.000 0.952 207 Q CA 0.205 55.996 55.803 -0.021 0.000 0.884 207 Q CB 1.169 29.907 28.738 0.000 0.000 1.224 207 Q HN 0.325 nan 8.270 nan 0.000 0.422 208 K N 1.757 122.128 120.400 -0.048 0.000 2.514 208 K HA 0.122 4.441 4.320 -0.001 0.000 0.207 208 K C 1.093 177.524 176.600 -0.281 0.000 1.035 208 K CA 0.025 56.193 56.287 -0.197 0.000 1.113 208 K CB 0.506 32.900 32.500 -0.177 0.000 0.846 208 K HN 0.531 nan 8.250 nan 0.000 0.491 209 T N 1.229 115.729 114.554 -0.089 0.000 2.803 209 T HA -0.156 4.194 4.350 -0.001 0.000 0.269 209 T C 1.599 176.245 174.700 -0.091 0.000 1.052 209 T CA 1.575 63.633 62.100 -0.070 0.000 1.136 209 T CB -0.274 68.583 68.868 -0.019 0.000 0.864 209 T HN 0.458 nan 8.240 nan 0.000 0.467 210 H N 0.559 119.583 119.070 -0.076 0.000 2.524 210 H HA 0.151 4.706 4.556 -0.001 0.000 0.282 210 H C 2.090 177.386 175.328 -0.054 0.000 1.016 210 H CA 0.463 56.462 56.048 -0.082 0.000 1.270 210 H CB -1.085 28.625 29.762 -0.088 0.000 1.394 210 H HN 0.232 nan 8.280 nan 0.000 0.568 211 V N 2.484 122.104 119.914 -0.489 0.000 2.252 211 V HA -0.197 3.923 4.120 -0.001 0.000 0.249 211 V C -0.252 175.778 176.094 -0.106 0.000 1.056 211 V CA 2.317 64.450 62.300 -0.278 0.000 1.022 211 V CB -1.460 30.193 31.823 -0.283 0.000 0.641 211 V HN 0.427 nan 8.190 nan 0.000 0.445 212 P HA -0.167 nan 4.420 nan 0.000 0.220 212 P C 1.792 179.068 177.300 -0.039 0.000 1.148 212 P CA 1.487 64.558 63.100 -0.050 0.000 0.803 212 P CB -0.152 31.522 31.700 -0.043 0.000 0.782 213 M N -1.602 117.975 119.600 -0.038 0.000 2.562 213 M HA 0.015 4.494 4.480 -0.001 0.000 0.257 213 M C 0.900 177.188 176.300 -0.020 0.000 1.099 213 M CA 1.446 56.730 55.300 -0.026 0.000 1.099 213 M CB -0.231 32.357 32.600 -0.021 0.000 1.427 213 M HN -0.105 nan 8.290 nan 0.000 0.489 214 L N -0.845 120.370 121.223 -0.014 0.000 2.781 214 L HA 0.258 4.598 4.340 -0.001 0.000 0.245 214 L C 0.341 177.205 176.870 -0.010 0.000 1.118 214 L CA -0.245 54.590 54.840 -0.008 0.000 0.918 214 L CB 0.242 42.316 42.059 0.024 0.000 1.246 214 L HN 0.189 nan 8.230 nan 0.000 0.526 215 Q N 0.291 120.082 119.800 -0.015 0.000 2.332 215 Q HA 0.077 4.417 4.340 -0.001 0.000 0.263 215 Q C 1.035 176.988 176.000 -0.079 0.000 0.979 215 Q CA -0.303 55.497 55.803 -0.005 0.000 0.885 215 Q CB 2.352 31.098 28.738 0.014 0.000 1.218 215 Q HN 0.012 nan 8.270 nan 0.000 0.405 216 V N 2.289 122.129 119.914 -0.123 0.000 2.453 216 V HA -0.084 4.036 4.120 -0.001 0.000 0.247 216 V C 0.269 175.979 176.094 -0.641 0.000 1.048 216 V CA 1.085 63.113 62.300 -0.453 0.000 1.049 216 V CB -0.015 31.433 31.823 -0.625 0.000 0.672 216 V HN 0.654 nan 8.190 nan 0.000 0.457 217 W N -0.514 120.729 121.300 -0.094 0.000 2.844 217 W HA 0.372 5.032 4.660 -0.001 0.000 0.340 217 W C 1.105 177.575 176.519 -0.082 0.000 1.093 217 W CA 0.031 57.308 57.345 -0.113 0.000 1.212 217 W CB 1.452 30.825 29.460 -0.146 0.000 1.422 217 W HN 0.063 nan 8.180 nan 0.000 0.515 218 T N -1.228 113.415 114.554 0.149 0.000 3.051 218 T HA 0.226 4.576 4.350 -0.001 0.000 0.255 218 T C 0.959 175.694 174.700 0.057 0.000 1.085 218 T CA 0.295 62.440 62.100 0.075 0.000 1.109 218 T CB 0.030 68.923 68.868 0.042 0.000 0.921 218 T HN 0.374 nan 8.240 nan 0.000 0.488 219 A N 1.928 124.783 122.820 0.057 0.000 2.520 219 A HA 0.216 4.536 4.320 -0.001 0.000 0.235 219 A C 1.071 178.634 177.584 -0.035 0.000 1.065 219 A CA -0.070 51.959 52.037 -0.014 0.000 0.764 219 A CB 0.026 18.985 19.000 -0.069 0.000 1.002 219 A HN 0.338 nan 8.150 nan 0.000 0.502 220 D N 0.493 120.860 120.400 -0.054 0.000 2.333 220 D HA 0.060 4.699 4.640 -0.001 0.000 0.208 220 D C 0.137 176.369 176.300 -0.113 0.000 0.984 220 D CA 1.143 55.108 54.000 -0.060 0.000 0.873 220 D CB 0.292 41.064 40.800 -0.047 0.000 0.935 220 D HN 0.538 nan 8.370 nan 0.000 0.521 221 K N 0.731 121.039 120.400 -0.154 0.000 2.318 221 K HA 0.273 4.593 4.320 -0.001 0.000 0.249 221 K C -1.788 174.622 176.600 -0.315 0.000 0.942 221 K CA -1.482 54.669 56.287 -0.227 0.000 0.808 221 K CB 2.622 35.013 32.500 -0.182 0.000 1.189 221 K HN -0.235 nan 8.250 nan 0.000 0.428 222 P HA -0.056 nan 4.420 nan 0.000 0.231 222 P C -0.532 176.344 177.300 -0.707 0.000 1.168 222 P CA 0.875 63.630 63.100 -0.575 0.000 0.779 222 P CB 0.437 31.694 31.700 -0.739 0.000 0.844 223 H N 0.225 119.138 119.070 -0.261 0.000 2.658 223 H HA 0.377 4.932 4.556 -0.001 0.000 0.337 223 H C -2.556 172.673 175.328 -0.164 0.000 1.009 223 H CA -2.578 53.342 56.048 -0.212 0.000 1.231 223 H CB 1.503 31.111 29.762 -0.256 0.000 1.508 223 H HN -0.009 nan 8.280 nan 0.000 0.517 224 P HA -0.001 nan 4.420 nan 0.000 0.268 224 P C -0.094 177.236 177.300 0.050 0.000 1.204 224 P CA -0.213 62.897 63.100 0.017 0.000 0.768 224 P CB 0.789 32.501 31.700 0.020 0.000 0.842 225 Q N 2.581 122.424 119.800 0.072 0.000 2.406 225 Q HA 0.203 4.543 4.340 -0.001 0.000 0.242 225 Q C -0.102 175.953 176.000 0.091 0.000 1.036 225 Q CA 0.062 55.924 55.803 0.098 0.000 0.904 225 Q CB 0.604 29.424 28.738 0.136 0.000 1.244 225 Q HN 0.485 nan 8.270 nan 0.000 0.478 226 E N 1.537 121.804 120.200 0.112 0.000 2.301 226 E HA 0.101 4.451 4.350 -0.001 0.000 0.275 226 E C -0.166 176.523 176.600 0.148 0.000 1.030 226 E CA -0.550 55.924 56.400 0.123 0.000 0.852 226 E CB 1.268 31.065 29.700 0.161 0.000 1.060 226 E HN 0.279 nan 8.360 nan 0.000 0.401 227 E N 2.390 122.664 120.200 0.123 0.000 2.415 227 E HA -0.101 4.248 4.350 -0.001 0.000 0.263 227 E C 0.417 177.151 176.600 0.224 0.000 0.995 227 E CA 0.185 56.692 56.400 0.178 0.000 0.915 227 E CB 0.426 30.189 29.700 0.107 0.000 0.951 227 E HN 0.572 nan 8.360 nan 0.000 0.449 228 Y N 4.348 124.721 120.300 0.122 0.000 2.207 228 Y HA -0.185 4.364 4.550 -0.001 0.000 0.287 228 Y C 1.645 177.643 175.900 0.163 0.000 1.156 228 Y CA 1.245 59.433 58.100 0.146 0.000 1.182 228 Y CB -0.500 38.029 38.460 0.117 0.000 0.979 228 Y HN 0.483 nan 8.280 nan 0.000 0.521 229 L N 0.098 120.980 121.223 -0.567 0.000 2.179 229 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 229 L C 2.046 178.854 176.870 -0.104 0.000 1.096 229 L CA 1.175 55.767 54.840 -0.413 0.000 0.779 229 L CB -0.484 41.289 42.059 -0.477 0.000 0.922 229 L HN 0.162 nan 8.230 nan 0.000 0.443 230 D N -0.740 119.626 120.400 -0.055 0.000 2.117 230 D HA -0.214 4.426 4.640 -0.001 0.000 0.197 230 D C 2.177 178.499 176.300 0.037 0.000 0.987 230 D CA 1.236 55.242 54.000 0.010 0.000 0.829 230 D CB -0.325 40.483 40.800 0.013 0.000 0.961 230 D HN 0.342 nan 8.370 nan 0.000 0.460 231 C N 0.356 119.692 119.300 0.061 0.000 2.462 231 C HA -0.080 4.380 4.460 -0.001 0.000 0.278 231 C C 2.665 177.646 174.990 -0.015 0.000 1.253 231 C CA 0.355 59.419 59.018 0.076 0.000 1.713 231 C CB -1.145 26.715 27.740 0.200 0.000 2.049 231 C HN 0.273 nan 8.230 nan 0.000 0.477 232 L N 0.795 122.021 121.223 0.005 0.000 2.083 232 L HA -0.091 4.249 4.340 -0.001 0.000 0.209 232 L C 2.235 179.017 176.870 -0.147 0.000 1.083 232 L CA 2.277 57.042 54.840 -0.125 0.000 0.752 232 L CB -1.185 40.795 42.059 -0.133 0.000 0.899 232 L HN 0.741 nan 8.230 nan 0.000 0.433 233 W N 0.299 121.459 121.300 -0.233 0.000 2.358 233 W HA -0.245 4.415 4.660 -0.001 0.000 0.303 233 W C 2.130 178.476 176.519 -0.288 0.000 1.208 233 W CA 1.890 59.093 57.345 -0.235 0.000 1.274 233 W CB -0.191 29.164 29.460 -0.174 0.000 1.138 233 W HN 0.359 nan 8.180 nan 0.000 0.515 234 A N 0.890 123.524 122.820 -0.311 0.000 1.933 234 A HA -0.273 4.046 4.320 -0.001 0.000 0.218 234 A C 1.899 179.157 177.584 -0.543 0.000 1.175 234 A CA 1.990 53.699 52.037 -0.547 0.000 0.628 234 A CB -0.957 17.514 19.000 -0.880 0.000 0.814 234 A HN 0.554 nan 8.150 nan 0.000 0.444 235 Q N -0.622 118.930 119.800 -0.413 0.000 2.079 235 Q HA -0.105 4.235 4.340 -0.001 0.000 0.200 235 Q C 1.934 177.684 176.000 -0.417 0.000 0.974 235 Q CA 1.278 56.898 55.803 -0.305 0.000 0.840 235 Q CB -0.251 28.370 28.738 -0.195 0.000 0.898 235 Q HN 0.588 nan 8.270 nan 0.000 0.430 236 I N 0.866 121.123 120.570 -0.522 0.000 2.315 236 I HA -0.222 3.948 4.170 -0.001 0.000 0.248 236 I C 2.230 177.840 176.117 -0.845 0.000 1.117 236 I CA 1.286 62.212 61.300 -0.624 0.000 1.404 236 I CB -1.144 36.489 38.000 -0.611 0.000 1.071 236 I HN 0.281 nan 8.210 nan 0.000 0.419 237 Q N 0.739 119.981 119.800 -0.930 0.000 2.124 237 Q HA -0.219 4.121 4.340 -0.001 0.000 0.202 237 Q C 2.222 177.833 176.000 -0.648 0.000 0.977 237 Q CA 1.332 56.618 55.803 -0.862 0.000 0.850 237 Q CB -0.376 27.893 28.738 -0.781 0.000 0.901 237 Q HN 0.521 nan 8.270 nan 0.000 0.429 238 K N 0.421 120.511 120.400 -0.515 0.000 2.057 238 K HA -0.149 4.171 4.320 -0.001 0.000 0.207 238 K C 2.107 178.430 176.600 -0.462 0.000 1.049 238 K CA 0.717 56.770 56.287 -0.391 0.000 0.931 238 K CB -0.111 32.237 32.500 -0.254 0.000 0.714 238 K HN 0.087 nan 8.250 nan 0.000 0.440 239 L N 2.001 122.899 121.223 -0.540 0.000 2.046 239 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 239 L C 2.280 178.537 176.870 -1.022 0.000 1.077 239 L CA 1.867 56.349 54.840 -0.597 0.000 0.747 239 L CB -0.512 41.257 42.059 -0.484 0.000 0.896 239 L HN 0.121 nan 8.230 nan 0.000 0.432 240 K N -0.311 119.223 120.400 -1.443 0.000 2.026 240 K HA -0.270 4.050 4.320 -0.001 0.000 0.208 240 K C 2.333 178.353 176.600 -0.968 0.000 1.048 240 K CA 1.863 57.066 56.287 -1.807 0.000 0.929 240 K CB -0.244 31.408 32.500 -1.413 0.000 0.713 240 K HN 0.293 nan 8.250 nan 0.000 0.439 241 K N 0.278 120.288 120.400 -0.650 0.000 2.211 241 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 241 K C 0.323 176.727 176.600 -0.327 0.000 1.047 241 K CA 1.750 57.797 56.287 -0.398 0.000 0.935 241 K CB 0.070 32.382 32.500 -0.313 0.000 0.728 241 K HN 0.173 nan 8.250 nan 0.000 0.452 242 D N 0.787 120.961 120.400 -0.376 0.000 2.336 242 D HA 0.049 4.688 4.640 -0.001 0.000 0.228 242 D C -0.339 175.827 176.300 -0.224 0.000 1.120 242 D CA 0.124 53.971 54.000 -0.254 0.000 0.839 242 D CB 0.164 40.829 40.800 -0.225 0.000 0.932 242 D HN 0.167 nan 8.370 nan 0.000 0.509 243 R N -1.389 118.934 120.500 -0.294 0.000 3.641 243 R HA -0.227 4.112 4.340 -0.001 0.000 0.286 243 R C -0.452 175.868 176.300 0.033 0.000 1.153 243 R CA 0.396 56.423 56.100 -0.120 0.000 0.775 243 R CB -2.439 27.871 30.300 0.017 0.000 1.215 243 R HN 0.336 nan 8.270 nan 0.000 0.474 244 W N -1.714 119.513 121.300 -0.122 0.000 4.141 244 W HA -0.265 4.394 4.660 -0.001 0.000 0.336 244 W C 0.095 176.575 176.519 -0.065 0.000 1.258 244 W CA 0.593 57.877 57.345 -0.101 0.000 0.747 244 W CB -1.441 27.987 29.460 -0.054 0.000 2.338 244 W HN 0.238 nan 8.180 nan 0.000 1.410 245 Q N 1.062 120.883 119.800 0.036 0.000 2.290 245 Q HA 0.430 4.770 4.340 -0.001 0.000 0.259 245 Q C 0.495 176.477 176.000 -0.032 0.000 0.941 245 Q CA -0.153 55.661 55.803 0.018 0.000 0.912 245 Q CB 1.842 30.580 28.738 -0.000 0.000 1.244 245 Q HN 0.367 nan 8.270 nan 0.000 0.441 246 E N 0.554 120.739 120.200 -0.025 0.000 2.378 246 E HA 0.542 4.891 4.350 -0.001 0.000 0.265 246 E C -0.455 176.124 176.600 -0.034 0.000 0.932 246 E CA -0.859 55.514 56.400 -0.046 0.000 0.795 246 E CB 1.162 30.823 29.700 -0.065 0.000 1.296 246 E HN 0.352 nan 8.360 nan 0.000 0.438 247 R N -0.537 119.953 120.500 -0.016 0.000 2.596 247 R HA 0.229 4.569 4.340 -0.001 0.000 0.369 247 R C 0.136 176.458 176.300 0.038 0.000 1.042 247 R CA 0.068 56.166 56.100 -0.003 0.000 1.120 247 R CB 0.065 30.363 30.300 -0.003 0.000 1.353 247 R HN 0.685 nan 8.270 nan 0.000 0.564 248 H N -0.063 118.956 119.070 -0.085 0.000 2.545 248 H HA 0.328 4.884 4.556 -0.001 0.000 0.251 248 H C 0.236 175.504 175.328 -0.100 0.000 0.934 248 H CA -0.042 55.958 56.048 -0.081 0.000 1.116 248 H CB 0.560 30.285 29.762 -0.061 0.000 1.439 248 H HN -0.083 nan 8.280 nan 0.000 0.445 249 I N 3.117 123.515 120.570 -0.286 0.000 2.668 249 I HA -0.017 4.153 4.170 -0.001 0.000 0.285 249 I C -0.188 175.766 176.117 -0.271 0.000 1.168 249 I CA 0.300 61.406 61.300 -0.324 0.000 1.424 249 I CB 0.606 38.427 38.000 -0.299 0.000 1.377 249 I HN 0.202 nan 8.210 nan 0.000 0.560 250 L N 8.035 129.097 121.223 -0.268 0.000 2.305 250 L HA 0.379 4.718 4.340 -0.001 0.000 0.281 250 L C 0.247 176.982 176.870 -0.225 0.000 1.085 250 L CA -0.246 54.456 54.840 -0.230 0.000 0.813 250 L CB 0.380 42.307 42.059 -0.220 0.000 1.157 250 L HN 0.552 nan 8.230 nan 0.000 0.436 251 R N 3.931 124.229 120.500 -0.337 0.000 2.443 251 R HA 0.238 4.578 4.340 -0.001 0.000 0.287 251 R C -1.950 173.976 176.300 -0.624 0.000 1.425 251 R CA -1.530 54.156 56.100 -0.690 0.000 1.300 251 R CB 1.095 30.834 30.300 -0.936 0.000 1.129 251 R HN 0.347 nan 8.270 nan 0.000 0.577 252 P HA -0.214 nan 4.420 nan 0.000 0.217 252 P C 0.693 178.001 177.300 0.012 0.000 1.148 252 P CA 1.230 64.258 63.100 -0.120 0.000 0.828 252 P CB 0.021 31.730 31.700 0.015 0.000 0.783 253 Y N -1.404 118.984 120.300 0.146 0.000 2.333 253 Y HA -0.076 4.473 4.550 -0.001 0.000 0.290 253 Y C 1.877 177.860 175.900 0.139 0.000 1.144 253 Y CA 0.445 58.673 58.100 0.213 0.000 1.228 253 Y CB -2.062 36.458 38.460 0.100 0.000 0.985 253 Y HN -0.136 nan 8.280 nan 0.000 0.542 254 L N 0.446 121.681 121.223 0.021 0.000 2.450 254 L HA -0.109 4.231 4.340 -0.001 0.000 0.224 254 L C 2.472 179.319 176.870 -0.038 0.000 1.149 254 L CA 0.874 55.734 54.840 0.033 0.000 0.816 254 L CB -0.557 41.457 42.059 -0.075 0.000 0.932 254 L HN 0.486 nan 8.230 nan 0.000 0.449 255 A N -1.156 121.572 122.820 -0.154 0.000 2.178 255 A HA 0.081 4.401 4.320 -0.001 0.000 0.211 255 A C 1.200 178.489 177.584 -0.492 0.000 1.157 255 A CA 0.296 52.106 52.037 -0.378 0.000 0.780 255 A CB -0.216 18.434 19.000 -0.584 0.000 0.828 255 A HN 0.373 nan 8.150 nan 0.000 0.476 256 F N -0.697 119.289 119.950 0.059 0.000 2.850 256 F HA 0.169 4.696 4.527 -0.001 0.000 0.306 256 F C 1.210 177.059 175.800 0.082 0.000 1.162 256 F CA -0.323 57.717 58.000 0.066 0.000 1.327 256 F CB 0.139 39.184 39.000 0.075 0.000 0.953 256 F HN 0.248 nan 8.300 nan 0.000 0.507 257 D N 0.606 121.110 120.400 0.174 0.000 2.190 257 D HA -0.223 4.417 4.640 -0.001 0.000 0.200 257 D C 2.318 178.703 176.300 0.141 0.000 0.992 257 D CA 2.009 56.103 54.000 0.157 0.000 0.854 257 D CB 0.338 41.199 40.800 0.102 0.000 0.936 257 D HN 0.263 nan 8.370 nan 0.000 0.462 258 S N -0.531 115.243 115.700 0.123 0.000 2.383 258 S HA -0.116 4.353 4.470 -0.001 0.000 0.227 258 S C 2.154 176.822 174.600 0.113 0.000 1.026 258 S CA 0.685 58.945 58.200 0.100 0.000 0.981 258 S CB -0.552 62.697 63.200 0.080 0.000 0.818 258 S HN 0.371 nan 8.310 nan 0.000 0.472 259 I N 1.395 122.059 120.570 0.157 0.000 2.235 259 I HA 0.072 4.241 4.170 -0.001 0.000 0.241 259 I C 0.661 176.855 176.117 0.129 0.000 1.085 259 I CA 0.594 61.975 61.300 0.135 0.000 1.378 259 I CB -0.302 37.790 38.000 0.152 0.000 1.076 259 I HN 0.203 nan 8.210 nan 0.000 0.415 260 L N 2.247 123.574 121.223 0.173 0.000 2.367 260 L HA 0.228 4.568 4.340 -0.001 0.000 0.275 260 L C -0.370 176.631 176.870 0.217 0.000 1.129 260 L CA -0.416 54.538 54.840 0.190 0.000 0.839 260 L CB 0.624 42.806 42.059 0.205 0.000 1.133 260 L HN 0.451 nan 8.230 nan 0.000 0.453 261 C N -0.106 119.292 119.300 0.163 0.000 3.311 261 C HA 0.260 4.720 4.460 -0.001 0.000 0.325 261 C C 1.084 175.960 174.990 -0.191 0.000 1.352 261 C CA -0.869 58.136 59.018 -0.022 0.000 1.308 261 C CB 1.608 29.334 27.740 -0.023 0.000 1.619 261 C HN 0.950 nan 8.230 nan 0.000 0.469 262 E N 0.733 120.657 120.200 -0.459 0.000 2.267 262 E HA -0.124 4.225 4.350 -0.001 0.000 0.197 262 E C 2.119 178.636 176.600 -0.138 0.000 0.998 262 E CA 1.442 57.629 56.400 -0.355 0.000 0.830 262 E CB -0.054 29.446 29.700 -0.334 0.000 0.751 262 E HN 0.809 nan 8.360 nan 0.000 0.491 263 A N 0.787 123.540 122.820 -0.111 0.000 2.125 263 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 263 A C 1.922 179.454 177.584 -0.087 0.000 1.156 263 A CA 0.816 52.796 52.037 -0.096 0.000 0.671 263 A CB -0.246 18.700 19.000 -0.090 0.000 0.794 263 A HN 0.157 nan 8.150 nan 0.000 0.459 264 L N -0.472 120.747 121.223 -0.007 0.000 2.607 264 L HA 0.087 4.426 4.340 -0.001 0.000 0.228 264 L C 0.511 177.479 176.870 0.163 0.000 1.123 264 L CA -0.306 54.601 54.840 0.113 0.000 0.890 264 L CB -0.139 42.011 42.059 0.151 0.000 1.103 264 L HN 0.416 nan 8.230 nan 0.000 0.468 265 Q N 0.058 119.903 119.800 0.076 0.000 2.421 265 Q HA 0.144 4.484 4.340 -0.001 0.000 0.255 265 Q C -0.452 175.532 176.000 -0.026 0.000 1.013 265 Q CA 0.353 56.194 55.803 0.064 0.000 0.895 265 Q CB 0.755 29.526 28.738 0.055 0.000 1.271 265 Q HN 0.214 nan 8.270 nan 0.000 0.460 266 H N 0.932 120.057 119.070 0.092 0.000 2.621 266 H HA 0.346 4.902 4.556 -0.001 0.000 0.360 266 H C -0.643 174.700 175.328 0.026 0.000 1.163 266 H CA -0.828 55.243 56.048 0.038 0.000 1.194 266 H CB 1.534 31.242 29.762 -0.090 0.000 1.649 266 H HN 0.539 nan 8.280 nan 0.000 0.532 267 N N 1.895 120.685 118.700 0.148 0.000 2.456 267 N HA 0.226 4.965 4.740 -0.001 0.000 0.288 267 N C -0.038 175.504 175.510 0.053 0.000 1.059 267 N CA -0.504 52.591 53.050 0.075 0.000 0.946 267 N CB 1.867 40.387 38.487 0.056 0.000 1.150 267 N HN 0.338 nan 8.380 nan 0.000 0.479 268 L N 2.510 123.742 121.223 0.017 0.000 2.395 268 L HA 0.355 4.695 4.340 -0.001 0.000 0.269 268 L C -1.723 175.154 176.870 0.012 0.000 1.133 268 L CA -1.558 53.280 54.840 -0.002 0.000 0.812 268 L CB 0.202 42.242 42.059 -0.032 0.000 1.125 268 L HN 0.232 nan 8.230 nan 0.000 0.452 269 P HA 0.199 nan 4.420 nan 0.000 0.272 269 P C -2.459 174.879 177.300 0.062 0.000 1.223 269 P CA -1.025 62.094 63.100 0.032 0.000 0.784 269 P CB -0.260 31.457 31.700 0.029 0.000 0.923 270 P HA 0.074 nan 4.420 nan 0.000 0.265 270 P C -1.045 176.342 177.300 0.144 0.000 1.187 270 P CA 0.378 63.521 63.100 0.072 0.000 0.766 270 P CB 0.112 31.830 31.700 0.029 0.000 0.820 271 F N 2.255 122.219 119.950 0.022 0.000 2.499 271 F HA 0.386 4.913 4.527 -0.001 0.000 0.333 271 F C -0.629 175.225 175.800 0.089 0.000 1.138 271 F CA -0.196 57.843 58.000 0.066 0.000 0.945 271 F CB 1.287 40.352 39.000 0.108 0.000 1.181 271 F HN 0.068 nan 8.300 nan 0.000 0.435 272 T N 7.832 122.022 114.554 -0.608 0.000 2.770 272 T HA 0.348 4.698 4.350 -0.001 0.000 0.283 272 T C -2.659 171.602 174.700 -0.733 0.000 0.988 272 T CA -1.339 60.487 62.100 -0.457 0.000 0.957 272 T CB 1.225 69.944 68.868 -0.248 0.000 0.930 272 T HN 0.333 nan 8.240 nan 0.000 0.443 273 P HA 0.171 nan 4.420 nan 0.000 0.262 273 P C -2.635 174.566 177.300 -0.164 0.000 1.199 273 P CA -1.213 61.738 63.100 -0.249 0.000 0.763 273 P CB -0.466 30.992 31.700 -0.404 0.000 0.790 274 P HA 0.080 nan 4.420 nan 0.000 0.263 274 P C -2.184 175.141 177.300 0.041 0.000 1.175 274 P CA -0.430 62.662 63.100 -0.014 0.000 0.761 274 P CB -0.957 30.769 31.700 0.042 0.000 0.794 275 P HA -0.011 nan 4.420 nan 0.000 0.267 275 P C -0.429 176.949 177.300 0.130 0.000 1.200 275 P CA 0.173 63.301 63.100 0.046 0.000 0.772 275 P CB 0.196 31.900 31.700 0.006 0.000 0.855 276 H N 1.305 120.421 119.070 0.076 0.000 2.929 276 H HA 0.263 4.819 4.556 -0.001 0.000 0.317 276 H C 0.406 175.780 175.328 0.076 0.000 1.031 276 H CA 0.379 56.511 56.048 0.142 0.000 1.466 276 H CB 0.062 29.905 29.762 0.136 0.000 1.482 276 H HN 0.408 nan 8.280 nan 0.000 0.561 277 T N 0.684 115.027 114.554 -0.351 0.000 2.797 277 T HA 0.269 4.619 4.350 -0.001 0.000 0.267 277 T C 1.006 175.421 174.700 -0.475 0.000 0.986 277 T CA -0.426 61.465 62.100 -0.348 0.000 0.999 277 T CB 0.815 69.588 68.868 -0.158 0.000 1.508 277 T HN 0.693 nan 8.240 nan 0.000 0.595 278 E N 0.289 120.345 120.200 -0.239 0.000 2.076 278 E HA -0.020 4.329 4.350 -0.001 0.000 0.190 278 E C 1.025 177.556 176.600 -0.115 0.000 0.979 278 E CA 1.011 57.318 56.400 -0.157 0.000 0.807 278 E CB -0.113 29.533 29.700 -0.090 0.000 0.761 278 E HN 0.608 nan 8.360 nan 0.000 0.454 279 D N 0.624 120.957 120.400 -0.111 0.000 2.336 279 D HA 0.045 4.685 4.640 -0.001 0.000 0.229 279 D C -0.419 175.811 176.300 -0.118 0.000 1.061 279 D CA 0.210 54.154 54.000 -0.093 0.000 0.875 279 D CB 0.270 41.022 40.800 -0.080 0.000 0.904 279 D HN -0.135 nan 8.370 nan 0.000 0.525 280 S N 0.171 115.787 115.700 -0.140 0.000 2.505 280 S HA 0.271 4.741 4.470 -0.001 0.000 0.276 280 S C -0.023 174.353 174.600 -0.374 0.000 1.274 280 S CA -0.472 57.578 58.200 -0.250 0.000 1.053 280 S CB 1.351 64.458 63.200 -0.156 0.000 0.919 280 S HN -0.088 nan 8.310 nan 0.000 0.490 281 V N 5.328 124.979 119.914 -0.438 0.000 2.376 281 V HA 0.365 4.484 4.120 -0.001 0.000 0.287 281 V C -1.098 174.725 176.094 -0.452 0.000 1.015 281 V CA -0.681 61.419 62.300 -0.332 0.000 0.834 281 V CB 0.291 32.026 31.823 -0.146 0.000 1.001 281 V HN 0.789 nan 8.190 nan 0.000 0.428 282 Y N 4.959 125.149 120.300 -0.183 0.000 2.419 282 Y HA 0.555 5.104 4.550 -0.001 0.000 0.328 282 Y C -2.001 173.747 175.900 -0.253 0.000 1.162 282 Y CA -3.020 54.838 58.100 -0.403 0.000 1.174 282 Y CB 0.818 39.011 38.460 -0.446 0.000 1.228 282 Y HN 0.434 nan 8.280 nan 0.000 0.473 283 P HA 0.030 nan 4.420 nan 0.000 0.267 283 P C -0.417 176.805 177.300 -0.129 0.000 1.200 283 P CA 0.113 63.160 63.100 -0.088 0.000 0.772 283 P CB 0.513 32.184 31.700 -0.047 0.000 0.855 284 M N 3.830 123.318 119.600 -0.187 0.000 2.232 284 M HA 0.192 4.672 4.480 -0.001 0.000 0.321 284 M C -1.708 174.416 176.300 -0.294 0.000 1.101 284 M CA -1.263 53.892 55.300 -0.241 0.000 1.181 284 M CB -0.068 32.368 32.600 -0.273 0.000 1.432 284 M HN 0.270 nan 8.290 nan 0.000 0.457 285 P HA 0.265 nan 4.420 nan 0.000 0.274 285 P C -1.268 175.824 177.300 -0.347 0.000 1.256 285 P CA -0.088 62.817 63.100 -0.324 0.000 0.795 285 P CB 0.734 32.197 31.700 -0.394 0.000 1.038 286 R N -0.479 119.758 120.500 -0.438 0.000 2.867 286 R HA 0.688 5.028 4.340 -0.001 0.000 0.268 286 R C -1.100 175.245 176.300 0.076 0.000 1.014 286 R CA -1.154 54.797 56.100 -0.248 0.000 0.946 286 R CB 2.065 32.093 30.300 -0.453 0.000 1.208 286 R HN 0.190 nan 8.270 nan 0.000 0.477 287 V N 2.762 122.726 119.914 0.084 0.000 2.604 287 V HA 0.362 4.482 4.120 -0.001 0.000 0.305 287 V C -0.178 176.016 176.094 0.166 0.000 1.043 287 V CA -0.891 61.498 62.300 0.150 0.000 0.888 287 V CB 2.032 33.920 31.823 0.108 0.000 0.995 287 V HN 0.539 nan 8.190 nan 0.000 0.429 288 I N 4.498 125.191 120.570 0.206 0.000 2.436 288 I HA 0.148 4.318 4.170 -0.001 0.000 0.289 288 I C 0.087 176.345 176.117 0.235 0.000 1.083 288 I CA 0.143 61.583 61.300 0.233 0.000 1.372 288 I CB 0.160 38.307 38.000 0.245 0.000 1.408 288 I HN 0.560 nan 8.210 nan 0.000 0.516 289 F N 7.907 127.934 119.950 0.129 0.000 2.538 289 F HA 0.294 4.821 4.527 -0.001 0.000 0.371 289 F C 0.417 176.304 175.800 0.146 0.000 1.087 289 F CA 0.039 58.129 58.000 0.149 0.000 1.250 289 F CB 0.327 39.406 39.000 0.131 0.000 1.110 289 F HN 0.473 nan 8.300 nan 0.000 0.570 290 R N 7.392 127.576 120.500 -0.526 0.000 2.510 290 R HA 0.335 4.675 4.340 -0.001 0.000 0.287 290 R C -0.461 175.421 176.300 -0.696 0.000 1.084 290 R CA -0.309 55.525 56.100 -0.444 0.000 0.934 290 R CB 1.097 31.262 30.300 -0.226 0.000 1.201 290 R HN 0.841 nan 8.270 nan 0.000 0.431 291 M N 0.991 120.171 119.600 -0.700 0.000 2.180 291 M HA 0.496 4.975 4.480 -0.001 0.000 0.289 291 M C -0.972 174.974 176.300 -0.590 0.000 1.089 291 M CA -0.008 54.878 55.300 -0.689 0.000 1.120 291 M CB 0.781 32.982 32.600 -0.665 0.000 1.864 291 M HN 0.170 nan 8.290 nan 0.000 0.636 292 F N 3.114 122.880 119.950 -0.308 0.000 2.425 292 F HA 0.632 5.159 4.527 -0.001 0.000 0.331 292 F C -0.103 175.525 175.800 -0.286 0.000 1.085 292 F CA -1.372 56.520 58.000 -0.180 0.000 1.028 292 F CB 1.104 40.088 39.000 -0.027 0.000 1.177 292 F HN 0.259 nan 8.300 nan 0.000 0.487 293 D N -0.162 120.293 120.400 0.091 0.000 2.636 293 D HA 0.170 4.810 4.640 -0.001 0.000 0.275 293 D C 0.455 176.721 176.300 -0.057 0.000 1.130 293 D CA -0.693 53.337 54.000 0.050 0.000 1.031 293 D CB -0.045 40.837 40.800 0.137 0.000 1.451 293 D HN 0.447 nan 8.370 nan 0.000 0.505 294 Y N -1.327 118.939 120.300 -0.056 0.000 2.384 294 Y HA -0.098 4.452 4.550 -0.001 0.000 0.289 294 Y C 1.958 177.789 175.900 -0.114 0.000 1.152 294 Y CA 1.692 59.728 58.100 -0.108 0.000 1.258 294 Y CB -1.687 36.728 38.460 -0.075 0.000 0.979 294 Y HN 0.407 nan 8.280 nan 0.000 0.549 295 T N -3.286 110.787 114.554 -0.802 0.000 3.035 295 T HA -0.110 4.240 4.350 -0.001 0.000 0.268 295 T C 1.134 175.677 174.700 -0.260 0.000 1.109 295 T CA 1.052 62.840 62.100 -0.520 0.000 1.119 295 T CB -0.426 68.126 68.868 -0.527 0.000 0.900 295 T HN 0.431 nan 8.240 nan 0.000 0.503 296 D N 1.307 121.569 120.400 -0.230 0.000 2.347 296 D HA 0.049 4.689 4.640 -0.001 0.000 0.213 296 D C 0.303 176.403 176.300 -0.334 0.000 0.985 296 D CA 0.711 54.615 54.000 -0.161 0.000 0.879 296 D CB 0.076 40.879 40.800 0.004 0.000 0.919 296 D HN 0.497 nan 8.370 nan 0.000 0.526 297 D N -0.159 119.968 120.400 -0.455 0.000 2.772 297 D HA 0.096 4.735 4.640 -0.001 0.000 0.326 297 D C -1.834 174.330 176.300 -0.227 0.000 1.207 297 D CA -1.479 52.239 54.000 -0.471 0.000 0.777 297 D CB 1.027 41.265 40.800 -0.936 0.000 1.169 297 D HN -0.120 nan 8.370 nan 0.000 0.506 298 P HA -0.036 nan 4.420 nan 0.000 0.230 298 P C 0.430 177.709 177.300 -0.034 0.000 1.158 298 P CA 0.711 63.771 63.100 -0.067 0.000 0.769 298 P CB 0.501 32.165 31.700 -0.059 0.000 0.807 299 E N -0.601 119.574 120.200 -0.043 0.000 2.526 299 E HA 0.209 4.559 4.350 -0.001 0.000 0.208 299 E C 1.212 177.797 176.600 -0.025 0.000 0.997 299 E CA -0.327 56.059 56.400 -0.023 0.000 0.961 299 E CB 0.548 30.240 29.700 -0.013 0.000 1.030 299 E HN 0.197 nan 8.360 nan 0.000 0.483 300 G N 2.293 111.064 108.800 -0.049 0.000 2.531 300 G HA2 0.303 4.263 3.960 -0.001 0.000 0.281 300 G HA3 0.303 4.263 3.960 -0.001 0.000 0.281 300 G C -2.371 172.510 174.900 -0.032 0.000 1.382 300 G CA -0.975 44.100 45.100 -0.042 0.000 1.045 300 G HN -0.104 nan 8.290 nan 0.000 0.533 301 P HA 0.189 nan 4.420 nan 0.000 0.271 301 P C 0.009 177.299 177.300 -0.016 0.000 1.216 301 P CA -0.313 62.782 63.100 -0.008 0.000 0.771 301 P CB 1.030 32.737 31.700 0.012 0.000 0.864 302 V N 4.771 124.677 119.914 -0.012 0.000 2.539 302 V HA -0.117 4.002 4.120 -0.001 0.000 0.300 302 V C 1.384 177.481 176.094 0.006 0.000 1.019 302 V CA 0.370 62.664 62.300 -0.009 0.000 1.160 302 V CB -0.679 31.116 31.823 -0.046 0.000 0.901 302 V HN 0.651 nan 8.190 nan 0.000 0.481 303 M N 8.515 128.125 119.600 0.018 0.000 2.252 303 M HA 0.190 4.669 4.480 -0.001 0.000 0.348 303 M C -2.106 174.238 176.300 0.073 0.000 1.334 303 M CA -1.087 54.237 55.300 0.040 0.000 1.071 303 M CB 0.710 33.300 32.600 -0.017 0.000 1.763 303 M HN 0.391 nan 8.290 nan 0.000 0.452 304 P HA 0.074 nan 4.420 nan 0.000 0.264 304 P C -0.344 177.003 177.300 0.077 0.000 1.193 304 P CA 0.050 63.188 63.100 0.064 0.000 0.763 304 P CB 0.339 32.067 31.700 0.048 0.000 0.810 305 G N 1.713 110.533 108.800 0.034 0.000 2.606 305 G HA2 0.072 4.032 3.960 -0.001 0.000 0.252 305 G HA3 0.072 4.032 3.960 -0.001 0.000 0.252 305 G C 1.118 176.047 174.900 0.049 0.000 1.206 305 G CA -0.378 44.743 45.100 0.036 0.000 0.861 305 G HN 0.393 nan 8.290 nan 0.000 0.561 306 S N -0.432 115.275 115.700 0.012 0.000 2.402 306 S HA -0.149 4.320 4.470 -0.001 0.000 0.233 306 S C 1.404 176.080 174.600 0.126 0.000 1.030 306 S CA 1.328 59.535 58.200 0.011 0.000 1.003 306 S CB -0.281 62.843 63.200 -0.128 0.000 0.813 306 S HN 0.692 nan 8.310 nan 0.000 0.477 307 H N 0.543 119.619 119.070 0.011 0.000 2.507 307 H HA 0.273 4.829 4.556 -0.001 0.000 0.294 307 H C 0.291 175.582 175.328 -0.061 0.000 1.064 307 H CA -0.495 55.537 56.048 -0.027 0.000 1.138 307 H CB 0.278 30.008 29.762 -0.053 0.000 1.515 307 H HN 0.290 nan 8.280 nan 0.000 0.547 308 S N 0.158 115.905 115.700 0.079 0.000 2.617 308 S HA 0.126 4.596 4.470 -0.001 0.000 0.283 308 S C 1.541 176.155 174.600 0.022 0.000 1.189 308 S CA -0.601 57.603 58.200 0.007 0.000 1.036 308 S CB 1.911 65.111 63.200 -0.001 0.000 1.014 308 S HN 0.165 nan 8.310 nan 0.000 0.522 309 V N -0.768 119.129 119.914 -0.028 0.000 2.871 309 V HA 0.012 4.132 4.120 -0.001 0.000 0.256 309 V C 1.861 177.990 176.094 0.058 0.000 1.082 309 V CA 1.263 63.571 62.300 0.013 0.000 1.105 309 V CB -1.403 30.376 31.823 -0.073 0.000 0.713 309 V HN 0.805 nan 8.190 nan 0.000 0.473 310 E N 1.067 121.267 120.200 -0.000 0.000 2.051 310 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 310 E C 2.305 178.845 176.600 -0.100 0.000 0.991 310 E CA 1.688 58.061 56.400 -0.046 0.000 0.799 310 E CB -0.414 29.255 29.700 -0.051 0.000 0.748 310 E HN 0.526 nan 8.360 nan 0.000 0.449 311 R N -0.033 120.452 120.500 -0.024 0.000 2.091 311 R HA -0.142 4.197 4.340 -0.001 0.000 0.238 311 R C 2.006 178.340 176.300 0.056 0.000 1.136 311 R CA 1.344 57.440 56.100 -0.007 0.000 0.959 311 R CB -0.767 29.589 30.300 0.093 0.000 0.856 311 R HN 0.269 nan 8.270 nan 0.000 0.437 312 F N -0.191 119.769 119.950 0.017 0.000 2.075 312 F HA -0.175 4.351 4.527 -0.001 0.000 0.297 312 F C 1.872 177.737 175.800 0.109 0.000 1.113 312 F CA 1.751 59.804 58.000 0.088 0.000 1.218 312 F CB -0.530 38.523 39.000 0.089 0.000 0.984 312 F HN -0.136 nan 8.300 nan 0.000 0.472 313 V N 1.013 120.988 119.914 0.101 0.000 2.295 313 V HA -0.318 3.802 4.120 -0.001 0.000 0.246 313 V C 2.454 178.561 176.094 0.022 0.000 1.049 313 V CA 2.195 64.542 62.300 0.079 0.000 1.024 313 V CB -0.732 31.155 31.823 0.107 0.000 0.648 313 V HN 0.402 nan 8.190 nan 0.000 0.447 314 I N -0.027 120.454 120.570 -0.149 0.000 2.151 314 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 314 I C 2.604 178.564 176.117 -0.263 0.000 1.080 314 I CA 1.919 63.067 61.300 -0.254 0.000 1.339 314 I CB -0.441 37.222 38.000 -0.560 0.000 1.039 314 I HN 0.393 nan 8.210 nan 0.000 0.409 315 E N 0.170 120.252 120.200 -0.197 0.000 2.072 315 E HA -0.270 4.079 4.350 -0.001 0.000 0.191 315 E C 2.026 178.588 176.600 -0.063 0.000 0.985 315 E CA 1.241 57.554 56.400 -0.144 0.000 0.801 315 E CB -0.105 29.597 29.700 0.002 0.000 0.750 315 E HN 0.410 nan 8.360 nan 0.000 0.452 316 E N 1.555 121.698 120.200 -0.094 0.000 2.058 316 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 316 E C 1.760 178.404 176.600 0.074 0.000 0.997 316 E CA 1.518 57.914 56.400 -0.007 0.000 0.801 316 E CB -0.081 29.496 29.700 -0.205 0.000 0.746 316 E HN 0.079 nan 8.360 nan 0.000 0.450 317 N N 0.074 118.798 118.700 0.041 0.000 2.120 317 N HA -0.115 4.625 4.740 -0.001 0.000 0.188 317 N C 1.892 177.337 175.510 -0.109 0.000 1.024 317 N CA 1.214 54.293 53.050 0.048 0.000 0.852 317 N CB -0.295 38.306 38.487 0.189 0.000 1.003 317 N HN 0.250 nan 8.380 nan 0.000 0.424 318 L N 0.292 121.335 121.223 -0.300 0.000 2.046 318 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 318 L C 2.244 179.031 176.870 -0.138 0.000 1.077 318 L CA 1.081 55.734 54.840 -0.310 0.000 0.747 318 L CB -0.571 41.254 42.059 -0.391 0.000 0.896 318 L HN 0.314 nan 8.230 nan 0.000 0.432 319 H N -0.832 118.227 119.070 -0.018 0.000 2.353 319 H HA -0.157 4.399 4.556 -0.001 0.000 0.300 319 H C 2.471 177.854 175.328 0.092 0.000 1.090 319 H CA 1.797 57.875 56.048 0.050 0.000 1.327 319 H CB -0.330 29.460 29.762 0.047 0.000 1.383 319 H HN 0.433 nan 8.280 nan 0.000 0.508 320 C N 0.524 119.937 119.300 0.187 0.000 2.425 320 C HA -0.077 4.383 4.460 -0.001 0.000 0.277 320 C C 3.015 178.081 174.990 0.127 0.000 1.280 320 C CA 0.270 59.365 59.018 0.128 0.000 1.744 320 C CB -1.057 26.705 27.740 0.036 0.000 1.989 320 C HN 0.431 nan 8.230 nan 0.000 0.491 321 I N 0.732 121.378 120.570 0.127 0.000 2.179 321 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 321 I C 2.293 178.551 176.117 0.234 0.000 1.088 321 I CA 1.744 63.162 61.300 0.196 0.000 1.357 321 I CB -0.352 37.739 38.000 0.151 0.000 1.051 321 I HN 0.294 nan 8.210 nan 0.000 0.409 322 I N 0.805 121.486 120.570 0.185 0.000 2.264 322 I HA -0.341 3.829 4.170 -0.001 0.000 0.248 322 I C 2.626 178.877 176.117 0.224 0.000 1.111 322 I CA 1.459 62.878 61.300 0.197 0.000 1.382 322 I CB -0.410 37.723 38.000 0.221 0.000 1.060 322 I HN 0.232 nan 8.210 nan 0.000 0.418 323 K N 0.804 121.375 120.400 0.285 0.000 2.097 323 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 323 K C 2.087 178.847 176.600 0.267 0.000 1.049 323 K CA 1.775 58.265 56.287 0.339 0.000 0.933 323 K CB -0.001 32.671 32.500 0.287 0.000 0.717 323 K HN 0.145 nan 8.250 nan 0.000 0.442 324 S N -0.239 115.502 115.700 0.069 0.000 2.461 324 S HA -0.019 4.450 4.470 -0.001 0.000 0.228 324 S C 0.730 175.046 174.600 -0.473 0.000 1.005 324 S CA 0.451 58.520 58.200 -0.218 0.000 0.942 324 S CB -0.051 62.909 63.200 -0.400 0.000 0.776 324 S HN 0.441 nan 8.310 nan 0.000 0.514 325 H N -0.637 118.460 119.070 0.045 0.000 2.767 325 H HA 0.099 4.655 4.556 -0.001 0.000 0.260 325 H C 1.249 176.508 175.328 -0.115 0.000 1.172 325 H CA -0.281 55.733 56.048 -0.058 0.000 1.048 325 H CB -0.240 29.509 29.762 -0.022 0.000 1.697 325 H HN 0.592 nan 8.280 nan 0.000 0.606 326 W N 2.238 123.451 121.300 -0.145 0.000 2.350 326 W HA -0.117 4.543 4.660 -0.001 0.000 0.289 326 W C 0.870 177.275 176.519 -0.191 0.000 1.215 326 W CA 0.428 57.597 57.345 -0.293 0.000 1.236 326 W CB -0.592 28.424 29.460 -0.739 0.000 1.130 326 W HN 0.004 nan 8.180 nan 0.000 0.541 327 K N 0.553 120.418 120.400 -0.892 0.000 2.211 327 K HA -0.096 4.224 4.320 -0.001 0.000 0.203 327 K C 0.405 176.804 176.600 -0.333 0.000 1.050 327 K CA 1.104 56.909 56.287 -0.803 0.000 0.945 327 K CB -0.098 31.842 32.500 -0.934 0.000 0.732 327 K HN -0.034 nan 8.250 nan 0.000 0.451 328 E N 1.195 121.266 120.200 -0.214 0.000 2.173 328 E HA 0.039 4.388 4.350 -0.001 0.000 0.249 328 E C 0.377 176.943 176.600 -0.057 0.000 0.923 328 E CA -0.153 56.183 56.400 -0.107 0.000 0.754 328 E CB 1.077 30.734 29.700 -0.072 0.000 1.177 328 E HN 0.269 nan 8.360 nan 0.000 0.430 329 R N 1.296 121.767 120.500 -0.048 0.000 2.127 329 R HA -0.173 4.167 4.340 -0.001 0.000 0.238 329 R C 0.763 177.051 176.300 -0.020 0.000 1.134 329 R CA 1.155 57.240 56.100 -0.023 0.000 0.975 329 R CB -0.160 30.133 30.300 -0.012 0.000 0.865 329 R HN -0.013 nan 8.270 nan 0.000 0.447 330 K N 0.738 121.122 120.400 -0.026 0.000 2.062 330 K HA 0.028 4.347 4.320 -0.001 0.000 0.205 330 K C 2.153 178.727 176.600 -0.043 0.000 1.051 330 K CA 2.010 58.281 56.287 -0.025 0.000 0.941 330 K CB -0.511 31.974 32.500 -0.024 0.000 0.719 330 K HN 0.147 nan 8.250 nan 0.000 0.440 331 T N 0.310 114.830 114.554 -0.057 0.000 2.777 331 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 331 T C 2.026 176.628 174.700 -0.163 0.000 1.040 331 T CA 1.231 63.265 62.100 -0.110 0.000 1.141 331 T CB -0.618 68.197 68.868 -0.088 0.000 0.868 331 T HN 0.357 nan 8.240 nan 0.000 0.444 332 C N 1.700 120.957 119.300 -0.073 0.000 2.413 332 C HA 0.013 4.473 4.460 -0.001 0.000 0.276 332 C C 3.144 178.113 174.990 -0.036 0.000 1.236 332 C CA 0.893 59.895 59.018 -0.026 0.000 1.735 332 C CB -1.417 26.345 27.740 0.037 0.000 2.031 332 C HN 0.608 nan 8.230 nan 0.000 0.474 333 A N 0.092 122.897 122.820 -0.025 0.000 1.902 333 A HA 0.092 4.412 4.320 -0.001 0.000 0.217 333 A C 2.433 180.006 177.584 -0.018 0.000 1.181 333 A CA 2.240 54.271 52.037 -0.010 0.000 0.623 333 A CB -1.091 17.910 19.000 0.002 0.000 0.818 333 A HN 0.818 nan 8.150 nan 0.000 0.443 334 A N -1.208 121.587 122.820 -0.042 0.000 1.902 334 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 334 A C 2.115 179.672 177.584 -0.044 0.000 1.181 334 A CA 1.604 53.617 52.037 -0.041 0.000 0.623 334 A CB -0.431 18.535 19.000 -0.056 0.000 0.818 334 A HN 0.481 nan 8.150 nan 0.000 0.443 335 Q N -0.294 119.447 119.800 -0.099 0.000 2.119 335 Q HA -0.042 4.298 4.340 -0.001 0.000 0.201 335 Q C 2.140 178.160 176.000 0.033 0.000 0.972 335 Q CA 1.092 56.847 55.803 -0.079 0.000 0.847 335 Q CB -0.433 28.159 28.738 -0.244 0.000 0.903 335 Q HN 0.725 nan 8.270 nan 0.000 0.433 336 L N -0.440 120.798 121.223 0.024 0.000 2.056 336 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 336 L C 2.333 179.259 176.870 0.092 0.000 1.078 336 L CA 0.659 55.529 54.840 0.050 0.000 0.749 336 L CB -0.394 41.673 42.059 0.013 0.000 0.901 336 L HN -0.013 nan 8.230 nan 0.000 0.433 337 V N -0.525 119.427 119.914 0.062 0.000 2.667 337 V HA -0.171 3.949 4.120 -0.001 0.000 0.252 337 V C 2.239 178.384 176.094 0.085 0.000 1.065 337 V CA 1.779 64.120 62.300 0.069 0.000 1.083 337 V CB -0.270 31.576 31.823 0.039 0.000 0.692 337 V HN 0.602 nan 8.190 nan 0.000 0.468 338 S N -1.760 113.989 115.700 0.081 0.000 2.577 338 S HA 0.093 4.563 4.470 -0.001 0.000 0.219 338 S C 0.558 175.220 174.600 0.103 0.000 0.962 338 S CA -0.410 57.830 58.200 0.068 0.000 0.921 338 S CB -0.564 62.655 63.200 0.031 0.000 0.789 338 S HN 0.503 nan 8.310 nan 0.000 0.497 339 Y N 5.673 125.993 120.300 0.034 0.000 2.804 339 Y HA 0.257 4.807 4.550 -0.001 0.000 0.338 339 Y C -2.058 173.879 175.900 0.061 0.000 1.252 339 Y CA -2.258 55.875 58.100 0.055 0.000 1.576 339 Y CB 0.129 38.632 38.460 0.072 0.000 1.223 339 Y HN 0.247 nan 8.280 nan 0.000 0.536 340 P HA 0.613 nan 4.420 nan 0.000 0.281 340 P C -0.772 176.167 177.300 -0.601 0.000 1.264 340 P CA -0.448 62.413 63.100 -0.399 0.000 0.824 340 P CB 2.204 33.747 31.700 -0.261 0.000 1.092 341 G N 0.022 108.621 108.800 -0.334 0.000 2.720 341 G HA2 0.232 4.192 3.960 -0.001 0.000 0.295 341 G HA3 0.232 4.192 3.960 -0.001 0.000 0.295 341 G C 0.251 175.028 174.900 -0.206 0.000 1.437 341 G CA -0.556 44.343 45.100 -0.335 0.000 0.886 341 G HN 0.489 nan 8.290 nan 0.000 0.509 342 K N -0.351 119.907 120.400 -0.237 0.000 2.103 342 K HA -0.054 4.266 4.320 -0.001 0.000 0.207 342 K C 0.564 177.126 176.600 -0.063 0.000 1.048 342 K CA 1.228 57.430 56.287 -0.141 0.000 0.930 342 K CB -0.045 32.372 32.500 -0.138 0.000 0.716 342 K HN 0.487 nan 8.250 nan 0.000 0.444 343 N N -0.051 118.646 118.700 -0.005 0.000 2.629 343 N HA 0.095 4.834 4.740 -0.001 0.000 0.279 343 N C -1.480 174.058 175.510 0.046 0.000 1.344 343 N CA -0.640 52.419 53.050 0.015 0.000 0.789 343 N CB 1.516 40.014 38.487 0.018 0.000 1.508 343 N HN -0.048 nan 8.380 nan 0.000 0.516 344 K N 1.573 121.995 120.400 0.036 0.000 2.379 344 K HA 0.281 4.601 4.320 -0.001 0.000 0.284 344 K C -0.408 176.238 176.600 0.076 0.000 1.044 344 K CA 0.043 56.360 56.287 0.050 0.000 0.974 344 K CB 0.057 32.575 32.500 0.030 0.000 0.962 344 K HN 0.519 nan 8.250 nan 0.000 0.474 345 I N 1.503 122.142 120.570 0.115 0.000 2.934 345 I HA 0.477 4.646 4.170 -0.001 0.000 0.306 345 I C -2.401 173.817 176.117 0.169 0.000 1.110 345 I CA -2.818 58.583 61.300 0.170 0.000 1.019 345 I CB 2.257 40.394 38.000 0.229 0.000 1.227 345 I HN 0.446 nan 8.210 nan 0.000 0.434 346 P HA 0.082 nan 4.420 nan 0.000 0.230 346 P C 0.780 178.147 177.300 0.112 0.000 1.791 346 P CA -0.250 62.879 63.100 0.048 0.000 1.020 346 P CB 0.581 32.184 31.700 -0.162 0.000 1.977 347 L N 2.679 124.033 121.223 0.218 0.000 2.034 347 L HA -0.258 4.082 4.340 -0.001 0.000 0.217 347 L C 1.849 178.811 176.870 0.153 0.000 1.077 347 L CA 2.071 57.066 54.840 0.258 0.000 0.769 347 L CB -1.125 41.066 42.059 0.220 0.000 0.890 347 L HN 0.093 nan 8.230 nan 0.000 0.435 348 N N -1.344 117.403 118.700 0.078 0.000 2.104 348 N HA -0.241 4.499 4.740 -0.001 0.000 0.190 348 N C 1.835 177.275 175.510 -0.117 0.000 1.024 348 N CA 1.877 54.909 53.050 -0.031 0.000 0.853 348 N CB -0.521 37.903 38.487 -0.104 0.000 1.008 348 N HN 0.493 nan 8.380 nan 0.000 0.424 349 Y N 0.911 121.096 120.300 -0.192 0.000 2.181 349 Y HA -0.114 4.436 4.550 -0.001 0.000 0.288 349 Y C 2.564 178.437 175.900 -0.045 0.000 1.146 349 Y CA 1.221 59.120 58.100 -0.335 0.000 1.164 349 Y CB -0.505 37.508 38.460 -0.744 0.000 0.982 349 Y HN 0.272 nan 8.280 nan 0.000 0.515 350 H N -0.497 118.691 119.070 0.196 0.000 2.353 350 H HA -0.134 4.422 4.556 -0.001 0.000 0.300 350 H C 2.422 177.789 175.328 0.064 0.000 1.090 350 H CA 1.781 57.913 56.048 0.139 0.000 1.327 350 H CB -0.548 29.250 29.762 0.060 0.000 1.383 350 H HN 0.355 nan 8.280 nan 0.000 0.508 351 I N 0.072 120.725 120.570 0.139 0.000 2.142 351 I HA -0.237 3.932 4.170 -0.001 0.000 0.240 351 I C 2.549 178.660 176.117 -0.009 0.000 1.078 351 I CA 0.929 62.244 61.300 0.025 0.000 1.343 351 I CB -0.284 37.722 38.000 0.011 0.000 1.046 351 I HN 0.005 nan 8.210 nan 0.000 0.405 352 V N 0.605 120.542 119.914 0.038 0.000 2.343 352 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 352 V C 2.463 178.619 176.094 0.104 0.000 1.051 352 V CA 2.057 64.364 62.300 0.012 0.000 1.036 352 V CB -0.585 31.319 31.823 0.134 0.000 0.654 352 V HN 0.466 nan 8.190 nan 0.000 0.451 353 E N -0.146 120.246 120.200 0.321 0.000 2.077 353 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 353 E C 2.199 178.893 176.600 0.157 0.000 0.989 353 E CA 1.467 58.072 56.400 0.342 0.000 0.800 353 E CB -0.007 29.969 29.700 0.459 0.000 0.746 353 E HN 0.401 nan 8.360 nan 0.000 0.452 354 V N 0.992 120.920 119.914 0.023 0.000 2.515 354 V HA -0.236 3.883 4.120 -0.001 0.000 0.250 354 V C 2.227 178.179 176.094 -0.238 0.000 1.058 354 V CA 1.396 63.595 62.300 -0.169 0.000 1.064 354 V CB -0.284 31.317 31.823 -0.370 0.000 0.675 354 V HN 0.346 nan 8.190 nan 0.000 0.461 355 I N -1.220 119.177 120.570 -0.289 0.000 2.252 355 I HA -0.194 3.976 4.170 -0.001 0.000 0.245 355 I C 2.206 177.868 176.117 -0.759 0.000 1.102 355 I CA 1.564 62.595 61.300 -0.447 0.000 1.385 355 I CB -0.281 37.442 38.000 -0.462 0.000 1.064 355 I HN 0.226 nan 8.210 nan 0.000 0.414 356 F N 0.866 120.444 119.950 -0.620 0.000 2.234 356 F HA -0.107 4.419 4.527 -0.001 0.000 0.299 356 F C 2.561 177.592 175.800 -1.282 0.000 1.087 356 F CA 0.957 58.364 58.000 -0.988 0.000 1.340 356 F CB -1.059 37.560 39.000 -0.635 0.000 1.031 356 F HN -0.005 nan 8.300 nan 0.000 0.500 357 A N 0.024 122.280 122.820 -0.939 0.000 1.908 357 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 357 A C 2.209 179.524 177.584 -0.448 0.000 1.181 357 A CA 1.911 53.485 52.037 -0.773 0.000 0.627 357 A CB -0.670 18.314 19.000 -0.026 0.000 0.818 357 A HN 0.424 nan 8.150 nan 0.000 0.445 358 E N -0.852 119.105 120.200 -0.405 0.000 2.028 358 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 358 E C 2.012 178.202 176.600 -0.683 0.000 0.988 358 E CA 1.169 57.308 56.400 -0.434 0.000 0.799 358 E CB -0.333 29.165 29.700 -0.336 0.000 0.755 358 E HN 0.490 nan 8.360 nan 0.000 0.447 359 L N 0.439 121.017 121.223 -1.075 0.000 2.079 359 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 359 L C 1.634 178.167 176.870 -0.561 0.000 1.081 359 L CA 1.678 55.941 54.840 -0.961 0.000 0.752 359 L CB -0.229 41.158 42.059 -1.121 0.000 0.896 359 L HN -0.004 nan 8.230 nan 0.000 0.433 360 F N -0.673 119.040 119.950 -0.396 0.000 2.765 360 F HA 0.269 4.796 4.527 -0.001 0.000 0.302 360 F C 1.234 176.879 175.800 -0.258 0.000 1.111 360 F CA -0.649 57.161 58.000 -0.317 0.000 1.359 360 F CB -1.123 37.636 39.000 -0.401 0.000 1.097 360 F HN 0.181 nan 8.300 nan 0.000 0.577 361 Q N 1.842 121.565 119.800 -0.129 0.000 2.315 361 Q HA 0.199 4.538 4.340 -0.001 0.000 0.289 361 Q C -0.859 175.101 176.000 -0.067 0.000 1.044 361 Q CA 0.272 56.015 55.803 -0.100 0.000 0.920 361 Q CB 0.576 29.225 28.738 -0.150 0.000 1.214 361 Q HN 0.330 nan 8.270 nan 0.000 0.392 362 L N 6.621 127.811 121.223 -0.056 0.000 2.334 362 L HA 0.374 4.714 4.340 -0.001 0.000 0.276 362 L C -1.502 175.325 176.870 -0.072 0.000 1.014 362 L CA -2.047 52.763 54.840 -0.050 0.000 0.815 362 L CB 1.625 43.659 42.059 -0.041 0.000 1.268 362 L HN 0.706 nan 8.230 nan 0.000 0.428 363 P HA -0.006 nan 4.420 nan 0.000 0.220 363 P C 0.010 177.303 177.300 -0.012 0.000 1.152 363 P CA 0.685 63.774 63.100 -0.018 0.000 0.812 363 P CB 0.586 32.300 31.700 0.022 0.000 0.792 364 A N -0.704 122.098 122.820 -0.029 0.000 2.539 364 A HA 0.680 4.999 4.320 -0.001 0.000 0.296 364 A C -3.020 174.520 177.584 -0.072 0.000 1.073 364 A CA -1.876 50.142 52.037 -0.032 0.000 0.700 364 A CB 0.753 19.751 19.000 -0.003 0.000 1.296 364 A HN -0.187 nan 8.150 nan 0.000 0.405 365 P HA 0.251 nan 4.420 nan 0.000 0.270 365 P C -1.981 175.240 177.300 -0.131 0.000 1.223 365 P CA -0.898 62.148 63.100 -0.091 0.000 0.785 365 P CB 0.221 31.932 31.700 0.017 0.000 0.923 366 P HA -0.109 nan 4.420 nan 0.000 0.220 366 P C 0.001 176.830 177.300 -0.785 0.000 1.148 366 P CA 1.707 64.487 63.100 -0.532 0.000 0.803 366 P CB 0.027 31.309 31.700 -0.698 0.000 0.782 367 H N -2.434 116.586 119.070 -0.084 0.000 2.894 367 H HA 0.285 4.841 4.556 -0.001 0.000 0.368 367 H C 0.066 175.313 175.328 -0.134 0.000 1.181 367 H CA -1.540 54.320 56.048 -0.312 0.000 1.146 367 H CB 0.930 30.382 29.762 -0.516 0.000 1.839 367 H HN -0.149 nan 8.280 nan 0.000 0.557 368 I N 1.841 122.385 120.570 -0.044 0.000 2.826 368 I HA -0.213 3.957 4.170 -0.001 0.000 0.295 368 I C 0.448 176.616 176.117 0.085 0.000 1.213 368 I CA 0.170 61.491 61.300 0.035 0.000 1.436 368 I CB 0.339 38.373 38.000 0.057 0.000 1.348 368 I HN 0.488 nan 8.210 nan 0.000 0.570 369 D N 5.286 125.793 120.400 0.179 0.000 2.133 369 D HA -0.212 4.428 4.640 -0.001 0.000 0.195 369 D C 1.925 178.400 176.300 0.293 0.000 0.997 369 D CA 1.321 55.502 54.000 0.301 0.000 0.840 369 D CB -0.161 40.782 40.800 0.238 0.000 0.947 369 D HN 0.494 nan 8.370 nan 0.000 0.452 370 V N 0.795 120.836 119.914 0.212 0.000 2.594 370 V HA -0.224 3.896 4.120 -0.001 0.000 0.253 370 V C 2.044 178.232 176.094 0.157 0.000 1.069 370 V CA 1.313 63.754 62.300 0.235 0.000 1.082 370 V CB -0.298 31.650 31.823 0.208 0.000 0.680 370 V HN 0.229 nan 8.190 nan 0.000 0.469 371 M N -0.504 119.107 119.600 0.018 0.000 2.108 371 M HA -0.228 4.251 4.480 -0.001 0.000 0.261 371 M C 2.127 178.347 176.300 -0.134 0.000 1.066 371 M CA 2.285 57.524 55.300 -0.102 0.000 1.107 371 M CB -0.873 31.592 32.600 -0.226 0.000 1.356 371 M HN 0.550 nan 8.290 nan 0.000 0.406 372 Y N 0.419 120.758 120.300 0.065 0.000 2.224 372 Y HA -0.139 4.411 4.550 -0.001 0.000 0.289 372 Y C 2.570 178.488 175.900 0.030 0.000 1.146 372 Y CA 1.977 60.058 58.100 -0.031 0.000 1.182 372 Y CB -1.465 36.899 38.460 -0.160 0.000 0.983 372 Y HN 0.286 nan 8.280 nan 0.000 0.524 373 T N -0.906 113.840 114.554 0.320 0.000 2.708 373 T HA -0.198 4.152 4.350 -0.001 0.000 0.266 373 T C 2.102 176.954 174.700 0.253 0.000 1.037 373 T CA 2.188 64.548 62.100 0.434 0.000 1.146 373 T CB -0.668 68.453 68.868 0.422 0.000 0.865 373 T HN 0.603 nan 8.240 nan 0.000 0.435 374 T N 0.771 115.409 114.554 0.141 0.000 2.951 374 T HA 0.042 4.391 4.350 -0.001 0.000 0.268 374 T C 1.965 176.714 174.700 0.081 0.000 1.073 374 T CA 0.558 62.706 62.100 0.080 0.000 1.134 374 T CB -0.485 68.412 68.868 0.048 0.000 0.884 374 T HN 0.150 nan 8.240 nan 0.000 0.479 375 L N 0.893 122.158 121.223 0.069 0.000 2.046 375 L HA 0.228 4.568 4.340 -0.001 0.000 0.208 375 L C 2.334 179.245 176.870 0.068 0.000 1.077 375 L CA 1.482 56.349 54.840 0.046 0.000 0.747 375 L CB -0.837 41.233 42.059 0.019 0.000 0.896 375 L HN 0.298 nan 8.230 nan 0.000 0.432 376 L N -1.031 120.250 121.223 0.098 0.000 2.083 376 L HA -0.226 4.114 4.340 -0.001 0.000 0.209 376 L C 2.484 179.481 176.870 0.211 0.000 1.083 376 L CA 1.322 56.233 54.840 0.118 0.000 0.752 376 L CB -0.439 41.698 42.059 0.130 0.000 0.899 376 L HN 0.285 nan 8.230 nan 0.000 0.433 377 I N -0.715 120.010 120.570 0.258 0.000 2.226 377 I HA -0.230 3.940 4.170 -0.001 0.000 0.245 377 I C 2.563 178.781 176.117 0.168 0.000 1.100 377 I CA 0.953 62.418 61.300 0.275 0.000 1.374 377 I CB -0.287 37.825 38.000 0.186 0.000 1.057 377 I HN 0.241 nan 8.210 nan 0.000 0.413 378 E N 0.846 121.107 120.200 0.102 0.000 2.077 378 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 378 E C 2.353 178.993 176.600 0.066 0.000 0.989 378 E CA 1.204 57.642 56.400 0.064 0.000 0.800 378 E CB -0.376 29.345 29.700 0.035 0.000 0.746 378 E HN 0.486 nan 8.360 nan 0.000 0.452 379 L N 0.093 121.356 121.223 0.067 0.000 2.046 379 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 379 L C 2.730 179.639 176.870 0.067 0.000 1.077 379 L CA 0.997 55.868 54.840 0.052 0.000 0.747 379 L CB -0.442 41.637 42.059 0.033 0.000 0.896 379 L HN 0.170 nan 8.230 nan 0.000 0.432 380 C N -0.025 119.339 119.300 0.107 0.000 2.425 380 C HA -0.159 4.301 4.460 -0.001 0.000 0.277 380 C C 2.771 177.823 174.990 0.103 0.000 1.280 380 C CA 0.809 59.895 59.018 0.113 0.000 1.744 380 C CB -0.725 27.119 27.740 0.174 0.000 1.989 380 C HN 0.441 nan 8.230 nan 0.000 0.491 381 K N 0.090 120.556 120.400 0.110 0.000 2.148 381 K HA -0.107 4.213 4.320 -0.001 0.000 0.204 381 K C 1.802 178.434 176.600 0.052 0.000 1.050 381 K CA 0.916 57.252 56.287 0.081 0.000 0.942 381 K CB -0.274 32.266 32.500 0.067 0.000 0.724 381 K HN 0.295 nan 8.250 nan 0.000 0.446 382 L N 0.824 122.074 121.223 0.045 0.000 2.131 382 L HA -0.059 4.281 4.340 -0.001 0.000 0.206 382 L C 0.464 177.351 176.870 0.029 0.000 1.087 382 L CA 1.643 56.501 54.840 0.031 0.000 0.767 382 L CB 0.234 42.307 42.059 0.025 0.000 0.917 382 L HN 0.064 nan 8.230 nan 0.000 0.441 383 Q N -0.612 119.207 119.800 0.032 0.000 2.943 383 Q HA 0.267 4.607 4.340 -0.001 0.000 0.327 383 Q C -1.888 174.128 176.000 0.026 0.000 0.937 383 Q CA -1.518 54.300 55.803 0.025 0.000 0.914 383 Q CB 0.857 29.607 28.738 0.020 0.000 1.339 383 Q HN 0.248 nan 8.270 nan 0.000 0.417 384 P HA -0.093 nan 4.420 nan 0.000 0.222 384 P C 1.211 178.524 177.300 0.022 0.000 1.147 384 P CA 1.052 64.172 63.100 0.033 0.000 0.790 384 P CB 0.285 32.007 31.700 0.036 0.000 0.780 385 G N -1.046 107.765 108.800 0.017 0.000 2.939 385 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.210 385 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.210 385 G C 1.159 176.064 174.900 0.009 0.000 1.160 385 G CA 0.788 45.895 45.100 0.013 0.000 0.770 385 G HN 0.427 nan 8.290 nan 0.000 0.543 386 S N -1.377 114.326 115.700 0.006 0.000 2.918 386 S HA 0.196 4.665 4.470 -0.001 0.000 0.264 386 S C 1.706 176.288 174.600 -0.029 0.000 1.078 386 S CA -0.058 58.139 58.200 -0.004 0.000 0.918 386 S CB -0.175 63.028 63.200 0.004 0.000 0.882 386 S HN 0.035 nan 8.310 nan 0.000 0.466 387 L N 3.060 124.270 121.223 -0.022 0.000 2.072 387 L HA 0.291 4.630 4.340 -0.001 0.000 0.205 387 L C -1.250 175.606 176.870 -0.023 0.000 1.079 387 L CA 1.606 56.423 54.840 -0.037 0.000 0.752 387 L CB -1.985 40.069 42.059 -0.008 0.000 0.906 387 L HN 0.149 nan 8.230 nan 0.000 0.436 388 P HA -0.182 nan 4.420 nan 0.000 0.215 388 P C 1.434 178.748 177.300 0.024 0.000 1.153 388 P CA 1.426 64.534 63.100 0.014 0.000 0.853 388 P CB 0.126 31.821 31.700 -0.008 0.000 0.788 389 Q N -0.760 119.040 119.800 0.001 0.000 2.061 389 Q HA -0.119 4.221 4.340 -0.001 0.000 0.204 389 Q C 2.127 178.127 176.000 0.000 0.000 0.984 389 Q CA 1.455 57.263 55.803 0.008 0.000 0.846 389 Q CB -1.487 27.251 28.738 -0.000 0.000 0.902 389 Q HN 0.101 nan 8.270 nan 0.000 0.421 390 V N 0.445 120.299 119.914 -0.100 0.000 2.295 390 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 390 V C 2.049 178.139 176.094 -0.007 0.000 1.049 390 V CA 1.474 63.626 62.300 -0.248 0.000 1.024 390 V CB -0.628 30.838 31.823 -0.595 0.000 0.648 390 V HN 0.301 nan 8.190 nan 0.000 0.447 391 L N 0.993 122.254 121.223 0.063 0.000 2.046 391 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 391 L C 2.438 179.490 176.870 0.304 0.000 1.077 391 L CA 2.327 57.290 54.840 0.205 0.000 0.747 391 L CB -1.010 41.155 42.059 0.176 0.000 0.896 391 L HN 0.228 nan 8.230 nan 0.000 0.432 392 A N -1.186 121.791 122.820 0.262 0.000 1.930 392 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 392 A C 2.317 180.108 177.584 0.344 0.000 1.175 392 A CA 1.704 53.957 52.037 0.360 0.000 0.627 392 A CB -0.648 18.497 19.000 0.242 0.000 0.815 392 A HN 0.660 nan 8.150 nan 0.000 0.443 393 Q N -0.506 119.443 119.800 0.248 0.000 2.079 393 Q HA -0.100 4.240 4.340 -0.001 0.000 0.200 393 Q C 2.174 178.367 176.000 0.322 0.000 0.974 393 Q CA 1.471 57.430 55.803 0.260 0.000 0.840 393 Q CB -0.340 28.531 28.738 0.221 0.000 0.898 393 Q HN 0.585 nan 8.270 nan 0.000 0.430 394 A N 0.055 123.088 122.820 0.355 0.000 1.933 394 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 394 A C 2.196 179.868 177.584 0.147 0.000 1.175 394 A CA 1.916 54.129 52.037 0.294 0.000 0.628 394 A CB -0.924 18.318 19.000 0.404 0.000 0.814 394 A HN 0.494 nan 8.150 nan 0.000 0.444 395 T N -0.448 114.282 114.554 0.293 0.000 2.777 395 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 395 T C 1.903 176.865 174.700 0.437 0.000 1.040 395 T CA 1.686 63.993 62.100 0.346 0.000 1.141 395 T CB -0.225 68.905 68.868 0.437 0.000 0.868 395 T HN 0.680 nan 8.240 nan 0.000 0.444 396 E N 1.347 121.859 120.200 0.520 0.000 2.085 396 E HA -0.115 4.235 4.350 -0.001 0.000 0.194 396 E C 2.068 178.871 176.600 0.340 0.000 0.994 396 E CA 1.481 58.223 56.400 0.571 0.000 0.801 396 E CB -0.396 29.569 29.700 0.442 0.000 0.743 396 E HN 0.506 nan 8.360 nan 0.000 0.453 397 M N -0.337 119.378 119.600 0.191 0.000 2.132 397 M HA -0.082 4.397 4.480 -0.001 0.000 0.263 397 M C 2.282 178.537 176.300 -0.075 0.000 1.065 397 M CA 1.185 56.508 55.300 0.038 0.000 1.122 397 M CB -0.259 32.344 32.600 0.004 0.000 1.365 397 M HN 0.137 nan 8.290 nan 0.000 0.411 398 L N -1.239 119.913 121.223 -0.118 0.000 2.017 398 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 398 L C 2.649 179.443 176.870 -0.126 0.000 1.073 398 L CA 1.536 56.213 54.840 -0.272 0.000 0.745 398 L CB -0.910 40.636 42.059 -0.856 0.000 0.894 398 L HN 0.267 nan 8.230 nan 0.000 0.432 399 Y N 0.200 120.412 120.300 -0.147 0.000 2.128 399 Y HA -0.296 4.254 4.550 -0.001 0.000 0.284 399 Y C 2.604 178.301 175.900 -0.339 0.000 1.154 399 Y CA 1.645 59.471 58.100 -0.457 0.000 1.149 399 Y CB -0.056 37.810 38.460 -0.990 0.000 0.976 399 Y HN 0.049 nan 8.280 nan 0.000 0.505 400 M N 0.229 119.736 119.600 -0.155 0.000 2.549 400 M HA -0.091 4.389 4.480 -0.001 0.000 0.260 400 M C 1.243 177.391 176.300 -0.252 0.000 1.076 400 M CA 1.488 56.683 55.300 -0.176 0.000 1.090 400 M CB -0.730 31.880 32.600 0.017 0.000 1.418 400 M HN 0.325 nan 8.290 nan 0.000 0.486 401 R N -0.911 119.435 120.500 -0.256 0.000 2.468 401 R HA 0.263 4.602 4.340 -0.001 0.000 0.280 401 R C 1.713 177.971 176.300 -0.069 0.000 0.963 401 R CA -0.211 55.735 56.100 -0.257 0.000 1.083 401 R CB 0.191 30.175 30.300 -0.527 0.000 1.200 401 R HN 0.266 nan 8.270 nan 0.000 0.541 402 L N 0.914 122.032 121.223 -0.176 0.000 2.127 402 L HA -0.238 4.102 4.340 -0.001 0.000 0.211 402 L C 1.382 178.205 176.870 -0.080 0.000 1.089 402 L CA 1.241 55.992 54.840 -0.149 0.000 0.757 402 L CB -0.274 41.560 42.059 -0.375 0.000 0.899 402 L HN 0.228 nan 8.230 nan 0.000 0.434 403 D N -0.431 119.910 120.400 -0.099 0.000 2.172 403 D HA -0.187 4.452 4.640 -0.001 0.000 0.196 403 D C 1.793 178.095 176.300 0.003 0.000 0.999 403 D CA 2.141 56.110 54.000 -0.052 0.000 0.856 403 D CB -0.071 40.694 40.800 -0.059 0.000 0.934 403 D HN 0.442 nan 8.370 nan 0.000 0.453 404 T N -2.765 111.826 114.554 0.062 0.000 3.182 404 T HA 0.253 4.603 4.350 -0.001 0.000 0.277 404 T C 0.610 175.373 174.700 0.105 0.000 1.013 404 T CA -0.452 61.701 62.100 0.088 0.000 0.900 404 T CB 0.086 69.011 68.868 0.095 0.000 1.098 404 T HN -0.085 nan 8.240 nan 0.000 0.543 405 M N 3.079 122.714 119.600 0.058 0.000 2.228 405 M HA 0.213 4.692 4.480 -0.001 0.000 0.351 405 M C 0.356 176.517 176.300 -0.231 0.000 1.233 405 M CA -0.273 54.871 55.300 -0.260 0.000 1.129 405 M CB 0.544 32.949 32.600 -0.325 0.000 1.604 405 M HN 0.217 nan 8.290 nan 0.000 0.457 406 N N 2.863 121.383 118.700 -0.300 0.000 2.458 406 N HA -0.037 4.703 4.740 -0.001 0.000 0.258 406 N C 0.296 175.695 175.510 -0.186 0.000 1.219 406 N CA 0.349 53.275 53.050 -0.207 0.000 0.902 406 N CB 1.022 39.391 38.487 -0.196 0.000 1.076 406 N HN 0.736 nan 8.380 nan 0.000 0.455 407 T N 2.553 117.017 114.554 -0.150 0.000 2.699 407 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 407 T C 1.624 176.261 174.700 -0.105 0.000 1.036 407 T CA 1.910 63.931 62.100 -0.133 0.000 1.147 407 T CB -0.236 68.517 68.868 -0.192 0.000 0.862 407 T HN 0.617 nan 8.240 nan 0.000 0.446 408 T N 1.047 115.532 114.554 -0.116 0.000 2.746 408 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 408 T C 2.280 176.971 174.700 -0.016 0.000 1.039 408 T CA 1.372 63.427 62.100 -0.075 0.000 1.142 408 T CB -0.585 68.234 68.868 -0.080 0.000 0.866 408 T HN 0.513 nan 8.240 nan 0.000 0.444 409 C N 0.869 120.124 119.300 -0.073 0.000 2.450 409 C HA 0.063 4.523 4.460 -0.001 0.000 0.279 409 C C 2.790 177.775 174.990 -0.008 0.000 1.335 409 C CA -0.169 58.806 59.018 -0.071 0.000 1.749 409 C CB -1.175 26.312 27.740 -0.422 0.000 1.963 409 C HN 0.350 nan 8.230 nan 0.000 0.501 410 V N 1.633 121.535 119.914 -0.019 0.000 2.343 410 V HA -0.205 3.915 4.120 -0.001 0.000 0.247 410 V C 2.109 178.371 176.094 0.281 0.000 1.051 410 V CA 2.257 64.647 62.300 0.150 0.000 1.036 410 V CB -0.742 31.137 31.823 0.093 0.000 0.654 410 V HN 0.423 nan 8.190 nan 0.000 0.451 411 D N 0.109 120.621 120.400 0.187 0.000 2.104 411 D HA -0.160 4.479 4.640 -0.001 0.000 0.194 411 D C 2.426 178.909 176.300 0.306 0.000 0.994 411 D CA 1.342 55.465 54.000 0.206 0.000 0.830 411 D CB -0.276 40.601 40.800 0.128 0.000 0.959 411 D HN 0.392 nan 8.370 nan 0.000 0.452 412 R N -0.491 120.217 120.500 0.346 0.000 2.096 412 R HA -0.108 4.231 4.340 -0.001 0.000 0.235 412 R C 2.223 178.946 176.300 0.706 0.000 1.127 412 R CA 0.653 57.020 56.100 0.445 0.000 0.968 412 R CB -0.423 30.112 30.300 0.393 0.000 0.861 412 R HN 0.176 nan 8.270 nan 0.000 0.440 413 F N 1.899 122.238 119.950 0.648 0.000 2.102 413 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 413 F C 1.945 178.212 175.800 0.778 0.000 1.105 413 F CA 1.079 59.549 58.000 0.784 0.000 1.239 413 F CB -0.623 38.666 39.000 0.482 0.000 0.991 413 F HN -0.132 nan 8.300 nan 0.000 0.474 414 I N 0.468 121.391 120.570 0.588 0.000 2.163 414 I HA -0.384 3.786 4.170 -0.001 0.000 0.243 414 I C 2.222 178.515 176.117 0.293 0.000 1.085 414 I CA 1.561 63.014 61.300 0.255 0.000 1.347 414 I CB -0.607 37.475 38.000 0.137 0.000 1.044 414 I HN 0.131 nan 8.210 nan 0.000 0.408 415 N N -0.249 118.664 118.700 0.354 0.000 2.188 415 N HA -0.219 4.521 4.740 -0.001 0.000 0.184 415 N C 1.466 177.213 175.510 0.396 0.000 1.018 415 N CA 1.202 54.437 53.050 0.309 0.000 0.858 415 N CB -0.413 38.241 38.487 0.278 0.000 0.989 415 N HN 0.501 nan 8.380 nan 0.000 0.426 416 W N 1.296 122.841 121.300 0.410 0.000 2.378 416 W HA -0.112 4.548 4.660 -0.001 0.000 0.313 416 W C 2.124 178.944 176.519 0.501 0.000 1.197 416 W CA 0.827 58.441 57.345 0.449 0.000 1.304 416 W CB -0.954 28.795 29.460 0.481 0.000 1.148 416 W HN -0.033 nan 8.180 nan 0.000 0.494 417 F N 2.261 122.120 119.950 -0.152 0.000 2.134 417 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 417 F C 2.793 178.410 175.800 -0.304 0.000 1.097 417 F CA 2.533 60.162 58.000 -0.619 0.000 1.264 417 F CB -1.034 37.910 39.000 -0.093 0.000 1.001 417 F HN 0.016 nan 8.300 nan 0.000 0.479 418 S N -1.222 114.381 115.700 -0.163 0.000 2.368 418 S HA -0.306 4.163 4.470 -0.001 0.000 0.225 418 S C 2.209 176.769 174.600 -0.066 0.000 1.030 418 S CA 1.596 59.718 58.200 -0.129 0.000 0.999 418 S CB -1.423 61.798 63.200 0.035 0.000 0.844 418 S HN 0.714 nan 8.310 nan 0.000 0.459 419 H N 0.336 119.334 119.070 -0.120 0.000 2.353 419 H HA -0.178 4.378 4.556 -0.001 0.000 0.300 419 H C 2.403 177.622 175.328 -0.181 0.000 1.090 419 H CA 1.704 57.697 56.048 -0.092 0.000 1.327 419 H CB -0.237 29.538 29.762 0.022 0.000 1.383 419 H HN 0.664 nan 8.280 nan 0.000 0.508 420 H N 0.514 119.370 119.070 -0.357 0.000 2.319 420 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 420 H C 2.427 177.606 175.328 -0.249 0.000 1.092 420 H CA 1.900 57.739 56.048 -0.349 0.000 1.302 420 H CB -0.341 29.049 29.762 -0.620 0.000 1.373 420 H HN 0.289 nan 8.280 nan 0.000 0.497 421 L N 0.091 121.039 121.223 -0.458 0.000 2.079 421 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 421 L C 2.661 179.096 176.870 -0.726 0.000 1.081 421 L CA 1.496 56.049 54.840 -0.479 0.000 0.752 421 L CB -0.617 41.166 42.059 -0.459 0.000 0.896 421 L HN 0.496 nan 8.230 nan 0.000 0.433 422 S N -1.207 113.990 115.700 -0.839 0.000 2.474 422 S HA -0.111 4.359 4.470 -0.001 0.000 0.235 422 S C 1.475 175.635 174.600 -0.733 0.000 0.997 422 S CA 0.757 58.226 58.200 -1.218 0.000 0.949 422 S CB -0.328 62.573 63.200 -0.498 0.000 0.766 422 S HN 0.465 nan 8.310 nan 0.000 0.517 423 N N -0.074 118.254 118.700 -0.621 0.000 2.280 423 N HA 0.209 4.949 4.740 -0.001 0.000 0.192 423 N C -0.877 173.978 175.510 -1.091 0.000 1.109 423 N CA 0.332 52.933 53.050 -0.747 0.000 0.855 423 N CB 0.248 38.268 38.487 -0.778 0.000 0.974 423 N HN 0.453 nan 8.380 nan 0.000 0.482 424 F N 0.670 120.361 119.950 -0.430 0.000 2.619 424 F HA 0.263 4.790 4.527 -0.001 0.000 0.382 424 F C 0.235 175.906 175.800 -0.215 0.000 1.466 424 F CA -0.453 57.376 58.000 -0.285 0.000 1.137 424 F CB 0.147 38.979 39.000 -0.280 0.000 1.205 424 F HN -0.203 nan 8.300 nan 0.000 0.525 425 Q N -0.830 118.872 119.800 -0.164 0.000 2.461 425 Q HA -0.287 4.053 4.340 -0.001 0.000 0.264 425 Q C -0.118 175.957 176.000 0.125 0.000 1.085 425 Q CA 0.853 56.640 55.803 -0.026 0.000 1.006 425 Q CB -2.015 26.755 28.738 0.053 0.000 1.437 425 Q HN 0.558 nan 8.270 nan 0.000 0.514 426 F N -1.957 118.013 119.950 0.032 0.000 3.093 426 F HA -0.290 4.236 4.527 -0.001 0.000 0.287 426 F C 0.654 176.526 175.800 0.120 0.000 0.882 426 F CA 1.387 59.419 58.000 0.054 0.000 1.063 426 F CB -1.336 37.703 39.000 0.065 0.000 1.097 426 F HN 0.190 nan 8.300 nan 0.000 0.604 427 R N 0.690 121.312 120.500 0.203 0.000 2.216 427 R HA 0.362 4.701 4.340 -0.001 0.000 0.332 427 R C -0.226 176.180 176.300 0.175 0.000 1.056 427 R CA -0.011 56.193 56.100 0.172 0.000 0.901 427 R CB 0.910 31.275 30.300 0.109 0.000 1.039 427 R HN 0.440 nan 8.270 nan 0.000 0.456 428 W N 1.893 123.059 121.300 -0.223 0.000 3.167 428 W HA 0.142 4.802 4.660 -0.001 0.000 0.324 428 W C -0.750 175.380 176.519 -0.648 0.000 1.230 428 W CA -0.835 56.166 57.345 -0.574 0.000 1.184 428 W CB 2.212 31.015 29.460 -1.096 0.000 1.414 428 W HN 0.519 nan 8.180 nan 0.000 0.551 429 S N 2.005 116.744 115.700 -1.602 0.000 3.940 429 S HA 0.057 4.527 4.470 -0.001 0.000 0.210 429 S C 0.432 174.385 174.600 -1.078 0.000 1.419 429 S CA -0.644 56.905 58.200 -1.086 0.000 0.912 429 S CB -0.593 62.057 63.200 -0.916 0.000 1.489 429 S HN 0.510 nan 8.310 nan 0.000 0.469 430 W N 2.411 123.361 121.300 -0.584 0.000 2.331 430 W HA -0.183 4.477 4.660 -0.001 0.000 0.291 430 W C 2.448 178.723 176.519 -0.407 0.000 1.214 430 W CA 0.985 57.978 57.345 -0.587 0.000 1.228 430 W CB -0.239 28.673 29.460 -0.912 0.000 1.135 430 W HN 0.648 nan 8.180 nan 0.000 0.537 431 E N 0.407 120.579 120.200 -0.046 0.000 2.219 431 E HA -0.250 4.099 4.350 -0.001 0.000 0.198 431 E C 1.046 177.719 176.600 0.121 0.000 0.998 431 E CA 1.815 58.297 56.400 0.137 0.000 0.818 431 E CB -0.922 28.814 29.700 0.060 0.000 0.741 431 E HN 0.293 nan 8.360 nan 0.000 0.477 432 D N -0.094 120.251 120.400 -0.091 0.000 2.263 432 D HA -0.140 4.500 4.640 -0.001 0.000 0.208 432 D C 0.601 177.099 176.300 0.330 0.000 0.971 432 D CA 0.795 54.789 54.000 -0.010 0.000 0.867 432 D CB -0.243 40.396 40.800 -0.268 0.000 0.929 432 D HN 0.405 nan 8.370 nan 0.000 0.492 433 W N 0.723 122.116 121.300 0.155 0.000 3.067 433 W HA 0.296 4.956 4.660 -0.001 0.000 0.417 433 W C 1.365 178.166 176.519 0.471 0.000 1.029 433 W CA -0.907 56.539 57.345 0.170 0.000 1.992 433 W CB -0.835 28.558 29.460 -0.111 0.000 1.122 433 W HN -0.172 nan 8.180 nan 0.000 0.681 434 S N 0.855 116.917 115.700 0.603 0.000 2.469 434 S HA -0.195 4.274 4.470 -0.001 0.000 0.238 434 S C 1.620 176.371 174.600 0.251 0.000 0.998 434 S CA 1.801 60.235 58.200 0.391 0.000 0.957 434 S CB -0.141 63.233 63.200 0.290 0.000 0.764 434 S HN 0.403 nan 8.310 nan 0.000 0.514 435 D N 1.484 122.069 120.400 0.309 0.000 2.309 435 D HA -0.122 4.517 4.640 -0.001 0.000 0.212 435 D C 2.056 178.483 176.300 0.211 0.000 0.968 435 D CA 1.116 55.254 54.000 0.231 0.000 0.882 435 D CB -1.191 39.750 40.800 0.235 0.000 0.918 435 D HN 0.622 nan 8.370 nan 0.000 0.503 436 C N -0.429 119.046 119.300 0.293 0.000 2.448 436 C HA 0.223 4.682 4.460 -0.001 0.000 0.280 436 C C 2.718 177.768 174.990 0.100 0.000 1.398 436 C CA -0.365 58.794 59.018 0.235 0.000 1.774 436 C CB -1.619 26.352 27.740 0.385 0.000 1.888 436 C HN 0.262 nan 8.230 nan 0.000 0.519 437 L N 2.651 123.880 121.223 0.010 0.000 2.083 437 L HA -0.082 4.257 4.340 -0.001 0.000 0.209 437 L C 2.880 179.741 176.870 -0.016 0.000 1.083 437 L CA 2.028 56.819 54.840 -0.082 0.000 0.752 437 L CB -0.588 41.361 42.059 -0.182 0.000 0.899 437 L HN 0.627 nan 8.230 nan 0.000 0.433 438 S N -2.139 113.573 115.700 0.020 0.000 2.575 438 S HA 0.088 4.558 4.470 -0.001 0.000 0.215 438 S C 0.752 175.375 174.600 0.038 0.000 0.966 438 S CA -0.457 57.759 58.200 0.027 0.000 0.911 438 S CB -0.009 63.211 63.200 0.033 0.000 0.780 438 S HN 0.374 nan 8.310 nan 0.000 0.514 439 Q N 1.604 121.434 119.800 0.049 0.000 2.256 439 Q HA 0.248 4.588 4.340 -0.001 0.000 0.232 439 Q C -0.653 175.381 176.000 0.056 0.000 0.965 439 Q CA -0.807 55.029 55.803 0.054 0.000 0.908 439 Q CB 0.364 29.140 28.738 0.064 0.000 1.209 439 Q HN 0.265 nan 8.270 nan 0.000 0.489 440 D N 1.307 121.742 120.400 0.058 0.000 2.520 440 D HA -0.031 4.608 4.640 -0.001 0.000 0.243 440 D C -1.793 174.553 176.300 0.077 0.000 1.160 440 D CA -1.297 52.742 54.000 0.066 0.000 0.877 440 D CB 0.956 41.798 40.800 0.070 0.000 1.150 440 D HN 0.177 nan 8.370 nan 0.000 0.494 441 P HA -0.128 nan 4.420 nan 0.000 0.220 441 P C 0.517 177.881 177.300 0.106 0.000 1.144 441 P CA 1.106 64.260 63.100 0.091 0.000 0.800 441 P CB 0.207 31.958 31.700 0.086 0.000 0.772 442 E N -1.201 119.064 120.200 0.109 0.000 2.481 442 E HA 0.049 4.399 4.350 -0.001 0.000 0.195 442 E C 0.370 177.034 176.600 0.107 0.000 1.047 442 E CA 0.014 56.487 56.400 0.123 0.000 0.867 442 E CB -0.064 29.723 29.700 0.144 0.000 0.858 442 E HN 0.200 nan 8.360 nan 0.000 0.513 443 S N 1.744 117.499 115.700 0.093 0.000 2.579 443 S HA 0.015 4.484 4.470 -0.001 0.000 0.275 443 S C -1.670 172.970 174.600 0.067 0.000 1.345 443 S CA -1.142 57.101 58.200 0.071 0.000 1.031 443 S CB 0.810 64.045 63.200 0.058 0.000 0.892 443 S HN -0.024 nan 8.310 nan 0.000 0.529 444 P HA -0.159 nan 4.420 nan 0.000 0.216 444 P C 1.065 178.386 177.300 0.034 0.000 1.157 444 P CA 1.422 64.535 63.100 0.023 0.000 0.880 444 P CB 0.159 31.837 31.700 -0.036 0.000 0.791 445 K N -0.657 119.723 120.400 -0.032 0.000 1.973 445 K HA -0.101 4.218 4.320 -0.001 0.000 0.212 445 K C -0.412 176.346 176.600 0.263 0.000 1.047 445 K CA 2.167 58.444 56.287 -0.016 0.000 0.937 445 K CB -1.978 30.438 32.500 -0.141 0.000 0.721 445 K HN 0.291 nan 8.250 nan 0.000 0.440 446 P HA -0.183 nan 4.420 nan 0.000 0.218 446 P C 1.017 178.454 177.300 0.228 0.000 1.149 446 P CA 1.414 64.660 63.100 0.243 0.000 0.817 446 P CB 0.110 31.903 31.700 0.155 0.000 0.785 447 K N -0.489 120.028 120.400 0.195 0.000 2.057 447 K HA -0.151 4.169 4.320 -0.001 0.000 0.206 447 K C 2.116 178.839 176.600 0.205 0.000 1.050 447 K CA 0.998 57.391 56.287 0.177 0.000 0.935 447 K CB -0.777 31.811 32.500 0.147 0.000 0.715 447 K HN -0.083 nan 8.250 nan 0.000 0.439 448 F N 1.038 121.041 119.950 0.088 0.000 2.095 448 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 448 F C 1.659 177.561 175.800 0.169 0.000 1.104 448 F CA 1.517 59.557 58.000 0.067 0.000 1.232 448 F CB -0.444 38.535 39.000 -0.035 0.000 0.987 448 F HN -0.170 nan 8.300 nan 0.000 0.475 449 V N 1.315 121.416 119.914 0.312 0.000 2.287 449 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 449 V C 2.583 178.759 176.094 0.138 0.000 1.053 449 V CA 2.338 64.834 62.300 0.325 0.000 1.027 449 V CB -0.746 31.445 31.823 0.614 0.000 0.646 449 V HN 0.319 nan 8.190 nan 0.000 0.447 450 R N -0.305 120.275 120.500 0.134 0.000 2.081 450 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 450 R C 2.338 178.666 176.300 0.046 0.000 1.131 450 R CA 1.417 57.568 56.100 0.085 0.000 0.960 450 R CB -0.319 30.044 30.300 0.107 0.000 0.856 450 R HN 0.567 nan 8.270 nan 0.000 0.436 451 E N 0.390 120.608 120.200 0.030 0.000 2.106 451 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 451 E C 2.200 178.779 176.600 -0.034 0.000 0.984 451 E CA 0.929 57.342 56.400 0.021 0.000 0.806 451 E CB -0.168 29.554 29.700 0.037 0.000 0.750 451 E HN 0.120 nan 8.360 nan 0.000 0.458 452 V N 1.842 121.666 119.914 -0.150 0.000 2.295 452 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 452 V C 2.529 178.628 176.094 0.008 0.000 1.049 452 V CA 1.431 63.669 62.300 -0.105 0.000 1.024 452 V CB -0.494 31.247 31.823 -0.136 0.000 0.648 452 V HN 0.211 nan 8.190 nan 0.000 0.447 453 L N -0.399 120.820 121.223 -0.006 0.000 2.131 453 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 453 L C 2.545 179.387 176.870 -0.047 0.000 1.092 453 L CA 1.724 56.528 54.840 -0.059 0.000 0.759 453 L CB -0.515 41.464 42.059 -0.133 0.000 0.903 453 L HN 0.434 nan 8.230 nan 0.000 0.435 454 E N 0.113 120.310 120.200 -0.006 0.000 2.072 454 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 454 E C 2.133 178.745 176.600 0.021 0.000 0.985 454 E CA 0.886 57.297 56.400 0.018 0.000 0.801 454 E CB 0.276 30.014 29.700 0.063 0.000 0.750 454 E HN 0.242 nan 8.360 nan 0.000 0.452 455 K N 0.260 120.681 120.400 0.035 0.000 2.057 455 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 455 K C 2.266 178.895 176.600 0.048 0.000 1.050 455 K CA 0.966 57.283 56.287 0.050 0.000 0.935 455 K CB -0.734 31.805 32.500 0.066 0.000 0.715 455 K HN 0.301 nan 8.250 nan 0.000 0.439 456 C N 1.212 120.540 119.300 0.046 0.000 2.413 456 C HA -0.090 4.369 4.460 -0.001 0.000 0.276 456 C C 2.808 177.714 174.990 -0.139 0.000 1.248 456 C CA 0.678 59.725 59.018 0.048 0.000 1.742 456 C CB -0.717 26.992 27.740 -0.051 0.000 2.017 456 C HN 0.511 nan 8.230 nan 0.000 0.481 457 M N 0.334 119.846 119.600 -0.146 0.000 2.159 457 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 457 M C 2.403 178.627 176.300 -0.127 0.000 1.063 457 M CA 1.628 56.832 55.300 -0.160 0.000 1.110 457 M CB -0.353 32.187 32.600 -0.100 0.000 1.374 457 M HN 0.354 nan 8.290 nan 0.000 0.411 458 R N -0.085 120.378 120.500 -0.062 0.000 2.237 458 R HA -0.032 4.308 4.340 -0.001 0.000 0.219 458 R C 1.311 177.569 176.300 -0.070 0.000 1.080 458 R CA 0.779 56.851 56.100 -0.045 0.000 0.995 458 R CB -0.152 30.157 30.300 0.014 0.000 0.875 458 R HN 0.428 nan 8.270 nan 0.000 0.462 459 L N -0.402 120.799 121.223 -0.038 0.000 2.769 459 L HA 0.185 4.524 4.340 -0.001 0.000 0.240 459 L C 0.597 177.437 176.870 -0.051 0.000 1.163 459 L CA -0.185 54.655 54.840 0.000 0.000 0.962 459 L CB 0.636 42.782 42.059 0.144 0.000 1.258 459 L HN -0.002 nan 8.230 nan 0.000 0.513 460 S N -1.751 113.801 115.700 -0.246 0.000 3.888 460 S HA 0.530 5.000 4.470 -0.001 0.000 0.307 460 S C -1.772 172.410 174.600 -0.697 0.000 1.122 460 S CA -0.358 57.574 58.200 -0.447 0.000 1.197 460 S CB 0.698 63.677 63.200 -0.369 0.000 1.533 460 S HN -0.021 nan 8.310 nan 0.000 0.696 461 Y N 1.097 121.323 120.300 -0.122 0.000 2.545 461 Y HA 0.491 5.040 4.550 -0.001 0.000 0.348 461 Y C 1.264 177.108 175.900 -0.092 0.000 1.002 461 Y CA -0.684 57.366 58.100 -0.083 0.000 1.039 461 Y CB 0.844 39.268 38.460 -0.060 0.000 1.271 461 Y HN 0.825 nan 8.280 nan 0.000 0.467 462 H N 0.959 120.044 119.070 0.025 0.000 2.290 462 H HA -0.216 4.340 4.556 -0.001 0.000 0.298 462 H C 1.692 176.998 175.328 -0.037 0.000 1.087 462 H CA 2.848 58.873 56.048 -0.037 0.000 1.291 462 H CB 0.334 30.071 29.762 -0.042 0.000 1.369 462 H HN 0.829 nan 8.280 nan 0.000 0.492 463 Q N 0.601 120.402 119.800 0.001 0.000 2.167 463 Q HA -0.089 4.250 4.340 -0.001 0.000 0.202 463 Q C 2.514 178.448 176.000 -0.111 0.000 0.970 463 Q CA 0.953 56.715 55.803 -0.069 0.000 0.855 463 Q CB -0.229 28.523 28.738 0.025 0.000 0.911 463 Q HN 0.163 nan 8.270 nan 0.000 0.438 464 R N 0.120 120.583 120.500 -0.063 0.000 2.083 464 R HA -0.098 4.241 4.340 -0.001 0.000 0.237 464 R C 1.827 178.026 176.300 -0.168 0.000 1.137 464 R CA 1.384 57.443 56.100 -0.068 0.000 0.951 464 R CB -0.556 29.761 30.300 0.029 0.000 0.851 464 R HN 0.360 nan 8.270 nan 0.000 0.434 465 I N 0.939 121.356 120.570 -0.254 0.000 2.353 465 I HA -0.221 3.949 4.170 -0.001 0.000 0.248 465 I C 2.357 178.306 176.117 -0.279 0.000 1.119 465 I CA 0.516 61.625 61.300 -0.317 0.000 1.417 465 I CB -1.307 36.483 38.000 -0.350 0.000 1.078 465 I HN 0.125 nan 8.210 nan 0.000 0.421 466 L N 1.257 122.290 121.223 -0.317 0.000 2.081 466 L HA -0.227 4.112 4.340 -0.001 0.000 0.212 466 L C 1.795 178.567 176.870 -0.164 0.000 1.080 466 L CA 1.973 56.654 54.840 -0.266 0.000 0.754 466 L CB -0.921 40.952 42.059 -0.309 0.000 0.893 466 L HN 0.202 nan 8.230 nan 0.000 0.433 467 D N -1.033 119.287 120.400 -0.134 0.000 2.323 467 D HA -0.019 4.621 4.640 -0.001 0.000 0.209 467 D C 2.157 178.427 176.300 -0.050 0.000 0.973 467 D CA 1.142 55.098 54.000 -0.074 0.000 0.874 467 D CB 0.068 40.839 40.800 -0.049 0.000 0.930 467 D HN 0.640 nan 8.370 nan 0.000 0.521 468 I N -1.229 119.299 120.570 -0.071 0.000 2.928 468 I HA -0.019 4.151 4.170 -0.001 0.000 0.266 468 I C 0.788 176.904 176.117 -0.002 0.000 1.234 468 I CA 0.038 61.349 61.300 0.019 0.000 1.483 468 I CB -0.040 38.014 38.000 0.089 0.000 1.097 468 I HN -0.249 nan 8.210 nan 0.000 0.455 469 V N -1.121 118.682 119.914 -0.184 0.000 2.837 469 V HA 0.653 4.773 4.120 -0.001 0.000 0.310 469 V C -2.532 173.513 176.094 -0.081 0.000 1.059 469 V CA -2.130 59.974 62.300 -0.327 0.000 1.004 469 V CB 0.375 31.887 31.823 -0.518 0.000 1.045 469 V HN -0.043 nan 8.190 nan 0.000 0.465 470 P HA 0.320 nan 4.420 nan 0.000 0.272 470 P C -2.279 175.111 177.300 0.150 0.000 1.223 470 P CA -1.472 61.694 63.100 0.109 0.000 0.784 470 P CB -0.079 31.743 31.700 0.204 0.000 0.923 471 P HA -0.210 nan 4.420 nan 0.000 0.217 471 P C 1.288 178.656 177.300 0.112 0.000 1.148 471 P CA 1.905 65.058 63.100 0.087 0.000 0.834 471 P CB -0.667 31.072 31.700 0.065 0.000 0.783 472 T N -4.726 109.929 114.554 0.168 0.000 2.962 472 T HA -0.102 4.248 4.350 -0.001 0.000 0.270 472 T C 1.224 175.939 174.700 0.024 0.000 1.088 472 T CA 0.969 63.130 62.100 0.101 0.000 1.127 472 T CB -1.058 67.874 68.868 0.108 0.000 0.883 472 T HN -0.005 nan 8.240 nan 0.000 0.493 473 F N 1.866 121.821 119.950 0.009 0.000 2.727 473 F HA 0.280 4.806 4.527 -0.001 0.000 0.302 473 F C 2.542 178.302 175.800 -0.066 0.000 1.097 473 F CA -0.220 57.766 58.000 -0.024 0.000 1.330 473 F CB -0.150 38.794 39.000 -0.094 0.000 1.084 473 F HN 0.245 nan 8.300 nan 0.000 0.578 474 S N 0.593 116.350 115.700 0.094 0.000 2.387 474 S HA -0.274 4.196 4.470 -0.001 0.000 0.230 474 S C 2.227 176.836 174.600 0.015 0.000 1.035 474 S CA 1.194 59.410 58.200 0.026 0.000 1.014 474 S CB -0.729 62.481 63.200 0.018 0.000 0.836 474 S HN 0.246 nan 8.310 nan 0.000 0.466 475 A N 0.483 123.314 122.820 0.019 0.000 2.168 475 A HA 0.339 4.658 4.320 -0.001 0.000 0.215 475 A C 1.880 179.480 177.584 0.028 0.000 1.152 475 A CA 0.728 52.776 52.037 0.020 0.000 0.716 475 A CB -0.483 18.524 19.000 0.013 0.000 0.794 475 A HN 0.499 nan 8.150 nan 0.000 0.465 476 L N -0.775 120.468 121.223 0.033 0.000 2.567 476 L HA 0.121 4.461 4.340 -0.001 0.000 0.225 476 L C 0.753 177.636 176.870 0.021 0.000 1.119 476 L CA 0.230 55.100 54.840 0.051 0.000 0.871 476 L CB -0.520 41.601 42.059 0.103 0.000 1.036 476 L HN 0.291 nan 8.230 nan 0.000 0.459 477 C N 1.515 120.807 119.300 -0.014 0.000 2.652 477 C HA 0.270 4.730 4.460 -0.001 0.000 0.412 477 C C -1.473 173.515 174.990 -0.003 0.000 1.294 477 C CA -1.153 57.831 59.018 -0.058 0.000 2.127 477 C CB -0.074 27.595 27.740 -0.118 0.000 2.691 477 C HN 0.226 nan 8.230 nan 0.000 0.615 478 P HA 0.144 nan 4.420 nan 0.000 0.272 478 P C -0.378 177.007 177.300 0.142 0.000 1.230 478 P CA 0.142 63.278 63.100 0.060 0.000 0.788 478 P CB 0.449 32.175 31.700 0.044 0.000 0.949 479 S N 0.878 116.644 115.700 0.111 0.000 2.592 479 S HA 0.121 4.590 4.470 -0.001 0.000 0.271 479 S C 0.389 174.987 174.600 -0.003 0.000 1.326 479 S CA -0.705 57.548 58.200 0.089 0.000 1.024 479 S CB -0.066 63.153 63.200 0.032 0.000 0.921 479 S HN 0.428 nan 8.310 nan 0.000 0.527 480 N N 2.800 121.334 118.700 -0.277 0.000 2.411 480 N HA 0.150 4.890 4.740 -0.001 0.000 0.261 480 N C -2.109 173.268 175.510 -0.221 0.000 1.248 480 N CA -1.583 51.141 53.050 -0.543 0.000 0.885 480 N CB 0.316 38.423 38.487 -0.634 0.000 1.062 480 N HN 0.462 nan 8.380 nan 0.000 0.471 481 P HA 0.028 nan 4.420 nan 0.000 0.231 481 P C -0.653 176.650 177.300 0.005 0.000 1.756 481 P CA -0.174 62.818 63.100 -0.181 0.000 0.990 481 P CB -0.935 30.396 31.700 -0.616 0.000 1.973 482 T N -1.510 113.067 114.554 0.037 0.000 2.922 482 T HA 0.213 4.562 4.350 -0.001 0.000 0.285 482 T C 0.306 175.046 174.700 0.067 0.000 1.005 482 T CA -0.765 61.384 62.100 0.082 0.000 1.061 482 T CB 0.838 69.696 68.868 -0.018 0.000 1.007 482 T HN 0.210 nan 8.240 nan 0.000 0.502 483 C N 2.889 122.125 119.300 -0.105 0.000 2.676 483 C HA 0.487 4.947 4.460 -0.001 0.000 0.416 483 C C 0.242 175.043 174.990 -0.316 0.000 1.299 483 C CA -0.685 57.965 59.018 -0.613 0.000 2.048 483 C CB -1.615 25.742 27.740 -0.638 0.000 2.713 483 C HN 0.807 nan 8.230 nan 0.000 0.624 484 I N 6.231 126.586 120.570 -0.359 0.000 2.390 484 I HA 0.239 4.408 4.170 -0.001 0.000 0.283 484 I C -0.670 175.358 176.117 -0.148 0.000 1.016 484 I CA -0.265 60.916 61.300 -0.198 0.000 1.151 484 I CB 0.645 38.536 38.000 -0.181 0.000 1.293 484 I HN 0.691 nan 8.210 nan 0.000 0.458 485 Y N 6.691 126.829 120.300 -0.271 0.000 2.353 485 Y HA 0.196 4.745 4.550 -0.001 0.000 0.340 485 Y C 1.309 177.009 175.900 -0.333 0.000 0.972 485 Y CA -0.488 57.411 58.100 -0.335 0.000 1.157 485 Y CB 1.277 39.398 38.460 -0.565 0.000 1.157 485 Y HN 0.595 nan 8.280 nan 0.000 0.495 486 K N 3.897 124.006 120.400 -0.484 0.000 2.211 486 K HA -0.143 4.177 4.320 -0.001 0.000 0.203 486 K C -0.439 175.531 176.600 -1.050 0.000 1.050 486 K CA 1.461 57.285 56.287 -0.773 0.000 0.945 486 K CB 0.040 31.982 32.500 -0.930 0.000 0.732 486 K HN 0.779 nan 8.250 nan 0.000 0.451 487 Y N -0.105 119.548 120.300 -1.079 0.000 2.736 487 Y HA 0.334 4.883 4.550 -0.001 0.000 0.293 487 Y C 0.755 176.021 175.900 -1.057 0.000 1.062 487 Y CA -0.898 56.646 58.100 -0.927 0.000 1.247 487 Y CB 0.786 38.767 38.460 -0.798 0.000 1.200 487 Y HN 0.009 nan 8.280 nan 0.000 0.552 488 G N -0.736 107.576 108.800 -0.814 0.000 2.543 488 G HA2 0.059 4.019 3.960 -0.001 0.000 0.290 488 G HA3 0.059 4.019 3.960 -0.001 0.000 0.290 488 G C -0.430 174.406 174.900 -0.107 0.000 1.310 488 G CA -0.599 44.298 45.100 -0.338 0.000 1.025 488 G HN 0.096 nan 8.290 nan 0.000 0.502 489 D N 0.325 120.716 120.400 -0.014 0.000 2.542 489 D HA 0.118 4.757 4.640 -0.001 0.000 0.242 489 D C 0.902 177.194 176.300 -0.014 0.000 1.207 489 D CA 0.773 54.778 54.000 0.008 0.000 1.172 489 D CB 0.384 41.201 40.800 0.028 0.000 1.126 489 D HN 0.732 nan 8.370 nan 0.000 0.500 490 E N -0.449 119.735 120.200 -0.026 0.000 1.213 490 E HA -0.120 4.229 4.350 -0.001 0.000 0.201 490 E C -0.655 175.913 176.600 -0.053 0.000 0.861 490 E CA -0.074 56.302 56.400 -0.040 0.000 0.901 490 E CB -0.377 29.294 29.700 -0.050 0.000 4.650 490 E HN 0.237 nan 8.360 nan 0.000 0.603 491 S N 1.396 117.067 115.700 -0.048 0.000 2.565 491 S HA 0.422 4.891 4.470 -0.001 0.000 0.276 491 S C 0.334 174.899 174.600 -0.058 0.000 1.326 491 S CA -0.061 58.115 58.200 -0.039 0.000 1.045 491 S CB 1.375 64.581 63.200 0.009 0.000 0.918 491 S HN 0.344 nan 8.310 nan 0.000 0.505 492 S N 1.274 116.905 115.700 -0.115 0.000 2.528 492 S HA 0.133 4.603 4.470 -0.001 0.000 0.277 492 S C 0.893 175.236 174.600 -0.429 0.000 1.297 492 S CA -0.574 57.511 58.200 -0.192 0.000 1.052 492 S CB -0.179 62.946 63.200 -0.124 0.000 0.917 492 S HN 0.873 nan 8.310 nan 0.000 0.492 493 N N 2.028 120.367 118.700 -0.602 0.000 2.626 493 N HA -0.130 4.610 4.740 -0.001 0.000 0.193 493 N C 1.056 176.336 175.510 -0.383 0.000 1.213 493 N CA 0.512 53.006 53.050 -0.927 0.000 0.914 493 N CB -0.237 37.966 38.487 -0.474 0.000 0.994 493 N HN 0.701 nan 8.380 nan 0.000 0.447 494 S N 0.062 115.624 115.700 -0.230 0.000 2.528 494 S HA 0.140 4.610 4.470 -0.001 0.000 0.219 494 S C 0.844 175.424 174.600 -0.033 0.000 0.985 494 S CA -0.417 57.724 58.200 -0.098 0.000 0.914 494 S CB -0.079 63.076 63.200 -0.074 0.000 0.776 494 S HN 0.206 nan 8.310 nan 0.000 0.526 495 L N 2.651 123.871 121.223 -0.005 0.000 2.453 495 L HA 0.253 4.592 4.340 -0.001 0.000 0.272 495 L C -2.362 174.601 176.870 0.156 0.000 1.182 495 L CA -1.919 52.988 54.840 0.112 0.000 0.858 495 L CB -0.074 42.121 42.059 0.227 0.000 1.120 495 L HN -0.005 nan 8.230 nan 0.000 0.474 496 P HA -0.005 nan 4.420 nan 0.000 0.262 496 P C 0.672 178.024 177.300 0.086 0.000 1.182 496 P CA 0.661 63.815 63.100 0.089 0.000 0.761 496 P CB 0.599 32.343 31.700 0.074 0.000 0.795 497 G N 2.148 110.956 108.800 0.014 0.000 2.166 497 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.260 497 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.260 497 G C 1.029 175.814 174.900 -0.191 0.000 0.986 497 G CA 0.839 45.891 45.100 -0.080 0.000 0.683 497 G HN 0.692 nan 8.290 nan 0.000 0.527 498 H N 1.400 120.372 119.070 -0.163 0.000 2.387 498 H HA -0.096 4.460 4.556 -0.001 0.000 0.299 498 H C 2.798 178.016 175.328 -0.182 0.000 1.099 498 H CA 3.139 59.075 56.048 -0.187 0.000 1.315 498 H CB 0.022 29.774 29.762 -0.017 0.000 1.380 498 H HN 0.660 nan 8.280 nan 0.000 0.513 499 S N -0.936 114.757 115.700 -0.012 0.000 2.387 499 S HA -0.106 4.364 4.470 -0.001 0.000 0.226 499 S C 2.250 176.778 174.600 -0.121 0.000 1.026 499 S CA 1.112 59.290 58.200 -0.037 0.000 0.972 499 S CB -0.690 62.511 63.200 0.003 0.000 0.814 499 S HN 0.222 nan 8.310 nan 0.000 0.477 500 V N 2.785 122.612 119.914 -0.145 0.000 2.358 500 V HA -0.076 4.043 4.120 -0.001 0.000 0.246 500 V C 3.214 179.184 176.094 -0.206 0.000 1.047 500 V CA 1.559 63.767 62.300 -0.152 0.000 1.035 500 V CB -1.637 30.106 31.823 -0.133 0.000 0.658 500 V HN 0.667 nan 8.190 nan 0.000 0.452 501 A N -0.013 122.602 122.820 -0.342 0.000 1.892 501 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 501 A C 2.257 179.716 177.584 -0.207 0.000 1.188 501 A CA 2.119 53.928 52.037 -0.379 0.000 0.631 501 A CB -0.647 17.815 19.000 -0.896 0.000 0.822 501 A HN 0.491 nan 8.150 nan 0.000 0.447 502 L N -0.851 120.226 121.223 -0.243 0.000 2.012 502 L HA -0.287 4.053 4.340 -0.001 0.000 0.210 502 L C 2.838 179.660 176.870 -0.079 0.000 1.073 502 L CA 1.672 56.435 54.840 -0.127 0.000 0.748 502 L CB -0.777 41.208 42.059 -0.124 0.000 0.891 502 L HN 0.534 nan 8.230 nan 0.000 0.431 503 C N -0.212 119.027 119.300 -0.101 0.000 2.413 503 C HA -0.189 4.271 4.460 -0.001 0.000 0.276 503 C C 2.778 177.688 174.990 -0.134 0.000 1.248 503 C CA 0.564 59.524 59.018 -0.097 0.000 1.742 503 C CB -0.883 26.799 27.740 -0.098 0.000 2.017 503 C HN 0.429 nan 8.230 nan 0.000 0.481 504 L N 0.876 122.001 121.223 -0.164 0.000 2.017 504 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 504 L C 2.898 179.661 176.870 -0.179 0.000 1.073 504 L CA 1.645 56.318 54.840 -0.279 0.000 0.745 504 L CB -0.838 41.108 42.059 -0.188 0.000 0.894 504 L HN 0.368 nan 8.230 nan 0.000 0.432 505 A N -0.100 122.731 122.820 0.018 0.000 1.859 505 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 505 A C 2.286 179.920 177.584 0.084 0.000 1.198 505 A CA 2.257 54.373 52.037 0.131 0.000 0.629 505 A CB -1.055 18.021 19.000 0.126 0.000 0.830 505 A HN 0.199 nan 8.150 nan 0.000 0.446 506 V N -0.072 119.855 119.914 0.021 0.000 2.392 506 V HA -0.260 3.860 4.120 -0.001 0.000 0.249 506 V C 3.025 179.115 176.094 -0.006 0.000 1.059 506 V CA 2.012 64.320 62.300 0.012 0.000 1.051 506 V CB -1.410 30.410 31.823 -0.005 0.000 0.658 506 V HN 0.647 nan 8.190 nan 0.000 0.455 507 A N -0.673 122.099 122.820 -0.080 0.000 1.933 507 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 507 A C 2.111 179.645 177.584 -0.084 0.000 1.175 507 A CA 1.737 53.695 52.037 -0.132 0.000 0.628 507 A CB -0.718 18.123 19.000 -0.265 0.000 0.814 507 A HN 0.509 nan 8.150 nan 0.000 0.444 508 F N 0.062 119.991 119.950 -0.035 0.000 2.186 508 F HA -0.139 4.388 4.527 -0.001 0.000 0.299 508 F C 2.379 178.185 175.800 0.010 0.000 1.090 508 F CA 1.431 59.412 58.000 -0.032 0.000 1.307 508 F CB -0.024 38.904 39.000 -0.119 0.000 1.019 508 F HN 0.139 nan 8.300 nan 0.000 0.489 509 K N -0.166 120.340 120.400 0.177 0.000 2.097 509 K HA -0.112 4.207 4.320 -0.001 0.000 0.206 509 K C 1.743 178.393 176.600 0.083 0.000 1.049 509 K CA 1.545 57.891 56.287 0.097 0.000 0.933 509 K CB -0.349 32.186 32.500 0.059 0.000 0.717 509 K HN 0.042 nan 8.250 nan 0.000 0.442 510 S N 1.036 116.780 115.700 0.074 0.000 2.660 510 S HA 0.031 4.500 4.470 -0.001 0.000 0.228 510 S C -0.337 174.313 174.600 0.083 0.000 0.966 510 S CA 0.233 58.468 58.200 0.058 0.000 0.940 510 S CB -0.227 62.993 63.200 0.034 0.000 0.773 510 S HN 0.229 nan 8.310 nan 0.000 0.535 511 K N 0.881 121.361 120.400 0.134 0.000 3.974 511 K HA -0.183 4.137 4.320 -0.001 0.000 0.280 511 K C 0.089 176.788 176.600 0.166 0.000 0.949 511 K CA 0.249 56.641 56.287 0.176 0.000 0.817 511 K CB -1.750 30.818 32.500 0.114 0.000 1.535 511 K HN 0.478 nan 8.250 nan 0.000 0.444 512 A N 1.242 124.188 122.820 0.210 0.000 2.259 512 A HA 0.556 4.875 4.320 -0.001 0.000 0.278 512 A C 0.867 178.585 177.584 0.224 0.000 1.107 512 A CA 0.229 52.361 52.037 0.158 0.000 0.828 512 A CB 0.486 19.525 19.000 0.066 0.000 1.111 512 A HN 0.536 nan 8.150 nan 0.000 0.498 513 T N -2.125 112.520 114.554 0.150 0.000 2.912 513 T HA 0.275 4.624 4.350 -0.001 0.000 0.280 513 T C 0.865 175.676 174.700 0.186 0.000 0.989 513 T CA -0.127 62.046 62.100 0.122 0.000 0.995 513 T CB 0.619 69.533 68.868 0.078 0.000 1.077 513 T HN 0.606 nan 8.240 nan 0.000 0.531 514 N N 0.689 119.472 118.700 0.139 0.000 2.069 514 N HA -0.170 4.569 4.740 -0.001 0.000 0.191 514 N C 1.171 176.759 175.510 0.130 0.000 1.031 514 N CA 1.823 54.940 53.050 0.112 0.000 0.852 514 N CB -0.289 38.270 38.487 0.119 0.000 1.018 514 N HN 0.704 nan 8.380 nan 0.000 0.423 515 D N 0.928 121.494 120.400 0.278 0.000 2.149 515 D HA -0.141 4.498 4.640 -0.001 0.000 0.198 515 D C 1.630 178.043 176.300 0.188 0.000 0.990 515 D CA 0.994 55.189 54.000 0.325 0.000 0.839 515 D CB -0.107 40.802 40.800 0.182 0.000 0.948 515 D HN 0.376 nan 8.370 nan 0.000 0.460 516 E N -0.180 120.082 120.200 0.104 0.000 2.077 516 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 516 E C 1.889 178.474 176.600 -0.024 0.000 0.989 516 E CA 0.594 57.017 56.400 0.039 0.000 0.800 516 E CB 0.017 29.734 29.700 0.029 0.000 0.746 516 E HN 0.263 nan 8.360 nan 0.000 0.452 517 I N 0.180 120.708 120.570 -0.070 0.000 2.233 517 I HA -0.209 3.960 4.170 -0.001 0.000 0.243 517 I C 1.821 177.833 176.117 -0.175 0.000 1.093 517 I CA 1.053 62.221 61.300 -0.221 0.000 1.380 517 I CB -0.342 37.470 38.000 -0.314 0.000 1.067 517 I HN 0.013 nan 8.210 nan 0.000 0.413 518 F N 0.362 120.262 119.950 -0.083 0.000 2.063 518 F HA -0.326 4.201 4.527 -0.000 0.000 0.298 518 F C 2.980 178.729 175.800 -0.085 0.000 1.109 518 F CA 1.971 59.913 58.000 -0.096 0.000 1.212 518 F CB -1.414 37.549 39.000 -0.061 0.000 0.973 518 F HN 0.038 nan 8.300 nan 0.000 0.480 519 S N 0.262 116.047 115.700 0.141 0.000 2.372 519 S HA -0.230 4.239 4.470 -0.001 0.000 0.227 519 S C 2.156 176.758 174.600 0.003 0.000 1.044 519 S CA 1.869 60.100 58.200 0.052 0.000 1.050 519 S CB -0.589 62.630 63.200 0.032 0.000 0.901 519 S HN 0.323 nan 8.310 nan 0.000 0.447 520 I N 1.064 121.613 120.570 -0.035 0.000 2.179 520 I HA -0.185 3.984 4.170 -0.001 0.000 0.242 520 I C 2.255 178.334 176.117 -0.062 0.000 1.088 520 I CA 1.146 62.405 61.300 -0.068 0.000 1.357 520 I CB -0.447 37.480 38.000 -0.121 0.000 1.051 520 I HN 0.298 nan 8.210 nan 0.000 0.409 521 L N 0.616 121.801 121.223 -0.062 0.000 2.127 521 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 521 L C 2.422 179.275 176.870 -0.029 0.000 1.089 521 L CA 1.383 56.190 54.840 -0.055 0.000 0.757 521 L CB -0.534 41.481 42.059 -0.073 0.000 0.899 521 L HN 0.209 nan 8.230 nan 0.000 0.434 522 K N -0.251 120.144 120.400 -0.008 0.000 2.360 522 K HA -0.147 4.172 4.320 -0.001 0.000 0.201 522 K C 0.651 177.237 176.600 -0.024 0.000 1.046 522 K CA 0.824 57.105 56.287 -0.011 0.000 0.940 522 K CB -0.120 32.378 32.500 -0.004 0.000 0.748 522 K HN 0.294 nan 8.250 nan 0.000 0.465 523 D N 1.002 121.383 120.400 -0.031 0.000 2.400 523 D HA 0.009 4.649 4.640 -0.001 0.000 0.243 523 D C -0.685 175.592 176.300 -0.038 0.000 1.184 523 D CA 0.409 54.389 54.000 -0.034 0.000 0.853 523 D CB 0.244 41.022 40.800 -0.037 0.000 0.944 523 D HN -0.125 nan 8.370 nan 0.000 0.501 524 V N 2.792 122.683 119.914 -0.039 0.000 2.444 524 V HA 0.227 4.346 4.120 -0.001 0.000 0.294 524 V C -1.543 174.526 176.094 -0.043 0.000 1.022 524 V CA -1.376 60.898 62.300 -0.043 0.000 0.850 524 V CB 2.425 34.219 31.823 -0.047 0.000 0.992 524 V HN -0.003 nan 8.190 nan 0.000 0.426 525 P HA 0.275 nan 4.420 nan 0.000 0.317 525 P C -0.510 176.755 177.300 -0.057 0.000 1.316 525 P CA 0.014 63.089 63.100 -0.041 0.000 0.744 525 P CB 0.720 32.401 31.700 -0.032 0.000 1.521 540 N N 8.530 126.979 118.700 -0.418 0.000 2.569 540 N HA 0.423 5.163 4.740 -0.001 0.000 0.254 540 N C -2.119 173.066 175.510 -0.541 0.000 1.004 540 N CA -2.184 50.582 53.050 -0.473 0.000 0.904 540 N CB 2.341 40.713 38.487 -0.192 0.000 1.165 540 N HN 0.294 nan 8.380 nan 0.000 0.513 541 P HA -0.144 nan 4.420 nan 0.000 0.218 541 P C 1.495 178.728 177.300 -0.111 0.000 1.149 541 P CA 0.433 63.152 63.100 -0.635 0.000 0.817 541 P CB 0.735 31.943 31.700 -0.820 0.000 0.785 542 L N 0.106 121.262 121.223 -0.112 0.000 2.109 542 L HA -0.022 4.318 4.340 -0.001 0.000 0.207 542 L C 2.408 179.301 176.870 0.038 0.000 1.086 542 L CA 1.839 56.687 54.840 0.014 0.000 0.760 542 L CB -1.126 40.921 42.059 -0.020 0.000 0.910 542 L HN -0.214 nan 8.230 nan 0.000 0.437 543 K N -0.511 119.882 120.400 -0.012 0.000 2.026 543 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 543 K C 2.091 178.744 176.600 0.089 0.000 1.048 543 K CA 1.862 58.153 56.287 0.006 0.000 0.929 543 K CB -0.264 32.215 32.500 -0.036 0.000 0.713 543 K HN 0.323 nan 8.250 nan 0.000 0.439 544 I N 1.022 121.672 120.570 0.133 0.000 2.163 544 I HA -0.309 3.861 4.170 -0.001 0.000 0.243 544 I C 2.643 178.916 176.117 0.260 0.000 1.085 544 I CA 1.398 62.847 61.300 0.248 0.000 1.347 544 I CB -0.295 37.932 38.000 0.378 0.000 1.044 544 I HN 0.314 nan 8.210 nan 0.000 0.408 545 E N 1.018 121.377 120.200 0.264 0.000 2.058 545 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 545 E C 2.220 178.961 176.600 0.235 0.000 0.997 545 E CA 2.378 58.914 56.400 0.226 0.000 0.801 545 E CB 0.021 29.890 29.700 0.283 0.000 0.746 545 E HN 0.432 nan 8.360 nan 0.000 0.450 546 V N -0.873 119.153 119.914 0.186 0.000 2.667 546 V HA -0.126 3.993 4.120 -0.001 0.000 0.252 546 V C 2.151 178.322 176.094 0.128 0.000 1.065 546 V CA 1.589 63.941 62.300 0.087 0.000 1.083 546 V CB -0.878 30.870 31.823 -0.126 0.000 0.692 546 V HN 0.323 nan 8.190 nan 0.000 0.468 547 F N 1.364 121.310 119.950 -0.007 0.000 2.098 547 F HA 0.027 4.554 4.527 -0.000 0.000 0.294 547 F C 2.169 177.952 175.800 -0.028 0.000 1.107 547 F CA 2.010 59.985 58.000 -0.041 0.000 1.234 547 F CB -0.456 38.457 39.000 -0.144 0.000 1.002 547 F HN -0.005 nan 8.300 nan 0.000 0.472 548 V N 0.899 120.694 119.914 -0.199 0.000 2.307 548 V HA -0.273 3.847 4.120 -0.001 0.000 0.245 548 V C 2.529 178.537 176.094 -0.143 0.000 1.045 548 V CA 2.004 64.156 62.300 -0.247 0.000 1.024 548 V CB -0.809 31.027 31.823 0.021 0.000 0.651 548 V HN 0.367 nan 8.190 nan 0.000 0.449 549 Q N -0.177 119.632 119.800 0.015 0.000 2.077 549 Q HA -0.215 4.125 4.340 -0.001 0.000 0.206 549 Q C 2.367 178.391 176.000 0.040 0.000 0.989 549 Q CA 2.449 58.314 55.803 0.103 0.000 0.853 549 Q CB -0.690 28.244 28.738 0.327 0.000 0.907 549 Q HN 0.636 nan 8.270 nan 0.000 0.418 550 T N 1.681 116.268 114.554 0.054 0.000 2.770 550 T HA -0.106 4.244 4.350 -0.001 0.000 0.263 550 T C 1.857 176.387 174.700 -0.284 0.000 1.039 550 T CA 0.801 62.881 62.100 -0.034 0.000 1.142 550 T CB -0.270 68.695 68.868 0.161 0.000 0.868 550 T HN 0.083 nan 8.240 nan 0.000 0.435 551 L N 1.119 122.044 121.223 -0.496 0.000 2.017 551 L HA 0.075 4.415 4.340 -0.001 0.000 0.208 551 L C 2.135 178.731 176.870 -0.457 0.000 1.073 551 L CA 1.585 55.927 54.840 -0.831 0.000 0.745 551 L CB -0.836 40.615 42.059 -1.012 0.000 0.894 551 L HN 0.250 nan 8.230 nan 0.000 0.432 552 L N -1.111 119.948 121.223 -0.274 0.000 2.046 552 L HA -0.252 4.088 4.340 -0.001 0.000 0.208 552 L C 2.700 179.480 176.870 -0.151 0.000 1.077 552 L CA 1.625 56.406 54.840 -0.100 0.000 0.747 552 L CB -1.014 41.030 42.059 -0.025 0.000 0.896 552 L HN 0.515 nan 8.230 nan 0.000 0.432 553 H N 0.770 119.606 119.070 -0.390 0.000 2.422 553 H HA -0.152 4.403 4.556 -0.001 0.000 0.298 553 H C 2.141 177.247 175.328 -0.369 0.000 1.098 553 H CA 1.448 57.197 56.048 -0.498 0.000 1.315 553 H CB 0.217 29.401 29.762 -0.963 0.000 1.382 553 H HN 0.323 nan 8.280 nan 0.000 0.523 554 L N 0.078 121.013 121.223 -0.479 0.000 2.240 554 L HA 0.036 4.375 4.340 -0.001 0.000 0.211 554 L C 2.409 179.096 176.870 -0.305 0.000 1.106 554 L CA 0.744 55.320 54.840 -0.440 0.000 0.793 554 L CB -0.111 41.736 42.059 -0.353 0.000 0.927 554 L HN 0.237 nan 8.230 nan 0.000 0.446 555 A N -0.391 122.302 122.820 -0.211 0.000 2.460 555 A HA 0.437 4.757 4.320 -0.001 0.000 0.258 555 A C 1.956 179.575 177.584 0.058 0.000 1.300 555 A CA 0.485 52.480 52.037 -0.070 0.000 0.913 555 A CB -0.239 18.742 19.000 -0.032 0.000 1.031 555 A HN 0.241 nan 8.150 nan 0.000 0.512 556 A N 0.288 123.134 122.820 0.043 0.000 2.248 556 A HA -0.054 4.266 4.320 -0.001 0.000 0.210 556 A C 1.921 179.660 177.584 0.258 0.000 1.174 556 A CA 1.422 53.644 52.037 0.309 0.000 0.750 556 A CB -0.359 18.715 19.000 0.125 0.000 0.780 556 A HN 0.543 nan 8.150 nan 0.000 0.478 557 K N 0.223 120.704 120.400 0.135 0.000 2.062 557 K HA -0.058 4.262 4.320 -0.001 0.000 0.205 557 K C 0.545 177.192 176.600 0.077 0.000 1.051 557 K CA 1.471 57.834 56.287 0.126 0.000 0.941 557 K CB -0.066 32.541 32.500 0.177 0.000 0.719 557 K HN 0.591 nan 8.250 nan 0.000 0.440 558 S N -2.110 113.620 115.700 0.050 0.000 2.625 558 S HA 0.296 4.765 4.470 -0.001 0.000 0.271 558 S C 0.419 174.950 174.600 -0.116 0.000 1.161 558 S CA -0.984 57.143 58.200 -0.121 0.000 0.820 558 S CB 0.411 63.455 63.200 -0.260 0.000 1.137 558 S HN -0.022 nan 8.310 nan 0.000 0.470 559 F N 1.576 121.262 119.950 -0.441 0.000 2.102 559 F HA 0.005 4.531 4.527 -0.001 0.000 0.298 559 F C 2.972 178.218 175.800 -0.924 0.000 1.105 559 F CA 1.322 58.832 58.000 -0.816 0.000 1.239 559 F CB -1.513 37.055 39.000 -0.720 0.000 0.991 559 F HN 0.648 nan 8.300 nan 0.000 0.474 560 S N -1.012 114.525 115.700 -0.271 0.000 2.370 560 S HA -0.204 4.265 4.470 -0.001 0.000 0.226 560 S C 1.927 176.495 174.600 -0.053 0.000 1.033 560 S CA 1.243 59.376 58.200 -0.112 0.000 1.011 560 S CB -0.353 62.765 63.200 -0.138 0.000 0.852 560 S HN 0.363 nan 8.310 nan 0.000 0.457 561 H N 0.851 119.888 119.070 -0.055 0.000 2.357 561 H HA 0.102 4.658 4.556 -0.001 0.000 0.301 561 H C 2.585 177.892 175.328 -0.035 0.000 1.082 561 H CA 1.327 57.358 56.048 -0.028 0.000 1.342 561 H CB -0.802 28.937 29.762 -0.038 0.000 1.389 561 H HN 0.279 nan 8.280 nan 0.000 0.511 562 S N 0.259 115.962 115.700 0.004 0.000 2.382 562 S HA -0.092 4.377 4.470 -0.001 0.000 0.228 562 S C 2.147 176.773 174.600 0.045 0.000 1.027 562 S CA 0.792 58.967 58.200 -0.041 0.000 0.991 562 S CB -0.391 62.703 63.200 -0.177 0.000 0.823 562 S HN 0.326 nan 8.310 nan 0.000 0.469 563 F N 1.996 121.952 119.950 0.010 0.000 2.102 563 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 563 F C 2.972 178.786 175.800 0.023 0.000 1.105 563 F CA 0.922 58.912 58.000 -0.017 0.000 1.239 563 F CB -0.451 38.532 39.000 -0.028 0.000 0.991 563 F HN 0.280 nan 8.300 nan 0.000 0.474 564 S N 0.419 116.267 115.700 0.246 0.000 2.428 564 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 564 S C 2.007 176.710 174.600 0.172 0.000 1.014 564 S CA 0.604 58.908 58.200 0.174 0.000 0.957 564 S CB -0.607 62.688 63.200 0.158 0.000 0.784 564 S HN 0.270 nan 8.310 nan 0.000 0.499 565 A N 2.206 125.138 122.820 0.186 0.000 1.898 565 A HA 0.187 4.507 4.320 -0.001 0.000 0.216 565 A C 2.281 180.072 177.584 0.345 0.000 1.181 565 A CA 1.232 53.411 52.037 0.238 0.000 0.620 565 A CB -0.793 18.268 19.000 0.102 0.000 0.819 565 A HN 0.534 nan 8.150 nan 0.000 0.442 566 L N -0.903 120.470 121.223 0.251 0.000 2.093 566 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 566 L C 3.068 180.094 176.870 0.261 0.000 1.085 566 L CA 0.983 55.956 54.840 0.223 0.000 0.755 566 L CB -0.595 41.472 42.059 0.012 0.000 0.904 566 L HN 0.442 nan 8.230 nan 0.000 0.435 567 A N 0.125 123.057 122.820 0.186 0.000 1.873 567 A HA -0.226 4.094 4.320 -0.001 0.000 0.215 567 A C 2.403 180.059 177.584 0.121 0.000 1.186 567 A CA 1.715 53.826 52.037 0.124 0.000 0.616 567 A CB -0.390 18.643 19.000 0.054 0.000 0.823 567 A HN 0.265 nan 8.150 nan 0.000 0.442 568 K N -1.490 118.953 120.400 0.072 0.000 2.057 568 K HA -0.099 4.221 4.320 -0.001 0.000 0.207 568 K C 0.134 176.554 176.600 -0.301 0.000 1.049 568 K CA 1.435 57.617 56.287 -0.175 0.000 0.931 568 K CB -0.185 32.122 32.500 -0.321 0.000 0.714 568 K HN 0.462 nan 8.250 nan 0.000 0.440 569 F N -0.171 119.961 119.950 0.303 0.000 2.837 569 F HA 0.134 4.661 4.527 -0.001 0.000 0.298 569 F C 1.487 177.553 175.800 0.443 0.000 1.161 569 F CA -0.383 57.822 58.000 0.341 0.000 1.353 569 F CB 0.029 39.296 39.000 0.445 0.000 0.951 569 F HN 0.170 nan 8.300 nan 0.000 0.508 570 H N 1.190 120.483 119.070 0.372 0.000 2.319 570 H HA -0.171 4.384 4.556 -0.001 0.000 0.297 570 H C 1.621 177.137 175.328 0.313 0.000 1.097 570 H CA 2.405 58.655 56.048 0.338 0.000 1.285 570 H CB 0.318 30.176 29.762 0.161 0.000 1.368 570 H HN 0.414 nan 8.280 nan 0.000 0.495 571 E N -0.200 120.186 120.200 0.309 0.000 2.070 571 E HA -0.161 4.189 4.350 -0.001 0.000 0.197 571 E C 2.470 179.195 176.600 0.209 0.000 1.004 571 E CA 1.525 58.082 56.400 0.261 0.000 0.805 571 E CB 0.040 29.925 29.700 0.308 0.000 0.744 571 E HN 0.292 nan 8.360 nan 0.000 0.451 572 V N 0.726 120.644 119.914 0.007 0.000 2.287 572 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 572 V C 2.017 177.965 176.094 -0.243 0.000 1.053 572 V CA 1.828 63.895 62.300 -0.389 0.000 1.027 572 V CB -0.689 30.615 31.823 -0.866 0.000 0.646 572 V HN 0.176 nan 8.190 nan 0.000 0.447 573 F N 0.418 120.347 119.950 -0.034 0.000 2.069 573 F HA -0.165 4.361 4.527 -0.001 0.000 0.298 573 F C 2.561 178.342 175.800 -0.031 0.000 1.113 573 F CA 1.672 59.688 58.000 0.027 0.000 1.214 573 F CB -0.391 38.632 39.000 0.038 0.000 0.978 573 F HN -0.010 nan 8.300 nan 0.000 0.474 574 K N -0.143 120.314 120.400 0.095 0.000 2.103 574 K HA -0.126 4.194 4.320 -0.001 0.000 0.207 574 K C 1.981 178.631 176.600 0.084 0.000 1.048 574 K CA 1.774 58.083 56.287 0.035 0.000 0.930 574 K CB -1.232 31.260 32.500 -0.014 0.000 0.716 574 K HN 0.272 nan 8.250 nan 0.000 0.444 575 T N 1.606 116.230 114.554 0.116 0.000 2.809 575 T HA -0.038 4.311 4.350 -0.001 0.000 0.260 575 T C 1.891 176.653 174.700 0.103 0.000 1.039 575 T CA 0.668 62.843 62.100 0.124 0.000 1.141 575 T CB -0.109 68.899 68.868 0.234 0.000 0.869 575 T HN -0.050 nan 8.240 nan 0.000 0.437 576 L N 0.908 122.175 121.223 0.074 0.000 2.141 576 L HA 0.181 4.520 4.340 -0.001 0.000 0.209 576 L C 1.916 178.882 176.870 0.161 0.000 1.094 576 L CA 0.981 55.866 54.840 0.075 0.000 0.763 576 L CB -0.641 41.394 42.059 -0.040 0.000 0.908 576 L HN 0.219 nan 8.230 nan 0.000 0.437 577 A N -1.549 121.364 122.820 0.156 0.000 3.106 577 A HA 0.208 4.528 4.320 -0.001 0.000 0.306 577 A C 1.594 179.235 177.584 0.095 0.000 1.192 577 A CA -0.310 51.822 52.037 0.158 0.000 0.994 577 A CB -0.382 18.732 19.000 0.190 0.000 1.107 577 A HN 0.311 nan 8.150 nan 0.000 0.585 578 E N 0.445 120.696 120.200 0.085 0.000 2.158 578 E HA -0.046 4.304 4.350 -0.001 0.000 0.191 578 E C 1.267 177.882 176.600 0.026 0.000 0.982 578 E CA 0.849 57.280 56.400 0.052 0.000 0.823 578 E CB 0.149 29.880 29.700 0.052 0.000 0.766 578 E HN 0.729 nan 8.360 nan 0.000 0.468 579 S N -0.249 115.461 115.700 0.017 0.000 2.681 579 S HA 0.099 4.568 4.470 -0.001 0.000 0.270 579 S C 0.631 175.180 174.600 -0.084 0.000 1.209 579 S CA -0.688 57.486 58.200 -0.044 0.000 0.988 579 S CB 1.265 64.414 63.200 -0.084 0.000 1.006 579 S HN -0.040 nan 8.310 nan 0.000 0.558 580 D N 0.610 120.943 120.400 -0.112 0.000 2.144 580 D HA -0.034 4.606 4.640 -0.001 0.000 0.200 580 D C 1.841 178.036 176.300 -0.175 0.000 0.978 580 D CA 1.290 55.226 54.000 -0.107 0.000 0.833 580 D CB -0.283 40.465 40.800 -0.086 0.000 0.961 580 D HN 0.745 nan 8.370 nan 0.000 0.470 581 E N 0.261 120.247 120.200 -0.357 0.000 2.077 581 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 581 E C 2.151 178.408 176.600 -0.571 0.000 0.989 581 E CA 1.006 57.029 56.400 -0.629 0.000 0.800 581 E CB -0.191 28.735 29.700 -1.290 0.000 0.746 581 E HN 0.259 nan 8.360 nan 0.000 0.452 582 G N 1.620 110.149 108.800 -0.452 0.000 2.421 582 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.216 582 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.216 582 G C 1.448 176.438 174.900 0.149 0.000 1.171 582 G CA 0.850 46.009 45.100 0.098 0.000 0.775 582 G HN 0.128 nan 8.290 nan 0.000 0.543 583 K N -0.396 120.032 120.400 0.046 0.000 2.063 583 K HA 0.043 4.363 4.320 -0.001 0.000 0.208 583 K C 2.367 178.991 176.600 0.040 0.000 1.048 583 K CA 0.708 57.021 56.287 0.044 0.000 0.928 583 K CB -0.303 32.196 32.500 -0.001 0.000 0.713 583 K HN 0.149 nan 8.250 nan 0.000 0.442 584 L N 0.772 122.021 121.223 0.044 0.000 2.046 584 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 584 L C 2.215 179.189 176.870 0.172 0.000 1.077 584 L CA 2.001 56.897 54.840 0.092 0.000 0.747 584 L CB -0.795 41.322 42.059 0.097 0.000 0.896 584 L HN 0.293 nan 8.230 nan 0.000 0.432 585 H N -1.265 117.885 119.070 0.133 0.000 2.423 585 H HA -0.069 4.487 4.556 -0.000 0.000 0.297 585 H C 2.126 177.565 175.328 0.185 0.000 1.075 585 H CA 1.426 57.603 56.048 0.216 0.000 1.342 585 H CB 0.127 30.109 29.762 0.368 0.000 1.395 585 H HN 0.083 nan 8.280 nan 0.000 0.530 586 V N 0.296 120.311 119.914 0.168 0.000 2.261 586 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 586 V C 2.553 178.641 176.094 -0.010 0.000 1.047 586 V CA 1.818 64.191 62.300 0.121 0.000 1.015 586 V CB -0.609 31.336 31.823 0.205 0.000 0.642 586 V HN 0.385 nan 8.190 nan 0.000 0.446 587 L N -0.307 120.836 121.223 -0.134 0.000 2.042 587 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 587 L C 2.720 179.490 176.870 -0.168 0.000 1.076 587 L CA 2.110 56.685 54.840 -0.441 0.000 0.749 587 L CB -0.640 40.873 42.059 -0.909 0.000 0.893 587 L HN 0.290 nan 8.230 nan 0.000 0.432 588 R N -0.021 120.510 120.500 0.052 0.000 2.073 588 R HA -0.140 4.200 4.340 -0.001 0.000 0.234 588 R C 2.172 178.566 176.300 0.156 0.000 1.134 588 R CA 1.596 57.841 56.100 0.242 0.000 0.952 588 R CB -0.200 30.218 30.300 0.198 0.000 0.850 588 R HN 0.134 nan 8.270 nan 0.000 0.433 589 V N 1.373 121.262 119.914 -0.042 0.000 2.453 589 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 589 V C 2.510 178.639 176.094 0.058 0.000 1.048 589 V CA 1.765 64.044 62.300 -0.034 0.000 1.049 589 V CB -0.469 31.291 31.823 -0.104 0.000 0.672 589 V HN 0.471 nan 8.190 nan 0.000 0.457 590 M N -0.383 119.266 119.600 0.081 0.000 2.108 590 M HA -0.240 4.240 4.480 -0.001 0.000 0.261 590 M C 2.179 178.617 176.300 0.229 0.000 1.066 590 M CA 2.269 57.646 55.300 0.128 0.000 1.107 590 M CB -0.657 31.985 32.600 0.071 0.000 1.356 590 M HN 0.410 nan 8.290 nan 0.000 0.406 591 F N 1.540 121.590 119.950 0.167 0.000 2.171 591 F HA -0.166 4.361 4.527 -0.001 0.000 0.300 591 F C 1.996 177.904 175.800 0.180 0.000 1.090 591 F CA 1.785 59.954 58.000 0.282 0.000 1.293 591 F CB -0.374 38.923 39.000 0.494 0.000 1.013 591 F HN 0.312 nan 8.300 nan 0.000 0.486 592 E N -0.560 119.695 120.200 0.093 0.000 2.204 592 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 592 E C 2.301 178.810 176.600 -0.151 0.000 0.989 592 E CA 1.245 57.608 56.400 -0.061 0.000 0.824 592 E CB -0.146 29.560 29.700 0.011 0.000 0.756 592 E HN 0.316 nan 8.360 nan 0.000 0.477 593 V N -0.718 119.117 119.914 -0.132 0.000 2.446 593 V HA -0.130 3.989 4.120 -0.001 0.000 0.244 593 V C 0.995 176.865 176.094 -0.374 0.000 1.039 593 V CA 1.194 63.322 62.300 -0.287 0.000 1.045 593 V CB -0.147 31.475 31.823 -0.334 0.000 0.681 593 V HN 0.370 nan 8.190 nan 0.000 0.459 594 W N 0.474 121.714 121.300 -0.100 0.000 2.771 594 W HA 0.252 4.911 4.660 -0.001 0.000 0.412 594 W C 2.093 178.511 176.519 -0.168 0.000 0.965 594 W CA -0.690 56.603 57.345 -0.088 0.000 2.045 594 W CB 0.301 29.724 29.460 -0.062 0.000 1.176 594 W HN 0.118 nan 8.180 nan 0.000 0.634 595 R N -0.081 120.306 120.500 -0.188 0.000 2.159 595 R HA -0.144 4.195 4.340 -0.001 0.000 0.237 595 R C 0.906 177.129 176.300 -0.129 0.000 1.131 595 R CA 1.422 57.261 56.100 -0.436 0.000 0.982 595 R CB -0.538 29.270 30.300 -0.820 0.000 0.868 595 R HN 0.111 nan 8.270 nan 0.000 0.453 596 N N 0.212 118.911 118.700 -0.003 0.000 2.461 596 N HA -0.084 4.656 4.740 -0.001 0.000 0.188 596 N C -0.285 175.292 175.510 0.110 0.000 1.134 596 N CA 0.652 53.727 53.050 0.040 0.000 0.878 596 N CB 0.070 38.578 38.487 0.034 0.000 0.972 596 N HN 0.298 nan 8.380 nan 0.000 0.456 597 H N 0.101 119.194 119.070 0.038 0.000 2.380 597 H HA 0.318 4.873 4.556 -0.001 0.000 0.231 597 H C -1.972 173.266 175.328 -0.151 0.000 1.415 597 H CA -2.370 53.669 56.048 -0.015 0.000 1.433 597 H CB 1.003 30.801 29.762 0.060 0.000 1.544 597 H HN -0.107 nan 8.280 nan 0.000 0.503 598 P HA -0.191 nan 4.420 nan 0.000 0.216 598 P C 1.732 178.931 177.300 -0.169 0.000 1.150 598 P CA 1.226 64.071 63.100 -0.425 0.000 0.843 598 P CB 0.421 31.736 31.700 -0.641 0.000 0.787 599 Q N -1.054 118.749 119.800 0.005 0.000 2.124 599 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 599 Q C 2.056 177.894 176.000 -0.270 0.000 0.977 599 Q CA 1.554 57.364 55.803 0.012 0.000 0.850 599 Q CB -0.434 28.439 28.738 0.225 0.000 0.901 599 Q HN 0.088 nan 8.270 nan 0.000 0.429 600 M N 0.324 119.497 119.600 -0.711 0.000 2.132 600 M HA -0.100 4.380 4.480 -0.001 0.000 0.263 600 M C 1.672 177.573 176.300 -0.665 0.000 1.065 600 M CA 1.478 56.151 55.300 -1.045 0.000 1.122 600 M CB -0.197 31.336 32.600 -1.777 0.000 1.365 600 M HN 0.288 nan 8.290 nan 0.000 0.411 601 I N 0.198 120.540 120.570 -0.380 0.000 2.163 601 I HA -0.320 3.849 4.170 -0.001 0.000 0.243 601 I C 2.469 178.527 176.117 -0.099 0.000 1.085 601 I CA 1.329 62.561 61.300 -0.113 0.000 1.347 601 I CB -0.916 37.158 38.000 0.124 0.000 1.044 601 I HN 0.447 nan 8.210 nan 0.000 0.408 602 A N 0.768 123.537 122.820 -0.084 0.000 1.865 602 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 602 A C 2.416 179.924 177.584 -0.126 0.000 1.191 602 A CA 2.477 54.493 52.037 -0.034 0.000 0.623 602 A CB -1.222 17.789 19.000 0.020 0.000 0.826 602 A HN 0.383 nan 8.150 nan 0.000 0.444 603 V N -2.038 117.717 119.914 -0.263 0.000 2.626 603 V HA -0.133 3.986 4.120 -0.001 0.000 0.252 603 V C 2.218 178.235 176.094 -0.128 0.000 1.067 603 V CA 1.781 63.938 62.300 -0.238 0.000 1.081 603 V CB -0.901 30.640 31.823 -0.470 0.000 0.686 603 V HN 0.454 nan 8.190 nan 0.000 0.468 604 L N -0.223 120.874 121.223 -0.210 0.000 2.044 604 L HA -0.057 4.283 4.340 -0.001 0.000 0.205 604 L C 2.741 179.522 176.870 -0.148 0.000 1.075 604 L CA 1.339 56.097 54.840 -0.137 0.000 0.747 604 L CB -0.537 41.416 42.059 -0.178 0.000 0.903 604 L HN 0.234 nan 8.230 nan 0.000 0.435 605 V N 0.379 120.193 119.914 -0.168 0.000 2.287 605 V HA -0.357 3.762 4.120 -0.001 0.000 0.248 605 V C 2.191 178.197 176.094 -0.146 0.000 1.053 605 V CA 2.327 64.515 62.300 -0.187 0.000 1.027 605 V CB -0.514 31.206 31.823 -0.171 0.000 0.646 605 V HN 0.531 nan 8.190 nan 0.000 0.447 606 D N -0.178 120.149 120.400 -0.121 0.000 2.104 606 D HA -0.255 4.384 4.640 -0.001 0.000 0.194 606 D C 2.125 178.333 176.300 -0.153 0.000 0.994 606 D CA 1.579 55.509 54.000 -0.117 0.000 0.830 606 D CB -0.091 40.646 40.800 -0.105 0.000 0.959 606 D HN 0.252 nan 8.370 nan 0.000 0.452 607 K N -0.281 120.009 120.400 -0.183 0.000 2.097 607 K HA -0.012 4.307 4.320 -0.001 0.000 0.205 607 K C 2.080 178.578 176.600 -0.171 0.000 1.050 607 K CA 1.135 57.285 56.287 -0.227 0.000 0.938 607 K CB -0.199 32.141 32.500 -0.267 0.000 0.718 607 K HN 0.244 nan 8.250 nan 0.000 0.442 608 M N -0.396 119.102 119.600 -0.170 0.000 2.229 608 M HA -0.087 4.392 4.480 -0.001 0.000 0.264 608 M C 1.874 178.094 176.300 -0.134 0.000 1.063 608 M CA 1.339 56.530 55.300 -0.181 0.000 1.114 608 M CB -0.171 32.298 32.600 -0.217 0.000 1.387 608 M HN 0.107 nan 8.290 nan 0.000 0.420 609 I N -0.459 120.034 120.570 -0.128 0.000 2.233 609 I HA -0.240 3.929 4.170 -0.001 0.000 0.243 609 I C 2.438 178.495 176.117 -0.101 0.000 1.093 609 I CA 1.185 62.419 61.300 -0.110 0.000 1.380 609 I CB -0.276 37.660 38.000 -0.106 0.000 1.067 609 I HN 0.206 nan 8.210 nan 0.000 0.413 610 R N 0.142 120.579 120.500 -0.106 0.000 2.152 610 R HA -0.116 4.224 4.340 -0.001 0.000 0.232 610 R C 1.789 178.047 176.300 -0.071 0.000 1.117 610 R CA 1.853 57.895 56.100 -0.097 0.000 0.981 610 R CB -0.462 29.768 30.300 -0.116 0.000 0.870 610 R HN 0.464 nan 8.270 nan 0.000 0.451 611 T N -2.584 111.941 114.554 -0.048 0.000 3.145 611 T HA 0.117 4.467 4.350 -0.001 0.000 0.255 611 T C 0.298 175.088 174.700 0.151 0.000 1.039 611 T CA -0.376 61.749 62.100 0.042 0.000 0.928 611 T CB 0.330 69.242 68.868 0.073 0.000 1.029 611 T HN 0.205 nan 8.240 nan 0.000 0.554 612 Q N -0.215 119.600 119.800 0.026 0.000 2.494 612 Q HA -0.181 4.158 4.340 -0.001 0.000 0.266 612 Q C 0.873 176.869 176.000 -0.007 0.000 1.053 612 Q CA 0.832 56.640 55.803 0.009 0.000 1.029 612 Q CB -2.315 26.442 28.738 0.031 0.000 1.423 612 Q HN 0.623 nan 8.270 nan 0.000 0.516 613 I N -0.380 120.159 120.570 -0.050 0.000 2.315 613 I HA -0.125 4.045 4.170 -0.001 0.000 0.248 613 I C 1.336 177.424 176.117 -0.047 0.000 1.117 613 I CA 1.380 62.624 61.300 -0.092 0.000 1.404 613 I CB 0.121 37.984 38.000 -0.228 0.000 1.071 613 I HN 0.240 nan 8.210 nan 0.000 0.419 614 V N -1.855 118.015 119.914 -0.072 0.000 3.158 614 V HA 0.596 4.715 4.120 -0.001 0.000 0.311 614 V C -1.442 174.610 176.094 -0.069 0.000 1.181 614 V CA -1.025 61.236 62.300 -0.065 0.000 1.054 614 V CB 1.847 33.613 31.823 -0.095 0.000 1.085 614 V HN 0.167 nan 8.190 nan 0.000 0.446 615 D N -0.687 119.676 120.400 -0.062 0.000 2.467 615 D HA 0.417 5.057 4.640 -0.001 0.000 0.245 615 D C 1.058 177.316 176.300 -0.070 0.000 1.038 615 D CA -0.019 53.940 54.000 -0.068 0.000 1.038 615 D CB 1.129 41.895 40.800 -0.056 0.000 1.278 615 D HN 0.909 nan 8.370 nan 0.000 0.564 616 C N -1.149 118.105 119.300 -0.077 0.000 2.435 616 C HA 0.241 4.701 4.460 -0.001 0.000 0.279 616 C C 2.592 177.543 174.990 -0.065 0.000 1.321 616 C CA 0.711 59.681 59.018 -0.080 0.000 1.752 616 C CB -1.583 26.095 27.740 -0.103 0.000 1.959 616 C HN 0.650 nan 8.230 nan 0.000 0.500 617 A N 1.564 124.351 122.820 -0.056 0.000 1.933 617 A HA 0.217 4.537 4.320 -0.001 0.000 0.218 617 A C 2.580 180.158 177.584 -0.010 0.000 1.175 617 A CA 2.239 54.252 52.037 -0.040 0.000 0.628 617 A CB -1.155 17.822 19.000 -0.038 0.000 0.814 617 A HN 0.935 nan 8.150 nan 0.000 0.444 618 A N -0.602 122.211 122.820 -0.012 0.000 1.898 618 A HA 0.025 4.345 4.320 -0.001 0.000 0.216 618 A C 2.224 179.847 177.584 0.064 0.000 1.181 618 A CA 1.722 53.767 52.037 0.013 0.000 0.620 618 A CB -0.867 18.122 19.000 -0.018 0.000 0.819 618 A HN 0.366 nan 8.150 nan 0.000 0.442 619 V N -0.103 119.831 119.914 0.034 0.000 2.295 619 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 619 V C 3.070 179.264 176.094 0.167 0.000 1.049 619 V CA 1.894 64.259 62.300 0.108 0.000 1.024 619 V CB -1.247 30.590 31.823 0.022 0.000 0.648 619 V HN 0.612 nan 8.190 nan 0.000 0.447 620 A N 0.442 123.305 122.820 0.071 0.000 1.908 620 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 620 A C 2.080 179.781 177.584 0.194 0.000 1.181 620 A CA 2.145 54.238 52.037 0.093 0.000 0.627 620 A CB -0.701 18.311 19.000 0.020 0.000 0.818 620 A HN 0.601 nan 8.150 nan 0.000 0.445 621 N N -1.531 117.254 118.700 0.141 0.000 2.166 621 N HA -0.189 4.551 4.740 -0.001 0.000 0.186 621 N C 1.476 177.094 175.510 0.180 0.000 1.019 621 N CA 1.579 54.716 53.050 0.145 0.000 0.856 621 N CB -0.512 38.026 38.487 0.086 0.000 0.993 621 N HN 0.816 nan 8.380 nan 0.000 0.426 622 W N 2.212 123.499 121.300 -0.022 0.000 2.358 622 W HA -0.003 4.657 4.660 -0.001 0.000 0.303 622 W C 1.829 178.261 176.519 -0.144 0.000 1.208 622 W CA 0.659 57.963 57.345 -0.069 0.000 1.274 622 W CB -0.238 29.176 29.460 -0.077 0.000 1.138 622 W HN -0.122 nan 8.180 nan 0.000 0.515 623 I N 0.210 120.611 120.570 -0.281 0.000 2.208 623 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 623 I C 1.583 177.293 176.117 -0.679 0.000 1.097 623 I CA 1.689 62.553 61.300 -0.727 0.000 1.363 623 I CB -1.675 35.888 38.000 -0.729 0.000 1.051 623 I HN -0.045 nan 8.210 nan 0.000 0.413 624 F N 1.022 120.842 119.950 -0.217 0.000 2.692 624 F HA 0.080 4.607 4.527 -0.001 0.000 0.303 624 F C 1.578 177.262 175.800 -0.193 0.000 1.114 624 F CA -0.375 57.535 58.000 -0.151 0.000 1.361 624 F CB -0.327 38.592 39.000 -0.135 0.000 1.063 624 F HN -0.053 nan 8.300 nan 0.000 0.550 625 S N -0.679 114.944 115.700 -0.128 0.000 2.601 625 S HA 0.118 4.588 4.470 -0.001 0.000 0.271 625 S C 1.559 176.077 174.600 -0.137 0.000 1.305 625 S CA -0.114 58.023 58.200 -0.105 0.000 1.022 625 S CB 1.467 64.610 63.200 -0.095 0.000 0.940 625 S HN 0.290 nan 8.310 nan 0.000 0.525 626 S N 1.411 117.071 115.700 -0.067 0.000 2.383 626 S HA -0.218 4.251 4.470 -0.001 0.000 0.229 626 S C 1.313 175.886 174.600 -0.046 0.000 1.030 626 S CA 1.484 59.652 58.200 -0.052 0.000 1.002 626 S CB -0.917 62.275 63.200 -0.013 0.000 0.829 626 S HN 0.819 nan 8.310 nan 0.000 0.467 627 E N 0.872 121.048 120.200 -0.041 0.000 2.204 627 E HA 0.064 4.414 4.350 -0.001 0.000 0.195 627 E C 1.496 178.032 176.600 -0.106 0.000 0.990 627 E CA 0.745 57.148 56.400 0.006 0.000 0.821 627 E CB -0.281 29.468 29.700 0.082 0.000 0.750 627 E HN 0.413 nan 8.360 nan 0.000 0.477 628 L N -0.198 120.831 121.223 -0.324 0.000 2.607 628 L HA 0.134 4.473 4.340 -0.001 0.000 0.228 628 L C 1.641 178.420 176.870 -0.151 0.000 1.123 628 L CA 0.542 55.114 54.840 -0.445 0.000 0.890 628 L CB 0.071 41.636 42.059 -0.825 0.000 1.103 628 L HN -0.044 nan 8.230 nan 0.000 0.468 629 S N -0.170 115.486 115.700 -0.074 0.000 2.374 629 S HA -0.217 4.252 4.470 -0.001 0.000 0.227 629 S C 2.038 176.709 174.600 0.119 0.000 1.037 629 S CA 1.411 59.613 58.200 0.002 0.000 1.024 629 S CB -0.193 62.983 63.200 -0.040 0.000 0.861 629 S HN 0.441 nan 8.310 nan 0.000 0.456 630 R N 0.718 121.286 120.500 0.113 0.000 2.235 630 R HA 0.046 4.385 4.340 -0.001 0.000 0.213 630 R C 0.712 177.127 176.300 0.191 0.000 1.059 630 R CA 0.959 57.153 56.100 0.156 0.000 0.997 630 R CB -0.055 30.332 30.300 0.145 0.000 0.884 630 R HN 0.409 nan 8.270 nan 0.000 0.462 631 D N -0.599 119.901 120.400 0.166 0.000 2.398 631 D HA -0.028 4.611 4.640 -0.001 0.000 0.210 631 D C 0.969 177.254 176.300 -0.024 0.000 1.094 631 D CA -0.018 54.063 54.000 0.136 0.000 0.839 631 D CB 0.179 41.133 40.800 0.257 0.000 0.963 631 D HN 0.066 nan 8.370 nan 0.000 0.506 632 F N 2.566 122.453 119.950 -0.106 0.000 2.192 632 F HA -0.229 4.298 4.527 -0.001 0.000 0.301 632 F C 2.371 178.210 175.800 0.065 0.000 1.079 632 F CA 1.686 59.605 58.000 -0.134 0.000 1.303 632 F CB -0.133 38.895 39.000 0.047 0.000 1.024 632 F HN -0.059 nan 8.300 nan 0.000 0.494 633 T N -2.131 112.523 114.554 0.167 0.000 3.081 633 T HA 0.163 4.513 4.350 -0.001 0.000 0.250 633 T C 0.917 175.685 174.700 0.114 0.000 1.100 633 T CA -0.357 61.823 62.100 0.133 0.000 1.038 633 T CB -0.355 68.598 68.868 0.142 0.000 0.962 633 T HN 0.081 nan 8.240 nan 0.000 0.516 634 R N 0.350 120.860 120.500 0.017 0.000 2.594 634 R HA 0.382 4.721 4.340 -0.001 0.000 0.272 634 R C 0.890 177.194 176.300 0.007 0.000 1.074 634 R CA -0.681 55.434 56.100 0.026 0.000 1.105 634 R CB 0.490 30.830 30.300 0.067 0.000 1.008 634 R HN 0.019 nan 8.270 nan 0.000 0.472 635 L N 2.389 123.692 121.223 0.134 0.000 2.043 635 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 635 L C 2.110 179.047 176.870 0.112 0.000 1.075 635 L CA 1.854 56.803 54.840 0.181 0.000 0.752 635 L CB -0.685 41.486 42.059 0.187 0.000 0.891 635 L HN 0.744 nan 8.230 nan 0.000 0.432 636 F N -2.150 117.841 119.950 0.068 0.000 2.161 636 F HA -0.160 4.367 4.527 -0.001 0.000 0.300 636 F C 2.110 177.864 175.800 -0.077 0.000 1.089 636 F CA 1.217 59.237 58.000 0.033 0.000 1.282 636 F CB -1.349 37.689 39.000 0.063 0.000 1.010 636 F HN -0.146 nan 8.300 nan 0.000 0.485 637 V N 0.316 119.562 119.914 -1.114 0.000 2.295 637 V HA -0.299 3.821 4.120 -0.001 0.000 0.246 637 V C 2.096 177.630 176.094 -0.934 0.000 1.049 637 V CA 2.231 63.812 62.300 -1.199 0.000 1.024 637 V CB -1.009 29.822 31.823 -1.654 0.000 0.648 637 V HN 0.574 nan 8.190 nan 0.000 0.447 638 W N -0.003 121.130 121.300 -0.278 0.000 2.467 638 W HA -0.008 4.652 4.660 -0.001 0.000 0.275 638 W C 2.405 178.982 176.519 0.096 0.000 1.239 638 W CA 0.671 57.965 57.345 -0.084 0.000 1.266 638 W CB -0.250 29.181 29.460 -0.047 0.000 1.112 638 W HN 0.209 nan 8.180 nan 0.000 0.576 639 E N 0.727 121.045 120.200 0.196 0.000 2.077 639 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 639 E C 1.985 178.678 176.600 0.154 0.000 0.989 639 E CA 1.527 58.046 56.400 0.199 0.000 0.800 639 E CB -0.345 29.465 29.700 0.182 0.000 0.746 639 E HN 0.277 nan 8.360 nan 0.000 0.452 640 I N 0.433 121.054 120.570 0.086 0.000 2.202 640 I HA -0.232 3.938 4.170 -0.001 0.000 0.242 640 I C 2.363 178.490 176.117 0.017 0.000 1.091 640 I CA 0.424 61.766 61.300 0.070 0.000 1.368 640 I CB -0.133 37.941 38.000 0.123 0.000 1.058 640 I HN 0.172 nan 8.210 nan 0.000 0.410 641 L N 0.474 121.652 121.223 -0.074 0.000 2.012 641 L HA -0.269 4.071 4.340 -0.001 0.000 0.210 641 L C 2.631 179.434 176.870 -0.112 0.000 1.073 641 L CA 2.077 56.830 54.840 -0.145 0.000 0.748 641 L CB -0.935 40.970 42.059 -0.257 0.000 0.891 641 L HN 0.266 nan 8.230 nan 0.000 0.431 642 H N -1.696 117.440 119.070 0.109 0.000 2.395 642 H HA -0.060 4.495 4.556 -0.001 0.000 0.299 642 H C 2.444 177.842 175.328 0.117 0.000 1.070 642 H CA 1.369 57.517 56.048 0.167 0.000 1.356 642 H CB -0.120 29.778 29.762 0.225 0.000 1.401 642 H HN 0.457 nan 8.280 nan 0.000 0.524 643 S N 0.047 115.857 115.700 0.183 0.000 2.382 643 S HA -0.130 4.340 4.470 -0.001 0.000 0.228 643 S C 2.122 176.750 174.600 0.047 0.000 1.027 643 S CA 1.667 59.933 58.200 0.110 0.000 0.991 643 S CB -0.180 63.068 63.200 0.080 0.000 0.823 643 S HN 0.382 nan 8.310 nan 0.000 0.469 644 T N 2.279 116.837 114.554 0.006 0.000 2.737 644 T HA 0.068 4.418 4.350 -0.001 0.000 0.265 644 T C 1.707 176.357 174.700 -0.083 0.000 1.038 644 T CA 1.463 63.534 62.100 -0.048 0.000 1.144 644 T CB -0.338 68.488 68.868 -0.070 0.000 0.866 644 T HN 0.399 nan 8.240 nan 0.000 0.434 645 I N 0.696 121.189 120.570 -0.127 0.000 2.179 645 I HA -0.194 3.976 4.170 -0.001 0.000 0.242 645 I C 2.822 178.888 176.117 -0.084 0.000 1.088 645 I CA 1.355 62.511 61.300 -0.239 0.000 1.357 645 I CB -0.327 37.398 38.000 -0.459 0.000 1.051 645 I HN 0.131 nan 8.210 nan 0.000 0.409 646 R N 0.734 121.267 120.500 0.055 0.000 2.091 646 R HA -0.184 4.156 4.340 -0.001 0.000 0.238 646 R C 2.323 178.668 176.300 0.075 0.000 1.136 646 R CA 1.357 57.529 56.100 0.121 0.000 0.959 646 R CB -0.284 30.113 30.300 0.161 0.000 0.856 646 R HN 0.373 nan 8.270 nan 0.000 0.437 647 K N 0.094 120.519 120.400 0.041 0.000 2.057 647 K HA -0.157 4.163 4.320 -0.001 0.000 0.207 647 K C 2.081 178.712 176.600 0.052 0.000 1.049 647 K CA 1.462 57.769 56.287 0.033 0.000 0.931 647 K CB -0.124 32.373 32.500 -0.005 0.000 0.714 647 K HN 0.016 nan 8.250 nan 0.000 0.440 648 M N 1.774 121.386 119.600 0.020 0.000 2.086 648 M HA -0.191 4.289 4.480 -0.001 0.000 0.261 648 M C 1.276 177.646 176.300 0.117 0.000 1.067 648 M CA 1.844 57.172 55.300 0.047 0.000 1.116 648 M CB -0.367 32.222 32.600 -0.018 0.000 1.348 648 M HN 0.143 nan 8.290 nan 0.000 0.407 649 N N -0.499 118.262 118.700 0.102 0.000 2.069 649 N HA -0.190 4.550 4.740 -0.001 0.000 0.191 649 N C 1.559 177.135 175.510 0.110 0.000 1.031 649 N CA 1.507 54.634 53.050 0.128 0.000 0.852 649 N CB -0.243 38.328 38.487 0.140 0.000 1.018 649 N HN 0.407 nan 8.380 nan 0.000 0.423 650 K N 0.256 120.718 120.400 0.103 0.000 2.147 650 K HA -0.164 4.155 4.320 -0.001 0.000 0.205 650 K C 1.987 178.641 176.600 0.091 0.000 1.049 650 K CA 0.772 57.110 56.287 0.085 0.000 0.936 650 K CB -0.282 32.264 32.500 0.077 0.000 0.722 650 K HN 0.449 nan 8.250 nan 0.000 0.446 651 H N 0.868 119.954 119.070 0.026 0.000 2.353 651 H HA -0.079 4.477 4.556 -0.001 0.000 0.300 651 H C 1.945 177.290 175.328 0.029 0.000 1.090 651 H CA 1.291 57.352 56.048 0.021 0.000 1.327 651 H CB 0.207 29.977 29.762 0.014 0.000 1.383 651 H HN -0.101 nan 8.280 nan 0.000 0.508 652 V N 1.616 121.541 119.914 0.018 0.000 2.287 652 V HA -0.281 3.838 4.120 -0.001 0.000 0.248 652 V C 3.047 179.111 176.094 -0.050 0.000 1.053 652 V CA 1.682 63.967 62.300 -0.024 0.000 1.027 652 V CB -0.663 31.206 31.823 0.076 0.000 0.646 652 V HN 0.347 nan 8.190 nan 0.000 0.447 653 L N -0.208 121.009 121.223 -0.009 0.000 2.042 653 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 653 L C 2.596 179.443 176.870 -0.038 0.000 1.076 653 L CA 2.134 56.968 54.840 -0.010 0.000 0.749 653 L CB -0.691 41.376 42.059 0.014 0.000 0.893 653 L HN 0.349 nan 8.230 nan 0.000 0.432 654 K N 0.966 121.331 120.400 -0.059 0.000 2.009 654 K HA -0.194 4.125 4.320 -0.001 0.000 0.210 654 K C 2.072 178.613 176.600 -0.099 0.000 1.049 654 K CA 1.598 57.844 56.287 -0.068 0.000 0.929 654 K CB -0.111 32.351 32.500 -0.063 0.000 0.714 654 K HN 0.230 nan 8.250 nan 0.000 0.440 655 I N 0.850 121.310 120.570 -0.183 0.000 2.315 655 I HA -0.257 3.913 4.170 -0.001 0.000 0.248 655 I C 2.505 178.572 176.117 -0.083 0.000 1.117 655 I CA 1.155 62.360 61.300 -0.157 0.000 1.404 655 I CB -0.337 37.517 38.000 -0.243 0.000 1.071 655 I HN 0.334 nan 8.210 nan 0.000 0.419 656 Q N 0.843 120.602 119.800 -0.068 0.000 2.096 656 Q HA -0.265 4.075 4.340 -0.001 0.000 0.204 656 Q C 2.264 178.249 176.000 -0.025 0.000 0.982 656 Q CA 1.680 57.463 55.803 -0.033 0.000 0.850 656 Q CB -0.109 28.617 28.738 -0.019 0.000 0.901 656 Q HN 0.390 nan 8.270 nan 0.000 0.422 657 K N 0.973 121.356 120.400 -0.028 0.000 2.002 657 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 657 K C 1.780 178.370 176.600 -0.017 0.000 1.048 657 K CA 1.649 57.925 56.287 -0.018 0.000 0.930 657 K CB 0.061 32.551 32.500 -0.016 0.000 0.714 657 K HN 0.185 nan 8.250 nan 0.000 0.438 658 E N 0.652 120.838 120.200 -0.024 0.000 2.070 658 E HA -0.253 4.097 4.350 -0.001 0.000 0.197 658 E C 2.059 178.651 176.600 -0.014 0.000 1.004 658 E CA 1.460 57.849 56.400 -0.018 0.000 0.805 658 E CB -0.231 29.456 29.700 -0.023 0.000 0.744 658 E HN 0.215 nan 8.360 nan 0.000 0.451 659 L N 1.597 122.810 121.223 -0.017 0.000 2.012 659 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 659 L C 2.357 179.223 176.870 -0.007 0.000 1.073 659 L CA 2.014 56.848 54.840 -0.010 0.000 0.748 659 L CB -0.369 41.683 42.059 -0.011 0.000 0.891 659 L HN 0.116 nan 8.230 nan 0.000 0.431 660 E N -0.459 119.736 120.200 -0.008 0.000 2.051 660 E HA -0.281 4.069 4.350 -0.001 0.000 0.192 660 E C 1.981 178.578 176.600 -0.005 0.000 0.991 660 E CA 1.649 58.046 56.400 -0.006 0.000 0.799 660 E CB -0.187 29.510 29.700 -0.006 0.000 0.748 660 E HN 0.679 nan 8.360 nan 0.000 0.449 661 E N -0.060 120.137 120.200 -0.006 0.000 2.160 661 E HA -0.203 4.147 4.350 -0.001 0.000 0.195 661 E C 1.889 178.487 176.600 -0.003 0.000 0.991 661 E CA 0.986 57.383 56.400 -0.004 0.000 0.810 661 E CB -0.121 29.576 29.700 -0.005 0.000 0.742 661 E HN 0.358 nan 8.360 nan 0.000 0.466 662 A N 1.242 124.060 122.820 -0.003 0.000 2.119 662 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 662 A C 1.972 179.556 177.584 -0.001 0.000 1.152 662 A CA 1.217 53.253 52.037 -0.002 0.000 0.708 662 A CB -0.169 18.830 19.000 -0.002 0.000 0.805 662 A HN 0.044 nan 8.150 nan 0.000 0.460 663 K N 0.908 121.307 120.400 -0.002 0.000 2.057 663 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 663 K C 1.612 178.211 176.600 -0.002 0.000 1.049 663 K CA 2.042 58.328 56.287 -0.001 0.000 0.931 663 K CB -0.268 32.231 32.500 -0.002 0.000 0.714 663 K HN 0.585 nan 8.250 nan 0.000 0.440 664 E N 0.534 120.733 120.200 -0.002 0.000 2.107 664 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 664 E C 0.693 177.292 176.600 -0.001 0.000 0.982 664 E CA 0.522 56.920 56.400 -0.002 0.000 0.809 664 E CB -0.044 29.654 29.700 -0.002 0.000 0.756 664 E HN 0.264 nan 8.360 nan 0.000 0.459 691 Q N 0.738 120.540 119.800 0.005 0.000 2.530 691 Q HA 0.239 4.578 4.340 -0.001 0.000 0.198 691 Q C 2.018 178.020 176.000 0.004 0.000 0.956 691 Q CA 1.152 56.958 55.803 0.004 0.000 0.870 691 Q CB -0.219 28.521 28.738 0.003 0.000 1.050 691 Q HN 0.255 nan 8.270 nan 0.000 0.604 692 I N 1.239 121.811 120.570 0.003 0.000 2.236 692 I HA -0.288 3.881 4.170 -0.001 0.000 0.249 692 I C 1.985 178.104 176.117 0.004 0.000 1.102 692 I CA 2.209 63.510 61.300 0.002 0.000 1.365 692 I CB -0.191 37.810 38.000 0.002 0.000 1.051 692 I HN 0.545 nan 8.210 nan 0.000 0.420 693 E N -0.009 120.194 120.200 0.005 0.000 2.076 693 E HA -0.180 4.170 4.350 -0.001 0.000 0.190 693 E C 2.280 178.885 176.600 0.008 0.000 0.979 693 E CA 0.231 56.635 56.400 0.007 0.000 0.807 693 E CB -0.135 29.569 29.700 0.007 0.000 0.761 693 E HN 0.374 nan 8.360 nan 0.000 0.454 694 R N 0.496 121.002 120.500 0.008 0.000 2.120 694 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 694 R C 2.304 178.611 176.300 0.011 0.000 1.123 694 R CA 0.556 56.662 56.100 0.010 0.000 0.975 694 R CB -0.431 29.875 30.300 0.010 0.000 0.866 694 R HN 0.241 nan 8.270 nan 0.000 0.446 695 L N 0.841 122.068 121.223 0.007 0.000 2.217 695 L HA -0.066 4.273 4.340 -0.001 0.000 0.211 695 L C 2.250 179.122 176.870 0.004 0.000 1.107 695 L CA 1.419 56.261 54.840 0.004 0.000 0.783 695 L CB -0.335 41.723 42.059 -0.001 0.000 0.919 695 L HN 0.099 nan 8.230 nan 0.000 0.442 696 Q N -0.771 119.033 119.800 0.007 0.000 2.291 696 Q HA -0.205 4.134 4.340 -0.001 0.000 0.205 696 Q C 1.879 177.889 176.000 0.015 0.000 0.970 696 Q CA 1.447 57.255 55.803 0.009 0.000 0.876 696 Q CB 0.144 28.888 28.738 0.010 0.000 0.935 696 Q HN 0.565 nan 8.270 nan 0.000 0.455 697 E N -0.377 119.833 120.200 0.017 0.000 2.158 697 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 697 E C 1.685 178.302 176.600 0.028 0.000 0.982 697 E CA 0.575 56.988 56.400 0.022 0.000 0.823 697 E CB 0.193 29.906 29.700 0.021 0.000 0.766 697 E HN 0.178 nan 8.360 nan 0.000 0.468 698 K N 0.619 121.034 120.400 0.025 0.000 2.148 698 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 698 K C 2.354 178.972 176.600 0.030 0.000 1.050 698 K CA 1.258 57.566 56.287 0.034 0.000 0.942 698 K CB 0.004 32.519 32.500 0.025 0.000 0.724 698 K HN 0.128 nan 8.250 nan 0.000 0.446 699 V N 0.302 120.223 119.914 0.013 0.000 2.453 699 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 699 V C 1.846 177.963 176.094 0.037 0.000 1.048 699 V CA 1.601 63.907 62.300 0.010 0.000 1.049 699 V CB -0.522 31.301 31.823 0.001 0.000 0.672 699 V HN 0.304 nan 8.190 nan 0.000 0.457 700 E N 2.600 122.824 120.200 0.039 0.000 2.150 700 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 700 E C 2.273 178.907 176.600 0.057 0.000 0.985 700 E CA 1.602 58.032 56.400 0.048 0.000 0.814 700 E CB -0.572 29.152 29.700 0.040 0.000 0.752 700 E HN 0.803 nan 8.360 nan 0.000 0.466 701 S N 1.568 117.302 115.700 0.057 0.000 2.371 701 S HA 0.003 4.472 4.470 -0.001 0.000 0.224 701 S C 2.349 177.000 174.600 0.085 0.000 1.029 701 S CA 0.640 58.877 58.200 0.063 0.000 0.978 701 S CB -0.215 63.022 63.200 0.061 0.000 0.833 701 S HN 0.359 nan 8.310 nan 0.000 0.466 702 A N 1.783 124.668 122.820 0.110 0.000 1.898 702 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 702 A C 2.342 180.007 177.584 0.135 0.000 1.181 702 A CA 1.429 53.562 52.037 0.159 0.000 0.620 702 A CB -0.854 18.242 19.000 0.160 0.000 0.819 702 A HN 0.641 nan 8.150 nan 0.000 0.442 703 Q N -0.390 119.478 119.800 0.112 0.000 2.124 703 Q HA -0.113 4.227 4.340 -0.001 0.000 0.202 703 Q C 2.409 178.487 176.000 0.130 0.000 0.977 703 Q CA 1.644 57.528 55.803 0.135 0.000 0.850 703 Q CB -0.192 28.617 28.738 0.119 0.000 0.901 703 Q HN 0.623 nan 8.270 nan 0.000 0.429 704 S N 0.635 116.388 115.700 0.089 0.000 2.355 704 S HA -0.182 4.288 4.470 -0.001 0.000 0.222 704 S C 1.815 176.442 174.600 0.046 0.000 1.031 704 S CA 1.077 59.311 58.200 0.057 0.000 0.993 704 S CB -0.144 63.082 63.200 0.043 0.000 0.859 704 S HN 0.378 nan 8.310 nan 0.000 0.453 705 E N 0.953 121.187 120.200 0.056 0.000 2.085 705 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 705 E C 2.228 178.853 176.600 0.041 0.000 0.994 705 E CA 1.262 57.683 56.400 0.035 0.000 0.801 705 E CB -0.129 29.592 29.700 0.034 0.000 0.743 705 E HN 0.563 nan 8.360 nan 0.000 0.453 706 Q N 0.710 120.571 119.800 0.102 0.000 2.016 706 Q HA -0.232 4.108 4.340 -0.001 0.000 0.200 706 Q C 2.210 178.346 176.000 0.225 0.000 0.978 706 Q CA 1.789 57.696 55.803 0.172 0.000 0.833 706 Q CB -0.083 28.813 28.738 0.262 0.000 0.895 706 Q HN 0.070 nan 8.270 nan 0.000 0.427 707 K N 0.154 120.626 120.400 0.121 0.000 2.063 707 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 707 K C 1.587 178.110 176.600 -0.127 0.000 1.048 707 K CA 1.896 58.044 56.287 -0.233 0.000 0.928 707 K CB -0.086 32.197 32.500 -0.361 0.000 0.713 707 K HN 0.356 nan 8.250 nan 0.000 0.442 708 N N 0.475 119.145 118.700 -0.050 0.000 2.188 708 N HA -0.164 4.576 4.740 -0.001 0.000 0.184 708 N C 1.698 177.179 175.510 -0.048 0.000 1.018 708 N CA 0.721 53.747 53.050 -0.041 0.000 0.858 708 N CB -0.099 38.370 38.487 -0.029 0.000 0.989 708 N HN 0.072 nan 8.380 nan 0.000 0.426 709 L N 0.720 121.900 121.223 -0.071 0.000 1.989 709 L HA -0.136 4.204 4.340 -0.001 0.000 0.211 709 L C 1.606 178.325 176.870 -0.251 0.000 1.071 709 L CA 1.705 56.435 54.840 -0.183 0.000 0.749 709 L CB -0.849 41.040 42.059 -0.283 0.000 0.890 709 L HN 0.074 nan 8.230 nan 0.000 0.431 710 F N -1.393 118.478 119.950 -0.130 0.000 2.134 710 F HA -0.233 4.294 4.527 -0.001 0.000 0.299 710 F C 2.224 177.946 175.800 -0.131 0.000 1.097 710 F CA 0.968 58.843 58.000 -0.209 0.000 1.264 710 F CB -0.565 38.433 39.000 -0.002 0.000 1.001 710 F HN 0.095 nan 8.300 nan 0.000 0.479 711 L N -0.329 120.981 121.223 0.145 0.000 2.042 711 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 711 L C 2.385 179.292 176.870 0.062 0.000 1.076 711 L CA 1.313 56.241 54.840 0.147 0.000 0.749 711 L CB -1.154 40.934 42.059 0.048 0.000 0.893 711 L HN -0.037 nan 8.230 nan 0.000 0.432 712 V N -0.630 119.267 119.914 -0.030 0.000 2.307 712 V HA -0.279 3.840 4.120 -0.001 0.000 0.245 712 V C 2.410 178.416 176.094 -0.147 0.000 1.045 712 V CA 1.685 63.936 62.300 -0.081 0.000 1.024 712 V CB -0.317 31.455 31.823 -0.084 0.000 0.651 712 V HN 0.313 nan 8.190 nan 0.000 0.449 713 I N -0.806 119.661 120.570 -0.172 0.000 2.163 713 I HA -0.267 3.902 4.170 -0.001 0.000 0.243 713 I C 2.363 178.449 176.117 -0.052 0.000 1.085 713 I CA 1.835 63.024 61.300 -0.186 0.000 1.347 713 I CB -0.467 37.403 38.000 -0.216 0.000 1.044 713 I HN 0.214 nan 8.210 nan 0.000 0.408 714 F N 0.625 120.676 119.950 0.168 0.000 2.134 714 F HA -0.236 4.290 4.527 -0.001 0.000 0.299 714 F C 2.699 178.521 175.800 0.037 0.000 1.097 714 F CA 1.317 59.452 58.000 0.225 0.000 1.264 714 F CB -1.046 38.111 39.000 0.262 0.000 1.001 714 F HN 0.152 nan 8.300 nan 0.000 0.479 715 Q N 0.767 120.628 119.800 0.102 0.000 2.061 715 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 715 Q C 2.370 178.300 176.000 -0.116 0.000 0.984 715 Q CA 1.451 57.233 55.803 -0.035 0.000 0.846 715 Q CB -0.094 28.608 28.738 -0.059 0.000 0.902 715 Q HN 0.224 nan 8.270 nan 0.000 0.421 716 R N -0.310 119.999 120.500 -0.318 0.000 2.091 716 R HA -0.120 4.220 4.340 -0.001 0.000 0.238 716 R C 2.293 178.335 176.300 -0.428 0.000 1.136 716 R CA 1.055 56.787 56.100 -0.614 0.000 0.959 716 R CB -1.260 28.113 30.300 -1.545 0.000 0.856 716 R HN 0.290 nan 8.270 nan 0.000 0.437 717 F N 1.065 120.871 119.950 -0.241 0.000 2.102 717 F HA -0.109 4.417 4.527 -0.001 0.000 0.298 717 F C 2.488 178.367 175.800 0.131 0.000 1.105 717 F CA 1.015 59.083 58.000 0.113 0.000 1.239 717 F CB -0.620 38.545 39.000 0.275 0.000 0.991 717 F HN -0.109 nan 8.300 nan 0.000 0.474 718 I N -0.737 119.994 120.570 0.268 0.000 2.163 718 I HA -0.397 3.773 4.170 -0.001 0.000 0.243 718 I C 2.599 178.790 176.117 0.123 0.000 1.085 718 I CA 1.599 62.989 61.300 0.150 0.000 1.347 718 I CB -0.420 37.566 38.000 -0.023 0.000 1.044 718 I HN 0.191 nan 8.210 nan 0.000 0.408 719 M N 0.942 120.577 119.600 0.058 0.000 2.065 719 M HA -0.237 4.242 4.480 -0.001 0.000 0.259 719 M C 2.375 178.734 176.300 0.097 0.000 1.069 719 M CA 2.154 57.479 55.300 0.041 0.000 1.110 719 M CB -0.208 32.379 32.600 -0.022 0.000 1.328 719 M HN 0.305 nan 8.290 nan 0.000 0.405 720 I N -1.774 118.878 120.570 0.136 0.000 2.439 720 I HA -0.190 3.979 4.170 -0.001 0.000 0.251 720 I C 1.785 178.129 176.117 0.378 0.000 1.139 720 I CA 1.147 62.578 61.300 0.219 0.000 1.438 720 I CB -0.534 37.611 38.000 0.241 0.000 1.085 720 I HN 0.298 nan 8.210 nan 0.000 0.427 721 L N 1.049 122.517 121.223 0.408 0.000 2.072 721 L HA -0.097 4.242 4.340 -0.001 0.000 0.205 721 L C 2.728 179.819 176.870 0.368 0.000 1.079 721 L CA 1.617 56.744 54.840 0.478 0.000 0.752 721 L CB -0.854 41.464 42.059 0.431 0.000 0.906 721 L HN 0.239 nan 8.230 nan 0.000 0.436 722 T N -0.780 113.921 114.554 0.244 0.000 2.684 722 T HA -0.270 4.080 4.350 -0.001 0.000 0.267 722 T C 1.761 176.536 174.700 0.125 0.000 1.036 722 T CA 1.751 63.946 62.100 0.158 0.000 1.148 722 T CB -0.159 68.771 68.868 0.103 0.000 0.863 722 T HN 0.410 nan 8.240 nan 0.000 0.436 723 E N -0.011 120.263 120.200 0.124 0.000 2.118 723 E HA -0.266 4.083 4.350 -0.001 0.000 0.195 723 E C 2.025 178.664 176.600 0.065 0.000 0.992 723 E CA 1.486 57.927 56.400 0.068 0.000 0.804 723 E CB -0.128 29.599 29.700 0.046 0.000 0.741 723 E HN 0.719 nan 8.360 nan 0.000 0.458 724 H N 0.081 119.185 119.070 0.056 0.000 2.333 724 H HA 0.006 4.562 4.556 -0.001 0.000 0.302 724 H C 2.079 177.419 175.328 0.019 0.000 1.075 724 H CA 1.684 57.752 56.048 0.034 0.000 1.348 724 H CB -0.174 29.720 29.762 0.218 0.000 1.393 724 H HN 0.139 nan 8.280 nan 0.000 0.509 725 L N -0.374 120.868 121.223 0.032 0.000 2.046 725 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 725 L C 2.540 179.333 176.870 -0.129 0.000 1.077 725 L CA 1.087 55.859 54.840 -0.112 0.000 0.747 725 L CB -0.426 41.629 42.059 -0.005 0.000 0.896 725 L HN 0.229 nan 8.230 nan 0.000 0.432 726 V N -0.034 119.846 119.914 -0.057 0.000 2.295 726 V HA -0.314 3.805 4.120 -0.001 0.000 0.246 726 V C 2.687 178.729 176.094 -0.087 0.000 1.049 726 V CA 2.103 64.373 62.300 -0.050 0.000 1.024 726 V CB -0.596 31.216 31.823 -0.018 0.000 0.648 726 V HN 0.468 nan 8.190 nan 0.000 0.447 727 R N -0.825 119.605 120.500 -0.116 0.000 2.120 727 R HA -0.166 4.174 4.340 -0.001 0.000 0.234 727 R C 2.188 178.388 176.300 -0.166 0.000 1.123 727 R CA 2.024 58.046 56.100 -0.130 0.000 0.975 727 R CB -0.544 29.676 30.300 -0.133 0.000 0.866 727 R HN 0.550 nan 8.270 nan 0.000 0.446 728 C N 0.698 119.844 119.300 -0.256 0.000 2.450 728 C HA 0.006 4.466 4.460 -0.001 0.000 0.279 728 C C 2.533 177.437 174.990 -0.143 0.000 1.335 728 C CA 0.425 59.297 59.018 -0.243 0.000 1.749 728 C CB -0.433 27.083 27.740 -0.372 0.000 1.963 728 C HN 0.593 nan 8.230 nan 0.000 0.501 729 E N 1.045 121.173 120.200 -0.120 0.000 2.028 729 E HA -0.146 4.203 4.350 -0.001 0.000 0.190 729 E C 2.044 178.611 176.600 -0.055 0.000 0.984 729 E CA 1.636 57.995 56.400 -0.070 0.000 0.800 729 E CB -0.462 29.209 29.700 -0.049 0.000 0.758 729 E HN 0.488 nan 8.360 nan 0.000 0.448 730 T N 1.738 116.258 114.554 -0.057 0.000 2.653 730 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 730 T C 1.047 175.720 174.700 -0.044 0.000 1.035 730 T CA 1.981 64.054 62.100 -0.045 0.000 1.154 730 T CB -0.298 68.541 68.868 -0.047 0.000 0.862 730 T HN 0.174 nan 8.240 nan 0.000 0.441 731 D N -0.186 120.180 120.400 -0.056 0.000 2.349 731 D HA 0.254 4.893 4.640 -0.001 0.000 0.215 731 D C 1.452 177.727 176.300 -0.042 0.000 1.016 731 D CA 0.635 54.607 54.000 -0.047 0.000 0.870 731 D CB -0.369 40.398 40.800 -0.054 0.000 0.917 731 D HN 0.476 nan 8.370 nan 0.000 0.524 732 G N 0.934 109.706 108.800 -0.046 0.000 2.221 732 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.265 732 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.265 732 G C 0.401 175.279 174.900 -0.037 0.000 1.041 732 G CA 0.692 45.770 45.100 -0.037 0.000 0.807 732 G HN 0.313 nan 8.290 nan 0.000 0.502 733 T N -0.133 114.388 114.554 -0.055 0.000 2.927 733 T HA 0.588 4.937 4.350 -0.001 0.000 0.281 733 T C 0.746 175.414 174.700 -0.053 0.000 0.998 733 T CA 0.274 62.346 62.100 -0.045 0.000 1.019 733 T CB 1.671 70.511 68.868 -0.048 0.000 1.061 733 T HN 0.526 nan 8.240 nan 0.000 0.518 734 S N 0.579 116.266 115.700 -0.021 0.000 2.549 734 S HA 0.069 4.538 4.470 -0.001 0.000 0.286 734 S C 1.402 175.988 174.600 -0.023 0.000 1.314 734 S CA -0.645 57.549 58.200 -0.010 0.000 1.062 734 S CB 0.120 63.335 63.200 0.024 0.000 0.865 734 S HN 0.473 nan 8.310 nan 0.000 0.498 735 V N 5.972 125.846 119.914 -0.067 0.000 2.379 735 V HA -0.047 4.073 4.120 -0.001 0.000 0.245 735 V C 1.135 177.202 176.094 -0.045 0.000 1.044 735 V CA 1.248 63.464 62.300 -0.140 0.000 1.036 735 V CB -0.445 31.192 31.823 -0.310 0.000 0.664 735 V HN 0.746 nan 8.190 nan 0.000 0.453 736 L N 2.808 124.029 121.223 -0.003 0.000 2.451 736 L HA 0.162 4.502 4.340 -0.001 0.000 0.272 736 L C 0.605 177.587 176.870 0.185 0.000 1.258 736 L CA -0.048 54.862 54.840 0.117 0.000 1.132 736 L CB -1.021 41.108 42.059 0.115 0.000 1.361 736 L HN 0.409 nan 8.230 nan 0.000 0.438 737 T N -1.871 112.850 114.554 0.277 0.000 2.952 737 T HA 0.428 4.778 4.350 -0.001 0.000 0.286 737 T C -1.915 172.944 174.700 0.266 0.000 1.024 737 T CA -2.093 60.165 62.100 0.264 0.000 1.029 737 T CB 2.050 71.111 68.868 0.321 0.000 1.094 737 T HN -0.004 nan 8.240 nan 0.000 0.515 738 P HA -0.058 nan 4.420 nan 0.000 0.216 738 P C 1.038 178.454 177.300 0.192 0.000 1.153 738 P CA 0.914 64.117 63.100 0.172 0.000 0.858 738 P CB -0.083 31.714 31.700 0.162 0.000 0.789 739 W N -0.955 120.405 121.300 0.100 0.000 2.358 739 W HA -0.237 4.422 4.660 -0.001 0.000 0.303 739 W C 2.362 178.916 176.519 0.059 0.000 1.208 739 W CA 1.201 58.603 57.345 0.095 0.000 1.274 739 W CB -0.940 28.573 29.460 0.089 0.000 1.138 739 W HN -0.066 nan 8.180 nan 0.000 0.515 740 Y N 1.581 121.955 120.300 0.123 0.000 2.242 740 Y HA -0.181 4.368 4.550 -0.001 0.000 0.291 740 Y C 2.625 178.440 175.900 -0.143 0.000 1.137 740 Y CA 2.609 60.644 58.100 -0.110 0.000 1.181 740 Y CB -0.795 37.652 38.460 -0.021 0.000 0.989 740 Y HN -0.020 nan 8.280 nan 0.000 0.527 741 K N 0.363 120.752 120.400 -0.019 0.000 2.044 741 K HA -0.313 4.007 4.320 -0.001 0.000 0.210 741 K C 2.042 178.481 176.600 -0.269 0.000 1.049 741 K CA 2.063 58.285 56.287 -0.108 0.000 0.927 741 K CB -0.442 32.061 32.500 0.005 0.000 0.713 741 K HN 0.429 nan 8.250 nan 0.000 0.443 742 N N 0.099 118.629 118.700 -0.283 0.000 2.058 742 N HA -0.208 4.531 4.740 -0.001 0.000 0.191 742 N C 1.911 177.136 175.510 -0.475 0.000 1.037 742 N CA 1.834 54.671 53.050 -0.356 0.000 0.848 742 N CB -0.597 37.707 38.487 -0.305 0.000 1.021 742 N HN 0.357 nan 8.380 nan 0.000 0.422 743 C N -0.494 118.448 119.300 -0.597 0.000 2.413 743 C HA -0.056 4.404 4.460 -0.001 0.000 0.277 743 C C 2.636 177.428 174.990 -0.330 0.000 1.228 743 C CA 0.748 59.510 59.018 -0.427 0.000 1.731 743 C CB -1.410 25.882 27.740 -0.747 0.000 2.042 743 C HN 0.653 nan 8.230 nan 0.000 0.468 744 I N 0.816 121.072 120.570 -0.524 0.000 2.315 744 I HA -0.132 4.038 4.170 -0.001 0.000 0.248 744 I C 2.328 178.251 176.117 -0.323 0.000 1.117 744 I CA 1.778 62.824 61.300 -0.424 0.000 1.404 744 I CB -0.482 37.148 38.000 -0.617 0.000 1.071 744 I HN 0.436 nan 8.210 nan 0.000 0.419 745 E N -0.510 119.489 120.200 -0.335 0.000 2.285 745 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 745 E C 2.056 178.462 176.600 -0.324 0.000 0.997 745 E CA 0.209 56.449 56.400 -0.266 0.000 0.845 745 E CB 0.037 29.600 29.700 -0.228 0.000 0.782 745 E HN 0.295 nan 8.360 nan 0.000 0.491 746 R N 0.516 120.738 120.500 -0.464 0.000 2.115 746 R HA -0.073 4.266 4.340 -0.001 0.000 0.226 746 R C 2.328 178.304 176.300 -0.540 0.000 1.100 746 R CA 0.530 56.265 56.100 -0.608 0.000 0.980 746 R CB -0.612 29.029 30.300 -1.097 0.000 0.875 746 R HN 0.203 nan 8.270 nan 0.000 0.445 747 L N 1.563 122.312 121.223 -0.791 0.000 2.027 747 L HA -0.127 4.213 4.340 -0.001 0.000 0.206 747 L C 2.466 179.225 176.870 -0.184 0.000 1.074 747 L CA 1.842 56.130 54.840 -0.919 0.000 0.745 747 L CB -0.780 40.829 42.059 -0.750 0.000 0.898 747 L HN 0.174 nan 8.230 nan 0.000 0.433 748 Q N -0.676 119.072 119.800 -0.087 0.000 2.112 748 Q HA -0.328 4.012 4.340 -0.001 0.000 0.206 748 Q C 2.304 178.364 176.000 0.101 0.000 0.987 748 Q CA 2.329 58.179 55.803 0.079 0.000 0.858 748 Q CB -0.302 28.422 28.738 -0.023 0.000 0.905 748 Q HN 0.772 nan 8.270 nan 0.000 0.420 749 Q N -0.338 119.453 119.800 -0.015 0.000 2.170 749 Q HA -0.157 4.182 4.340 -0.001 0.000 0.203 749 Q C 1.988 178.075 176.000 0.145 0.000 0.976 749 Q CA 1.142 56.954 55.803 0.015 0.000 0.858 749 Q CB 0.046 28.747 28.738 -0.062 0.000 0.907 749 Q HN 0.457 nan 8.270 nan 0.000 0.433 750 I N 0.375 121.046 120.570 0.168 0.000 2.163 750 I HA -0.262 3.908 4.170 -0.001 0.000 0.243 750 I C 1.961 178.186 176.117 0.180 0.000 1.085 750 I CA 1.428 62.883 61.300 0.259 0.000 1.347 750 I CB -1.417 36.607 38.000 0.040 0.000 1.044 750 I HN 0.221 nan 8.210 nan 0.000 0.408 751 F N 0.961 120.990 119.950 0.131 0.000 2.102 751 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 751 F C 2.528 178.370 175.800 0.070 0.000 1.105 751 F CA 1.223 59.148 58.000 -0.125 0.000 1.239 751 F CB -1.028 37.738 39.000 -0.390 0.000 0.991 751 F HN -0.040 nan 8.300 nan 0.000 0.474 752 L N -0.555 120.838 121.223 0.284 0.000 2.046 752 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 752 L C 2.490 179.465 176.870 0.175 0.000 1.077 752 L CA 1.657 56.632 54.840 0.226 0.000 0.747 752 L CB -0.748 41.374 42.059 0.105 0.000 0.896 752 L HN 0.214 nan 8.230 nan 0.000 0.432 753 Q N -0.882 118.917 119.800 -0.001 0.000 2.245 753 Q HA -0.118 4.222 4.340 -0.001 0.000 0.201 753 Q C 0.831 176.557 176.000 -0.456 0.000 0.955 753 Q CA 0.906 56.541 55.803 -0.281 0.000 0.870 753 Q CB 0.367 28.800 28.738 -0.507 0.000 0.945 753 Q HN 0.572 nan 8.270 nan 0.000 0.461 754 H N -1.242 117.934 119.070 0.177 0.000 2.492 754 H HA 0.071 4.627 4.556 -0.001 0.000 0.264 754 H C 0.673 176.012 175.328 0.019 0.000 1.150 754 H CA 0.423 56.530 56.048 0.100 0.000 0.962 754 H CB 0.194 30.117 29.762 0.267 0.000 1.766 754 H HN 0.509 nan 8.280 nan 0.000 0.589 755 H N 0.159 119.361 119.070 0.220 0.000 2.353 755 H HA -0.211 4.345 4.556 -0.001 0.000 0.298 755 H C 2.138 177.606 175.328 0.233 0.000 1.103 755 H CA 1.929 58.197 56.048 0.367 0.000 1.293 755 H CB 0.065 30.095 29.762 0.446 0.000 1.372 755 H HN 0.195 nan 8.280 nan 0.000 0.501 756 Q N 0.896 120.512 119.800 -0.307 0.000 2.096 756 Q HA -0.067 4.273 4.340 -0.001 0.000 0.204 756 Q C 2.264 178.207 176.000 -0.095 0.000 0.982 756 Q CA 2.070 57.791 55.803 -0.136 0.000 0.850 756 Q CB -0.354 28.247 28.738 -0.230 0.000 0.901 756 Q HN 0.709 nan 8.270 nan 0.000 0.422 757 I N -0.512 119.980 120.570 -0.129 0.000 2.353 757 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 757 I C 1.905 177.714 176.117 -0.512 0.000 1.119 757 I CA 0.758 61.909 61.300 -0.248 0.000 1.417 757 I CB -0.110 37.801 38.000 -0.148 0.000 1.078 757 I HN 0.222 nan 8.210 nan 0.000 0.421 758 I N 0.132 120.486 120.570 -0.360 0.000 2.493 758 I HA -0.270 3.900 4.170 -0.001 0.000 0.254 758 I C 2.402 178.487 176.117 -0.052 0.000 1.160 758 I CA 1.069 62.183 61.300 -0.309 0.000 1.445 758 I CB -0.313 37.614 38.000 -0.123 0.000 1.086 758 I HN 0.285 nan 8.210 nan 0.000 0.433 759 Q N 0.663 120.513 119.800 0.083 0.000 2.234 759 Q HA -0.267 4.073 4.340 -0.001 0.000 0.206 759 Q C 2.145 178.152 176.000 0.011 0.000 0.980 759 Q CA 1.548 57.425 55.803 0.124 0.000 0.869 759 Q CB -0.058 28.732 28.738 0.085 0.000 0.912 759 Q HN 0.653 nan 8.270 nan 0.000 0.436 760 Q N -1.209 118.493 119.800 -0.164 0.000 2.435 760 Q HA -0.135 4.204 4.340 -0.001 0.000 0.207 760 Q C 0.538 176.571 176.000 0.055 0.000 0.956 760 Q CA 1.001 56.734 55.803 -0.117 0.000 0.917 760 Q CB 0.019 28.639 28.738 -0.196 0.000 0.997 760 Q HN 0.567 nan 8.270 nan 0.000 0.497 761 Y N -0.632 119.743 120.300 0.125 0.000 2.458 761 Y HA 0.196 4.746 4.550 -0.001 0.000 0.256 761 Y C 1.900 177.928 175.900 0.214 0.000 1.159 761 Y CA -0.979 57.213 58.100 0.154 0.000 1.261 761 Y CB 0.338 38.892 38.460 0.156 0.000 1.119 761 Y HN 0.062 nan 8.280 nan 0.000 0.524 762 M N -0.157 119.652 119.600 0.348 0.000 2.089 762 M HA -0.242 4.238 4.480 -0.001 0.000 0.257 762 M C 2.094 178.602 176.300 0.346 0.000 1.071 762 M CA 1.475 57.001 55.300 0.377 0.000 1.096 762 M CB -0.966 31.784 32.600 0.251 0.000 1.330 762 M HN 0.216 nan 8.290 nan 0.000 0.403 763 V N -0.150 119.912 119.914 0.245 0.000 2.261 763 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 763 V C 2.426 178.625 176.094 0.174 0.000 1.047 763 V CA 2.250 64.664 62.300 0.189 0.000 1.015 763 V CB -1.176 30.732 31.823 0.142 0.000 0.642 763 V HN 0.477 nan 8.190 nan 0.000 0.446 764 T N 0.526 115.190 114.554 0.184 0.000 2.684 764 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 764 T C 1.893 176.676 174.700 0.138 0.000 1.036 764 T CA 1.785 63.971 62.100 0.143 0.000 1.148 764 T CB -0.365 68.586 68.868 0.138 0.000 0.863 764 T HN 0.278 nan 8.240 nan 0.000 0.436 765 L N 0.470 121.822 121.223 0.215 0.000 2.046 765 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 765 L C 2.780 179.658 176.870 0.012 0.000 1.077 765 L CA 1.530 56.485 54.840 0.190 0.000 0.747 765 L CB -0.467 41.806 42.059 0.357 0.000 0.896 765 L HN 0.344 nan 8.230 nan 0.000 0.432 766 E N 0.050 120.274 120.200 0.040 0.000 2.106 766 E HA -0.196 4.153 4.350 -0.001 0.000 0.192 766 E C 1.865 178.460 176.600 -0.007 0.000 0.984 766 E CA 1.067 57.440 56.400 -0.044 0.000 0.806 766 E CB 0.203 30.022 29.700 0.199 0.000 0.750 766 E HN 0.437 nan 8.360 nan 0.000 0.458 767 N N -0.029 118.692 118.700 0.036 0.000 2.250 767 N HA -0.054 4.685 4.740 -0.001 0.000 0.181 767 N C 1.737 177.243 175.510 -0.006 0.000 1.017 767 N CA 0.806 53.870 53.050 0.024 0.000 0.866 767 N CB 0.064 38.577 38.487 0.043 0.000 0.985 767 N HN 0.238 nan 8.380 nan 0.000 0.429 768 L N -0.595 120.619 121.223 -0.016 0.000 2.316 768 L HA 0.210 4.550 4.340 -0.001 0.000 0.207 768 L C 1.642 178.451 176.870 -0.101 0.000 1.070 768 L CA 0.499 55.316 54.840 -0.038 0.000 0.820 768 L CB 0.097 42.147 42.059 -0.015 0.000 0.992 768 L HN 0.028 nan 8.230 nan 0.000 0.466 769 L N -2.484 118.633 121.223 -0.176 0.000 2.638 769 L HA 0.178 4.518 4.340 -0.001 0.000 0.195 769 L C 0.157 176.699 176.870 -0.548 0.000 1.065 769 L CA 0.024 54.635 54.840 -0.382 0.000 0.859 769 L CB 0.191 41.937 42.059 -0.521 0.000 1.269 769 L HN -0.062 nan 8.230 nan 0.000 0.484 770 F N 2.292 122.034 119.950 -0.347 0.000 2.573 770 F HA 0.190 4.717 4.527 -0.001 0.000 0.349 770 F C 1.006 176.615 175.800 -0.319 0.000 1.213 770 F CA -0.628 57.103 58.000 -0.449 0.000 1.300 770 F CB -0.146 38.214 39.000 -1.066 0.000 1.661 770 F HN -0.006 nan 8.300 nan 0.000 0.616 771 T N -2.375 112.136 114.554 -0.072 0.000 2.881 771 T HA 0.547 4.897 4.350 -0.001 0.000 0.278 771 T C 1.387 176.104 174.700 0.027 0.000 0.982 771 T CA -0.390 61.698 62.100 -0.020 0.000 0.989 771 T CB 1.768 70.619 68.868 -0.028 0.000 1.058 771 T HN 0.330 nan 8.240 nan 0.000 0.529 772 A N 0.101 122.943 122.820 0.038 0.000 2.076 772 A HA -0.051 4.268 4.320 -0.001 0.000 0.220 772 A C 2.071 179.682 177.584 0.044 0.000 1.160 772 A CA 0.967 53.034 52.037 0.050 0.000 0.653 772 A CB -0.674 18.352 19.000 0.044 0.000 0.801 772 A HN 0.850 nan 8.150 nan 0.000 0.455 773 E N -0.583 119.636 120.200 0.032 0.000 2.478 773 E HA 0.117 4.467 4.350 -0.001 0.000 0.194 773 E C 0.410 177.034 176.600 0.040 0.000 1.045 773 E CA -0.233 56.185 56.400 0.031 0.000 0.868 773 E CB -0.107 29.604 29.700 0.019 0.000 0.885 773 E HN 0.566 nan 8.360 nan 0.000 0.505 774 L N 2.581 123.830 121.223 0.044 0.000 2.490 774 L HA -0.008 4.331 4.340 -0.001 0.000 0.274 774 L C 0.652 177.583 176.870 0.102 0.000 1.201 774 L CA 0.135 55.012 54.840 0.061 0.000 0.869 774 L CB 0.478 42.577 42.059 0.066 0.000 1.123 774 L HN -0.010 nan 8.230 nan 0.000 0.484 775 D N 6.942 127.415 120.400 0.122 0.000 2.583 775 D HA -0.060 4.579 4.640 -0.001 0.000 0.232 775 D C -1.503 174.917 176.300 0.201 0.000 1.128 775 D CA -0.918 53.182 54.000 0.167 0.000 0.859 775 D CB 1.320 42.238 40.800 0.198 0.000 1.169 775 D HN 0.373 nan 8.370 nan 0.000 0.481 776 P HA -0.197 nan 4.420 nan 0.000 0.217 776 P C 0.780 178.140 177.300 0.100 0.000 1.148 776 P CA 1.427 64.584 63.100 0.093 0.000 0.828 776 P CB 0.073 31.775 31.700 0.004 0.000 0.783 777 H N -0.328 118.832 119.070 0.150 0.000 2.352 777 H HA -0.050 4.506 4.556 -0.001 0.000 0.299 777 H C 2.193 177.653 175.328 0.219 0.000 1.097 777 H CA 1.420 57.590 56.048 0.204 0.000 1.311 777 H CB -0.843 29.087 29.762 0.280 0.000 1.377 777 H HN 0.170 nan 8.280 nan 0.000 0.504 778 I N -0.694 120.095 120.570 0.365 0.000 2.339 778 I HA -0.137 4.033 4.170 -0.001 0.000 0.245 778 I C 2.061 178.372 176.117 0.324 0.000 1.096 778 I CA 0.454 61.955 61.300 0.336 0.000 1.408 778 I CB -0.138 38.059 38.000 0.329 0.000 1.092 778 I HN 0.146 nan 8.210 nan 0.000 0.423 779 L N 1.730 123.123 121.223 0.284 0.000 2.127 779 L HA -0.136 4.204 4.340 -0.001 0.000 0.211 779 L C 2.572 179.552 176.870 0.183 0.000 1.089 779 L CA 1.896 56.901 54.840 0.276 0.000 0.757 779 L CB -0.720 41.460 42.059 0.203 0.000 0.899 779 L HN 0.206 nan 8.230 nan 0.000 0.434 780 A N -1.202 121.693 122.820 0.124 0.000 1.940 780 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 780 A C 2.244 179.825 177.584 -0.006 0.000 1.176 780 A CA 2.020 54.087 52.037 0.050 0.000 0.631 780 A CB -1.065 17.954 19.000 0.032 0.000 0.814 780 A HN 0.319 nan 8.150 nan 0.000 0.446 781 V N -1.388 118.529 119.914 0.005 0.000 2.343 781 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 781 V C 2.269 178.134 176.094 -0.382 0.000 1.051 781 V CA 2.116 64.347 62.300 -0.114 0.000 1.036 781 V CB -1.012 30.805 31.823 -0.010 0.000 0.654 781 V HN 0.635 nan 8.190 nan 0.000 0.451 782 F N 0.933 120.531 119.950 -0.586 0.000 2.171 782 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 782 F C 2.503 178.060 175.800 -0.404 0.000 1.090 782 F CA 1.830 59.327 58.000 -0.838 0.000 1.293 782 F CB -0.241 38.236 39.000 -0.873 0.000 1.013 782 F HN 0.152 nan 8.300 nan 0.000 0.486 783 Q N -0.295 119.406 119.800 -0.165 0.000 2.119 783 Q HA -0.225 4.115 4.340 -0.001 0.000 0.201 783 Q C 2.181 178.050 176.000 -0.218 0.000 0.972 783 Q CA 1.733 57.436 55.803 -0.166 0.000 0.847 783 Q CB -0.279 28.446 28.738 -0.022 0.000 0.903 783 Q HN 0.571 nan 8.270 nan 0.000 0.433 784 Q N -0.199 119.487 119.800 -0.190 0.000 2.079 784 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 784 Q C 1.792 177.676 176.000 -0.192 0.000 0.974 784 Q CA 1.295 57.010 55.803 -0.147 0.000 0.840 784 Q CB -0.175 28.500 28.738 -0.104 0.000 0.898 784 Q HN 0.305 nan 8.270 nan 0.000 0.430 785 F N 0.562 120.215 119.950 -0.496 0.000 2.134 785 F HA -0.272 4.254 4.527 -0.001 0.000 0.299 785 F C 2.279 177.806 175.800 -0.455 0.000 1.097 785 F CA 1.264 58.948 58.000 -0.527 0.000 1.264 785 F CB -0.737 37.707 39.000 -0.926 0.000 1.001 785 F HN 0.173 nan 8.300 nan 0.000 0.479 786 C N 0.814 119.723 119.300 -0.651 0.000 2.425 786 C HA -0.052 4.408 4.460 -0.001 0.000 0.277 786 C C 3.028 177.755 174.990 -0.439 0.000 1.280 786 C CA 1.347 59.990 59.018 -0.624 0.000 1.744 786 C CB -1.951 25.468 27.740 -0.535 0.000 1.989 786 C HN 0.584 nan 8.230 nan 0.000 0.491 787 A N 0.069 122.699 122.820 -0.317 0.000 2.178 787 A HA 0.026 4.346 4.320 -0.001 0.000 0.218 787 A C 2.036 179.467 177.584 -0.256 0.000 1.157 787 A CA 1.187 53.102 52.037 -0.204 0.000 0.689 787 A CB -0.607 18.353 19.000 -0.068 0.000 0.787 787 A HN 0.726 nan 8.150 nan 0.000 0.465 788 L N -1.469 119.545 121.223 -0.350 0.000 2.275 788 L HA -0.098 4.242 4.340 -0.001 0.000 0.215 788 L C 1.637 178.310 176.870 -0.328 0.000 1.119 788 L CA 0.824 55.452 54.840 -0.354 0.000 0.790 788 L CB -0.177 41.631 42.059 -0.418 0.000 0.919 788 L HN 0.403 nan 8.230 nan 0.000 0.443 789 Q N -1.065 118.543 119.800 -0.320 0.000 2.086 789 Q HA 0.356 4.695 4.340 -0.001 0.000 0.220 789 Q C 0.159 176.059 176.000 -0.166 0.000 0.792 789 Q CA 0.014 55.686 55.803 -0.219 0.000 1.062 789 Q CB 1.376 29.991 28.738 -0.206 0.000 1.198 789 Q HN 0.295 nan 8.270 nan 0.000 0.466 790 A N 0.000 122.709 122.820 -0.185 0.000 2.254 790 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 790 A CA 0.000 51.953 52.037 -0.139 0.000 0.836 790 A CB 0.000 18.919 19.000 -0.134 0.000 0.831 790 A HN 0.000 nan 8.150 nan 0.000 0.486