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 2xgo_1_B DATA FIRST_RESID 28 DATA SEQUENCE MLADAELGMG DTTAGEMAVQ RGLALHPGHP EAVARLGRVR WTQQRHAEAA DATA SEQUENCE VLLQQASDAA PEHPGIALWL GHALEDAGQA EAAAAAYTRA HQLLPEEPYI DATA SEQUENCE TAQLLNWRRR LCDWRALDVL SAQVRAAVAQ GVGAVEPFAF LSEDASAAEQ DATA SEQUENCE LACARTRAQA IAASVRPLAP TRVRSKGPLR VGFVSNGFGA HPTGLLTVAL DATA SEQUENCE FEALQRRQPD LQMHLFATSG DDGSTLRTRL AQASTLHDVT ALGHLATAKH DATA SEQUENCE IRHHGIDLLF DLRGWGGGGR PEVFALRPAP VQVNWLAYPG TSGAPWMDYV DATA SEQUENCE LGDAFALPPA LEPFYSEHVL RLQGAFQPSD TSRVVAEPPS RTQCGLPEQG DATA SEQUENCE VVLCCFNNSY KLNPQSMARM LAVLREVPDS VLWLLSGPGE ADARLRAFAH DATA SEQUENCE AQGVDAQRLV FMPKLPHPQY LARYRHADLF LDTHPYNAHT TASDALWTGC DATA SEQUENCE PVLTTPGETF AARVAGSLNH HLGLDEMNVA DDAAFVAKAV ALASDPAALT DATA SEQUENCE ALHARVDVLR RASGVFHMDG FADDFGALLQ ALARRHGWLG I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 M HA 0.000 nan 4.480 nan 0.000 0.227 28 M C 0.000 176.313 176.300 0.022 0.000 1.140 28 M CA 0.000 55.313 55.300 0.021 0.000 0.988 28 M CB 0.000 32.607 32.600 0.011 0.000 1.302 29 L N 1.081 122.311 121.223 0.011 0.000 2.187 29 L HA -0.065 4.276 4.340 0.001 0.000 0.213 29 L C 2.129 179.007 176.870 0.012 0.000 1.100 29 L CA 1.896 56.741 54.840 0.009 0.000 0.765 29 L CB -0.233 41.828 42.059 0.003 0.000 0.904 29 L HN 0.550 nan 8.230 nan 0.000 0.437 30 A N -0.871 121.958 122.820 0.015 0.000 1.969 30 A HA -0.237 4.083 4.320 0.001 0.000 0.218 30 A C 1.751 179.349 177.584 0.023 0.000 1.169 30 A CA 1.869 53.916 52.037 0.016 0.000 0.635 30 A CB -0.551 18.459 19.000 0.018 0.000 0.810 30 A HN 0.444 nan 8.150 nan 0.000 0.445 31 D N -0.790 119.636 120.400 0.043 0.000 2.378 31 D HA 0.308 4.949 4.640 0.001 0.000 0.222 31 D C 0.404 176.734 176.300 0.050 0.000 0.980 31 D CA 1.365 55.405 54.000 0.066 0.000 0.907 31 D CB 0.096 40.957 40.800 0.101 0.000 0.899 31 D HN 0.450 nan 8.370 nan 0.000 0.527 32 A N -0.215 122.624 122.820 0.032 0.000 2.001 32 A HA 0.117 4.438 4.320 0.001 0.000 0.259 32 A C 0.640 178.234 177.584 0.016 0.000 1.410 32 A CA -0.553 51.498 52.037 0.025 0.000 1.208 32 A CB -0.491 18.527 19.000 0.029 0.000 1.163 32 A HN -0.068 nan 8.150 nan 0.000 0.651 33 E N 0.420 120.626 120.200 0.010 0.000 2.085 33 E HA -0.203 4.147 4.350 0.001 0.000 0.194 33 E C 1.772 178.374 176.600 0.004 0.000 0.994 33 E CA 1.753 58.156 56.400 0.005 0.000 0.801 33 E CB 0.011 29.712 29.700 0.000 0.000 0.743 33 E HN 0.795 nan 8.360 nan 0.000 0.453 34 L N -0.128 121.097 121.223 0.003 0.000 1.961 34 L HA -0.094 4.247 4.340 0.001 0.000 0.210 34 L C 1.812 178.685 176.870 0.004 0.000 1.072 34 L CA 1.432 56.270 54.840 -0.004 0.000 0.749 34 L CB -0.376 41.672 42.059 -0.018 0.000 0.889 34 L HN 0.181 nan 8.230 nan 0.000 0.432 35 G N -1.218 107.589 108.800 0.013 0.000 3.397 35 G HA2 0.071 4.031 3.960 0.001 0.000 0.248 35 G HA3 0.071 4.031 3.960 0.001 0.000 0.248 35 G C 0.648 175.564 174.900 0.028 0.000 1.284 35 G CA -0.074 45.044 45.100 0.029 0.000 1.570 35 G HN 0.365 nan 8.290 nan 0.000 0.587 36 M N -0.381 119.229 119.600 0.016 0.000 2.241 36 M HA 0.220 4.701 4.480 0.001 0.000 0.374 36 M C 1.331 177.632 176.300 0.002 0.000 0.922 36 M CA -0.019 55.289 55.300 0.013 0.000 1.031 36 M CB 1.489 34.096 32.600 0.012 0.000 1.864 36 M HN 0.233 nan 8.290 nan 0.000 0.636 37 G N 0.310 109.104 108.800 -0.010 0.000 4.644 37 G HA2 0.117 4.078 3.960 0.001 0.000 0.307 37 G HA3 0.117 4.078 3.960 0.001 0.000 0.307 37 G C -0.882 174.004 174.900 -0.023 0.000 1.331 37 G CA -0.210 44.882 45.100 -0.015 0.000 1.059 37 G HN 0.173 nan 8.290 nan 0.000 0.590 38 D N 1.833 122.222 120.400 -0.018 0.000 2.416 38 D HA 0.160 4.800 4.640 0.001 0.000 0.240 38 D C 0.887 177.176 176.300 -0.017 0.000 1.250 38 D CA -0.037 53.952 54.000 -0.020 0.000 0.967 38 D CB 0.336 41.126 40.800 -0.016 0.000 1.059 38 D HN 0.158 nan 8.370 nan 0.000 0.512 39 T N 0.521 115.062 114.554 -0.022 0.000 3.262 39 T HA 0.384 4.735 4.350 0.001 0.000 0.374 39 T C 0.500 175.186 174.700 -0.022 0.000 1.504 39 T CA -0.627 61.461 62.100 -0.021 0.000 1.158 39 T CB 0.640 69.492 68.868 -0.027 0.000 1.157 39 T HN 0.193 nan 8.240 nan 0.000 0.644 40 T N 0.691 115.235 114.554 -0.018 0.000 4.864 40 T HA 0.426 4.777 4.350 0.001 0.000 0.325 40 T C 1.573 176.267 174.700 -0.011 0.000 0.880 40 T CA 0.882 62.973 62.100 -0.014 0.000 0.689 40 T CB -0.969 67.889 68.868 -0.017 0.000 0.862 40 T HN 1.130 nan 8.240 nan 0.000 0.460 41 A N 0.924 123.738 122.820 -0.010 0.000 2.710 41 A HA -0.288 4.032 4.320 0.001 0.000 0.309 41 A C 2.304 179.884 177.584 -0.006 0.000 4.150 41 A CA 3.413 55.445 52.037 -0.008 0.000 0.983 41 A CB -2.053 16.941 19.000 -0.010 0.000 0.655 41 A HN 1.498 nan 8.150 nan 0.000 0.407 42 G N -1.721 107.075 108.800 -0.007 0.000 2.524 42 G HA2 -0.165 3.796 3.960 0.001 0.000 0.215 42 G HA3 -0.165 3.796 3.960 0.001 0.000 0.215 42 G C 1.318 176.215 174.900 -0.004 0.000 1.239 42 G CA 1.690 46.786 45.100 -0.006 0.000 0.798 42 G HN 0.989 nan 8.290 nan 0.000 0.557 43 E N -0.511 119.685 120.200 -0.007 0.000 2.108 43 E HA -0.242 4.109 4.350 0.001 0.000 0.203 43 E C 2.526 179.125 176.600 -0.001 0.000 1.022 43 E CA 1.646 58.043 56.400 -0.004 0.000 0.823 43 E CB -0.191 29.505 29.700 -0.007 0.000 0.744 43 E HN 0.249 nan 8.360 nan 0.000 0.456 44 M N -0.162 119.436 119.600 -0.003 0.000 2.337 44 M HA -0.171 4.309 4.480 0.001 0.000 0.261 44 M C 2.090 178.390 176.300 -0.000 0.000 1.067 44 M CA 1.567 56.865 55.300 -0.002 0.000 1.074 44 M CB -0.909 31.689 32.600 -0.004 0.000 1.395 44 M HN 0.338 nan 8.290 nan 0.000 0.431 45 A N -0.726 122.093 122.820 -0.000 0.000 1.871 45 A HA 0.016 4.337 4.320 0.001 0.000 0.211 45 A C 2.255 179.840 177.584 0.002 0.000 1.207 45 A CA 0.907 52.944 52.037 0.000 0.000 0.620 45 A CB -0.749 18.251 19.000 0.000 0.000 0.860 45 A HN 0.234 nan 8.150 nan 0.000 0.450 46 V N 0.780 120.698 119.914 0.007 0.000 2.282 46 V HA -0.335 3.786 4.120 0.001 0.000 0.249 46 V C 2.526 178.628 176.094 0.015 0.000 1.057 46 V CA 2.137 64.445 62.300 0.013 0.000 1.032 46 V CB -1.112 30.722 31.823 0.017 0.000 0.645 46 V HN 0.547 nan 8.190 nan 0.000 0.447 47 Q N -0.188 119.619 119.800 0.012 0.000 2.368 47 Q HA -0.160 4.180 4.340 0.001 0.000 0.210 47 Q C 2.264 178.272 176.000 0.013 0.000 0.982 47 Q CA 1.236 57.047 55.803 0.014 0.000 0.884 47 Q CB -0.276 28.468 28.738 0.010 0.000 0.933 47 Q HN 0.644 nan 8.270 nan 0.000 0.460 48 R N -1.016 119.489 120.500 0.008 0.000 2.265 48 R HA 0.089 4.430 4.340 0.001 0.000 0.194 48 R C 2.115 178.415 176.300 -0.001 0.000 0.931 48 R CA 0.594 56.696 56.100 0.004 0.000 1.032 48 R CB 0.081 30.380 30.300 -0.001 0.000 0.980 48 R HN 0.217 nan 8.270 nan 0.000 0.497 49 G N 1.916 110.715 108.800 -0.002 0.000 2.453 49 G HA2 -0.223 3.738 3.960 0.001 0.000 0.215 49 G HA3 -0.223 3.738 3.960 0.001 0.000 0.215 49 G C 1.470 176.378 174.900 0.013 0.000 1.201 49 G CA 0.334 45.425 45.100 -0.014 0.000 0.784 49 G HN 0.092 nan 8.290 nan 0.000 0.545 50 L N 1.014 122.258 121.223 0.035 0.000 2.089 50 L HA -0.238 4.103 4.340 0.001 0.000 0.213 50 L C 3.423 180.326 176.870 0.056 0.000 1.079 50 L CA 1.215 56.089 54.840 0.056 0.000 0.758 50 L CB -0.630 41.457 42.059 0.046 0.000 0.891 50 L HN 0.325 nan 8.230 nan 0.000 0.433 51 A N 0.085 122.927 122.820 0.037 0.000 1.892 51 A HA -0.217 4.104 4.320 0.001 0.000 0.218 51 A C 2.260 179.876 177.584 0.053 0.000 1.188 51 A CA 1.977 54.035 52.037 0.035 0.000 0.631 51 A CB -0.633 18.379 19.000 0.020 0.000 0.822 51 A HN 0.386 nan 8.150 nan 0.000 0.447 52 L N -2.267 118.989 121.223 0.055 0.000 2.102 52 L HA 0.070 4.411 4.340 0.001 0.000 0.202 52 L C 0.384 177.431 176.870 0.296 0.000 1.076 52 L CA 0.488 55.385 54.840 0.095 0.000 0.761 52 L CB -0.090 41.961 42.059 -0.013 0.000 0.921 52 L HN 0.362 nan 8.230 nan 0.000 0.444 53 H N -0.043 119.022 119.070 -0.008 0.000 2.638 53 H HA 0.307 4.864 4.556 0.001 0.000 0.317 53 H C -2.351 173.006 175.328 0.048 0.000 1.006 53 H CA -3.233 52.826 56.048 0.020 0.000 1.222 53 H CB 0.737 30.493 29.762 -0.010 0.000 1.419 53 H HN -0.121 nan 8.280 nan 0.000 0.489 54 P HA 0.210 nan 4.420 nan 0.000 0.281 54 P C 0.261 177.613 177.300 0.086 0.000 1.286 54 P CA -0.237 62.912 63.100 0.082 0.000 0.772 54 P CB 0.736 32.462 31.700 0.043 0.000 0.862 55 G N 2.500 111.358 108.800 0.096 0.000 2.402 55 G HA2 -0.234 3.727 3.960 0.001 0.000 0.241 55 G HA3 -0.234 3.727 3.960 0.001 0.000 0.241 55 G C -0.648 174.327 174.900 0.126 0.000 0.871 55 G CA -0.076 45.078 45.100 0.089 0.000 1.232 55 G HN 0.930 nan 8.290 nan 0.000 0.369 56 H N 2.847 121.949 119.070 0.054 0.000 2.689 56 H HA 0.553 5.110 4.556 0.001 0.000 0.346 56 H C -1.383 173.972 175.328 0.044 0.000 1.037 56 H CA -1.999 54.088 56.048 0.065 0.000 1.234 56 H CB 1.988 31.825 29.762 0.125 0.000 1.572 56 H HN 0.062 nan 8.280 nan 0.000 0.524 57 P HA -0.253 nan 4.420 nan 0.000 0.218 57 P C 0.957 178.289 177.300 0.053 0.000 1.152 57 P CA 1.420 64.489 63.100 -0.052 0.000 0.857 57 P CB 0.390 32.006 31.700 -0.140 0.000 0.787 58 E N -1.116 119.237 120.200 0.255 0.000 2.107 58 E HA -0.064 4.286 4.350 0.001 0.000 0.191 58 E C 2.020 178.722 176.600 0.170 0.000 0.982 58 E CA 1.252 57.770 56.400 0.197 0.000 0.809 58 E CB -0.459 29.403 29.700 0.271 0.000 0.756 58 E HN 0.202 nan 8.360 nan 0.000 0.459 59 A N 1.076 124.021 122.820 0.208 0.000 1.855 59 A HA -0.059 4.261 4.320 0.001 0.000 0.213 59 A C 2.581 180.231 177.584 0.110 0.000 1.195 59 A CA 0.802 52.912 52.037 0.123 0.000 0.610 59 A CB -0.710 18.351 19.000 0.103 0.000 0.837 59 A HN 0.074 nan 8.150 nan 0.000 0.444 60 V N 0.358 120.340 119.914 0.114 0.000 2.231 60 V HA -0.358 3.763 4.120 0.001 0.000 0.250 60 V C 3.094 179.233 176.094 0.076 0.000 1.058 60 V CA 2.333 64.680 62.300 0.078 0.000 1.022 60 V CB -1.407 30.451 31.823 0.059 0.000 0.640 60 V HN 0.626 nan 8.190 nan 0.000 0.445 61 A N -0.624 122.246 122.820 0.083 0.000 1.958 61 A HA -0.315 4.006 4.320 0.001 0.000 0.221 61 A C 2.348 180.025 177.584 0.154 0.000 1.178 61 A CA 2.349 54.459 52.037 0.121 0.000 0.642 61 A CB -0.609 18.460 19.000 0.116 0.000 0.816 61 A HN 0.549 nan 8.150 nan 0.000 0.453 62 R N -1.603 118.982 120.500 0.141 0.000 2.193 62 R HA 0.032 4.373 4.340 0.001 0.000 0.213 62 R C 1.966 178.277 176.300 0.019 0.000 1.055 62 R CA 0.730 56.879 56.100 0.082 0.000 0.995 62 R CB -0.331 30.034 30.300 0.109 0.000 0.893 62 R HN 0.499 nan 8.270 nan 0.000 0.459 63 L N -0.133 121.113 121.223 0.038 0.000 1.961 63 L HA -0.087 4.254 4.340 0.001 0.000 0.210 63 L C 1.569 178.453 176.870 0.024 0.000 1.072 63 L CA 2.613 57.470 54.840 0.028 0.000 0.749 63 L CB -0.949 41.131 42.059 0.036 0.000 0.889 63 L HN 0.410 nan 8.230 nan 0.000 0.432 64 G N -1.429 107.392 108.800 0.036 0.000 4.026 64 G HA2 -0.513 3.448 3.960 0.001 0.000 0.309 64 G HA3 -0.513 3.448 3.960 0.001 0.000 0.309 64 G C 1.365 176.271 174.900 0.009 0.000 1.411 64 G CA 0.683 45.804 45.100 0.035 0.000 1.037 64 G HN 0.454 nan 8.290 nan 0.000 0.687 65 R N 1.105 121.563 120.500 -0.070 0.000 2.161 65 R HA 0.393 4.734 4.340 0.001 0.000 0.213 65 R C 2.716 178.998 176.300 -0.030 0.000 1.055 65 R CA 1.921 57.905 56.100 -0.194 0.000 0.996 65 R CB -0.544 29.421 30.300 -0.559 0.000 0.901 65 R HN 0.535 nan 8.270 nan 0.000 0.456 66 V N 1.398 121.305 119.914 -0.012 0.000 2.223 66 V HA -0.278 3.843 4.120 0.001 0.000 0.244 66 V C 2.189 178.309 176.094 0.043 0.000 1.045 66 V CA 1.911 64.217 62.300 0.010 0.000 1.000 66 V CB -0.544 31.278 31.823 -0.001 0.000 0.635 66 V HN 0.270 nan 8.190 nan 0.000 0.445 67 R N -0.883 119.645 120.500 0.047 0.000 2.224 67 R HA -0.329 4.011 4.340 0.001 0.000 0.255 67 R C 1.947 178.302 176.300 0.093 0.000 1.130 67 R CA 2.678 58.810 56.100 0.054 0.000 0.957 67 R CB -1.513 28.833 30.300 0.077 0.000 0.907 67 R HN 0.724 nan 8.270 nan 0.000 0.446 68 W N 1.764 123.063 121.300 -0.002 0.000 2.335 68 W HA -0.209 4.451 4.660 0.000 0.000 0.311 68 W C 2.198 178.747 176.519 0.050 0.000 1.213 68 W CA 2.471 59.874 57.345 0.098 0.000 1.274 68 W CB -0.475 28.983 29.460 -0.003 0.000 1.148 68 W HN 0.115 nan 8.180 nan 0.000 0.498 69 T N -0.023 114.564 114.554 0.055 0.000 2.904 69 T HA -0.213 4.138 4.350 0.001 0.000 0.267 69 T C 1.440 176.028 174.700 -0.187 0.000 1.059 69 T CA 1.440 63.447 62.100 -0.155 0.000 1.137 69 T CB -0.401 68.460 68.868 -0.012 0.000 0.879 69 T HN 0.263 nan 8.240 nan 0.000 0.467 70 Q N 0.508 120.235 119.800 -0.121 0.000 2.466 70 Q HA 0.043 4.383 4.340 0.001 0.000 0.210 70 Q C 0.331 176.203 176.000 -0.214 0.000 0.961 70 Q CA 0.021 55.744 55.803 -0.134 0.000 0.953 70 Q CB 0.057 28.747 28.738 -0.080 0.000 1.011 70 Q HN 0.338 nan 8.270 nan 0.000 0.516 71 Q N -1.625 117.963 119.800 -0.355 0.000 2.424 71 Q HA -0.231 4.109 4.340 0.001 0.000 0.234 71 Q C -0.326 175.288 176.000 -0.643 0.000 0.748 71 Q CA 1.097 56.535 55.803 -0.608 0.000 1.286 71 Q CB -1.351 27.169 28.738 -0.363 0.000 1.494 71 Q HN 0.449 nan 8.270 nan 0.000 0.683 72 R N 0.573 120.852 120.500 -0.369 0.000 3.179 72 R HA 0.162 4.502 4.340 0.001 0.000 0.317 72 R C 1.030 177.300 176.300 -0.050 0.000 1.331 72 R CA -0.357 55.634 56.100 -0.182 0.000 1.184 72 R CB 0.112 30.362 30.300 -0.084 0.000 1.408 72 R HN 0.242 nan 8.270 nan 0.000 0.598 73 H N 1.040 120.123 119.070 0.023 0.000 2.362 73 H HA -0.242 4.315 4.556 0.001 0.000 0.294 73 H C 2.053 177.429 175.328 0.080 0.000 1.113 73 H CA 1.930 58.030 56.048 0.086 0.000 1.253 73 H CB -0.218 29.593 29.762 0.082 0.000 1.363 73 H HN 0.437 nan 8.280 nan 0.000 0.494 74 A N 1.101 124.017 122.820 0.160 0.000 1.908 74 A HA -0.211 4.110 4.320 0.001 0.000 0.218 74 A C 2.369 180.004 177.584 0.085 0.000 1.181 74 A CA 1.883 53.984 52.037 0.108 0.000 0.627 74 A CB -0.425 18.616 19.000 0.069 0.000 0.818 74 A HN 0.526 nan 8.150 nan 0.000 0.445 75 E N -0.250 119.993 120.200 0.071 0.000 2.150 75 E HA -0.032 4.319 4.350 0.001 0.000 0.193 75 E C 2.284 178.925 176.600 0.069 0.000 0.985 75 E CA 0.836 57.269 56.400 0.055 0.000 0.814 75 E CB -0.285 29.437 29.700 0.037 0.000 0.752 75 E HN 0.631 nan 8.360 nan 0.000 0.466 76 A N 1.701 124.584 122.820 0.105 0.000 1.858 76 A HA -0.150 4.171 4.320 0.001 0.000 0.216 76 A C 2.462 180.097 177.584 0.085 0.000 1.190 76 A CA 1.759 53.866 52.037 0.116 0.000 0.617 76 A CB -0.971 18.153 19.000 0.207 0.000 0.827 76 A HN 0.297 nan 8.150 nan 0.000 0.443 77 A N -0.324 122.549 122.820 0.089 0.000 1.903 77 A HA -0.149 4.172 4.320 0.001 0.000 0.219 77 A C 2.254 179.860 177.584 0.037 0.000 1.191 77 A CA 2.524 54.593 52.037 0.054 0.000 0.638 77 A CB -1.327 17.706 19.000 0.055 0.000 0.823 77 A HN 0.674 nan 8.150 nan 0.000 0.451 78 V N -0.244 119.695 119.914 0.041 0.000 2.287 78 V HA -0.283 3.837 4.120 0.001 0.000 0.248 78 V C 2.525 178.635 176.094 0.026 0.000 1.053 78 V CA 2.024 64.343 62.300 0.030 0.000 1.027 78 V CB -1.059 30.782 31.823 0.030 0.000 0.646 78 V HN 0.543 nan 8.190 nan 0.000 0.447 79 L N -0.730 120.513 121.223 0.033 0.000 1.976 79 L HA -0.155 4.186 4.340 0.001 0.000 0.209 79 L C 2.538 179.425 176.870 0.028 0.000 1.071 79 L CA 1.626 56.485 54.840 0.032 0.000 0.746 79 L CB -0.586 41.497 42.059 0.040 0.000 0.890 79 L HN 0.244 nan 8.230 nan 0.000 0.432 80 L N -0.552 120.691 121.223 0.033 0.000 2.043 80 L HA -0.291 4.049 4.340 0.001 0.000 0.212 80 L C 2.701 179.574 176.870 0.005 0.000 1.075 80 L CA 1.321 56.177 54.840 0.027 0.000 0.752 80 L CB -0.473 41.605 42.059 0.032 0.000 0.891 80 L HN 0.329 nan 8.230 nan 0.000 0.432 81 Q N -0.176 119.626 119.800 0.004 0.000 2.181 81 Q HA -0.267 4.074 4.340 0.001 0.000 0.205 81 Q C 2.112 178.109 176.000 -0.004 0.000 0.980 81 Q CA 1.695 57.495 55.803 -0.004 0.000 0.862 81 Q CB -0.123 28.615 28.738 0.000 0.000 0.905 81 Q HN 0.466 nan 8.270 nan 0.000 0.429 82 Q N -1.266 118.535 119.800 0.001 0.000 2.049 82 Q HA -0.085 4.255 4.340 0.001 0.000 0.198 82 Q C 1.903 177.897 176.000 -0.010 0.000 0.971 82 Q CA 1.182 56.984 55.803 -0.001 0.000 0.833 82 Q CB -0.248 28.493 28.738 0.006 0.000 0.896 82 Q HN 0.487 nan 8.270 nan 0.000 0.434 83 A N 0.272 123.086 122.820 -0.010 0.000 1.851 83 A HA -0.253 4.068 4.320 0.001 0.000 0.216 83 A C 2.215 179.776 177.584 -0.038 0.000 1.195 83 A CA 2.019 54.040 52.037 -0.027 0.000 0.622 83 A CB -1.288 17.698 19.000 -0.022 0.000 0.831 83 A HN 0.460 nan 8.150 nan 0.000 0.444 84 S N -0.168 115.511 115.700 -0.034 0.000 2.372 84 S HA -0.254 4.217 4.470 0.001 0.000 0.227 84 S C 1.630 176.217 174.600 -0.021 0.000 1.044 84 S CA 2.083 60.265 58.200 -0.031 0.000 1.050 84 S CB -0.650 62.531 63.200 -0.032 0.000 0.901 84 S HN 0.607 nan 8.310 nan 0.000 0.447 85 D N 1.035 121.424 120.400 -0.019 0.000 2.178 85 D HA 0.059 4.699 4.640 0.001 0.000 0.202 85 D C 2.060 178.349 176.300 -0.018 0.000 0.974 85 D CA 1.194 55.184 54.000 -0.015 0.000 0.841 85 D CB -0.594 40.199 40.800 -0.012 0.000 0.953 85 D HN 0.505 nan 8.370 nan 0.000 0.478 86 A N 0.076 122.881 122.820 -0.026 0.000 2.067 86 A HA 0.347 4.667 4.320 0.001 0.000 0.217 86 A C 1.416 178.979 177.584 -0.035 0.000 1.156 86 A CA 1.101 53.116 52.037 -0.036 0.000 0.683 86 A CB 0.158 19.127 19.000 -0.052 0.000 0.808 86 A HN 0.170 nan 8.150 nan 0.000 0.455 87 A N -0.435 122.371 122.820 -0.023 0.000 3.317 87 A HA 0.606 4.926 4.320 0.001 0.000 0.307 87 A C -2.113 175.483 177.584 0.021 0.000 1.003 87 A CA -0.842 51.198 52.037 0.006 0.000 0.882 87 A CB 0.380 19.398 19.000 0.029 0.000 1.136 87 A HN 0.119 nan 8.150 nan 0.000 0.488 88 P HA -0.068 nan 4.420 nan 0.000 0.237 88 P C 0.981 178.286 177.300 0.007 0.000 1.178 88 P CA 0.973 64.075 63.100 0.003 0.000 0.766 88 P CB 0.384 32.082 31.700 -0.004 0.000 0.876 89 E N -1.774 118.434 120.200 0.012 0.000 2.479 89 E HA -0.085 4.266 4.350 0.001 0.000 0.193 89 E C 0.379 176.981 176.600 0.005 0.000 1.049 89 E CA 0.315 56.714 56.400 -0.001 0.000 0.870 89 E CB -1.368 28.321 29.700 -0.017 0.000 0.944 89 E HN 0.262 nan 8.360 nan 0.000 0.492 90 H N 2.870 121.906 119.070 -0.057 0.000 2.782 90 H HA 0.185 4.742 4.556 0.001 0.000 0.285 90 H C -1.805 173.464 175.328 -0.100 0.000 1.093 90 H CA -2.135 53.868 56.048 -0.076 0.000 1.410 90 H CB 1.625 31.342 29.762 -0.077 0.000 1.439 90 H HN -0.059 nan 8.280 nan 0.000 0.469 91 P HA 0.008 nan 4.420 nan 0.000 0.222 91 P C 1.500 178.801 177.300 0.001 0.000 1.157 91 P CA 0.902 64.012 63.100 0.016 0.000 0.816 91 P CB 0.209 31.881 31.700 -0.046 0.000 0.813 92 G N 0.912 109.752 108.800 0.066 0.000 2.440 92 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 92 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 92 G C 1.635 176.205 174.900 -0.551 0.000 1.154 92 G CA 0.669 45.601 45.100 -0.280 0.000 0.767 92 G HN 0.231 nan 8.290 nan 0.000 0.552 93 I N 1.332 121.704 120.570 -0.330 0.000 2.179 93 I HA -0.158 4.013 4.170 0.001 0.000 0.242 93 I C 3.275 179.313 176.117 -0.132 0.000 1.088 93 I CA 1.031 62.169 61.300 -0.271 0.000 1.357 93 I CB -0.210 37.612 38.000 -0.297 0.000 1.051 93 I HN 0.236 nan 8.210 nan 0.000 0.409 94 A N 0.296 123.056 122.820 -0.100 0.000 2.024 94 A HA -0.212 4.108 4.320 0.001 0.000 0.220 94 A C 2.199 179.665 177.584 -0.198 0.000 1.164 94 A CA 1.550 53.519 52.037 -0.113 0.000 0.643 94 A CB -0.626 18.334 19.000 -0.068 0.000 0.806 94 A HN 0.417 nan 8.150 nan 0.000 0.451 95 L N -1.885 119.237 121.223 -0.168 0.000 2.095 95 L HA 0.031 4.372 4.340 0.001 0.000 0.204 95 L C 2.101 178.955 176.870 -0.028 0.000 1.080 95 L CA 1.481 56.225 54.840 -0.160 0.000 0.759 95 L CB -0.670 41.375 42.059 -0.023 0.000 0.914 95 L HN 0.524 nan 8.230 nan 0.000 0.439 96 W N -0.442 120.790 121.300 -0.114 0.000 2.381 96 W HA -0.114 4.546 4.660 0.001 0.000 0.301 96 W C 2.461 178.843 176.519 -0.227 0.000 1.205 96 W CA 1.023 58.285 57.345 -0.138 0.000 1.285 96 W CB -1.222 28.148 29.460 -0.149 0.000 1.133 96 W HN 0.214 nan 8.180 nan 0.000 0.521 97 L N 1.047 122.271 121.223 0.002 0.000 2.043 97 L HA -0.108 4.233 4.340 0.001 0.000 0.212 97 L C 2.413 179.140 176.870 -0.239 0.000 1.075 97 L CA 2.678 57.458 54.840 -0.100 0.000 0.752 97 L CB -1.321 40.675 42.059 -0.106 0.000 0.891 97 L HN -0.007 nan 8.230 nan 0.000 0.432 98 G N -1.853 106.659 108.800 -0.480 0.000 2.459 98 G HA2 -0.293 3.668 3.960 0.001 0.000 0.217 98 G HA3 -0.293 3.668 3.960 0.001 0.000 0.217 98 G C 1.482 176.021 174.900 -0.601 0.000 1.183 98 G CA 0.925 45.469 45.100 -0.927 0.000 0.776 98 G HN 0.538 nan 8.290 nan 0.000 0.552 99 H N 1.093 119.950 119.070 -0.356 0.000 2.289 99 H HA -0.113 4.443 4.556 0.001 0.000 0.296 99 H C 2.974 178.206 175.328 -0.160 0.000 1.091 99 H CA 1.553 57.480 56.048 -0.202 0.000 1.274 99 H CB -0.764 28.730 29.762 -0.446 0.000 1.364 99 H HN 0.368 nan 8.280 nan 0.000 0.490 100 A N 1.431 124.198 122.820 -0.088 0.000 1.836 100 A HA -0.183 4.137 4.320 0.001 0.000 0.215 100 A C 2.801 180.393 177.584 0.013 0.000 1.214 100 A CA 1.768 53.826 52.037 0.034 0.000 0.636 100 A CB -1.247 17.767 19.000 0.022 0.000 0.847 100 A HN 0.334 nan 8.150 nan 0.000 0.451 101 L N -0.421 120.778 121.223 -0.041 0.000 2.123 101 L HA -0.341 3.999 4.340 0.001 0.000 0.217 101 L C 2.716 179.568 176.870 -0.029 0.000 1.081 101 L CA 2.229 57.049 54.840 -0.033 0.000 0.772 101 L CB -0.662 41.354 42.059 -0.070 0.000 0.890 101 L HN 0.774 nan 8.230 nan 0.000 0.437 102 E N 0.140 120.278 120.200 -0.102 0.000 2.047 102 E HA -0.232 4.118 4.350 0.001 0.000 0.191 102 E C 1.266 177.854 176.600 -0.020 0.000 0.987 102 E CA 1.522 57.837 56.400 -0.141 0.000 0.799 102 E CB 0.054 29.528 29.700 -0.377 0.000 0.752 102 E HN 0.442 nan 8.360 nan 0.000 0.449 103 D N -0.235 120.145 120.400 -0.034 0.000 2.349 103 D HA 0.047 4.688 4.640 0.001 0.000 0.224 103 D C 0.534 176.805 176.300 -0.048 0.000 1.029 103 D CA 0.623 54.539 54.000 -0.140 0.000 0.879 103 D CB 0.696 41.173 40.800 -0.539 0.000 0.906 103 D HN 0.242 nan 8.370 nan 0.000 0.528 104 A N -0.204 122.642 122.820 0.043 0.000 2.460 104 A HA 0.484 4.805 4.320 0.001 0.000 0.258 104 A C 1.583 179.225 177.584 0.096 0.000 1.300 104 A CA 0.332 52.431 52.037 0.103 0.000 0.913 104 A CB -0.188 18.873 19.000 0.102 0.000 1.031 104 A HN 0.113 nan 8.150 nan 0.000 0.512 105 G N -0.271 108.592 108.800 0.105 0.000 2.258 105 G HA2 -0.285 3.676 3.960 0.001 0.000 0.274 105 G HA3 -0.285 3.676 3.960 0.001 0.000 0.274 105 G C 0.184 175.164 174.900 0.132 0.000 1.021 105 G CA 0.582 45.762 45.100 0.132 0.000 0.798 105 G HN 0.631 nan 8.290 nan 0.000 0.507 106 Q N -0.501 119.369 119.800 0.118 0.000 2.923 106 Q HA 0.597 4.938 4.340 0.001 0.000 0.363 106 Q C 1.984 178.082 176.000 0.163 0.000 1.159 106 Q CA 0.100 55.970 55.803 0.112 0.000 1.073 106 Q CB 0.546 29.326 28.738 0.070 0.000 1.364 106 Q HN 0.563 nan 8.270 nan 0.000 0.466 107 A N 1.428 124.408 122.820 0.267 0.000 1.882 107 A HA -0.304 4.016 4.320 0.001 0.000 0.220 107 A C 1.905 179.746 177.584 0.428 0.000 1.253 107 A CA 1.755 54.082 52.037 0.483 0.000 0.664 107 A CB -0.165 19.070 19.000 0.393 0.000 0.838 107 A HN 0.466 nan 8.150 nan 0.000 0.460 108 E N -0.651 119.690 120.200 0.236 0.000 2.077 108 E HA -0.135 4.215 4.350 0.001 0.000 0.193 108 E C 2.340 179.025 176.600 0.141 0.000 0.989 108 E CA 1.310 57.812 56.400 0.170 0.000 0.800 108 E CB -0.594 29.160 29.700 0.090 0.000 0.746 108 E HN 0.639 nan 8.360 nan 0.000 0.452 109 A N 1.255 124.137 122.820 0.103 0.000 2.014 109 A HA 0.040 4.361 4.320 0.001 0.000 0.218 109 A C 2.380 179.979 177.584 0.026 0.000 1.163 109 A CA 1.513 53.583 52.037 0.055 0.000 0.652 109 A CB -0.343 18.676 19.000 0.033 0.000 0.808 109 A HN 0.248 nan 8.150 nan 0.000 0.449 110 A N 0.178 123.024 122.820 0.043 0.000 1.877 110 A HA 0.145 4.466 4.320 0.001 0.000 0.216 110 A C 2.488 180.082 177.584 0.016 0.000 1.186 110 A CA 2.013 53.999 52.037 -0.084 0.000 0.620 110 A CB -1.049 17.837 19.000 -0.190 0.000 0.822 110 A HN 1.059 nan 8.150 nan 0.000 0.443 111 A N -0.304 122.672 122.820 0.260 0.000 2.019 111 A HA 0.180 4.501 4.320 0.001 0.000 0.219 111 A C 2.426 180.132 177.584 0.204 0.000 1.164 111 A CA 1.939 54.200 52.037 0.375 0.000 0.644 111 A CB -0.854 18.417 19.000 0.452 0.000 0.805 111 A HN 1.024 nan 8.150 nan 0.000 0.449 112 A N -0.039 122.851 122.820 0.116 0.000 1.902 112 A HA 0.167 4.488 4.320 0.001 0.000 0.217 112 A C 2.507 180.108 177.584 0.029 0.000 1.181 112 A CA 2.033 54.110 52.037 0.066 0.000 0.623 112 A CB -0.992 18.031 19.000 0.040 0.000 0.818 112 A HN 0.990 nan 8.150 nan 0.000 0.443 113 A N -1.280 121.513 122.820 -0.045 0.000 1.855 113 A HA -0.058 4.263 4.320 0.001 0.000 0.215 113 A C 2.073 179.587 177.584 -0.117 0.000 1.191 113 A CA 1.570 53.525 52.037 -0.136 0.000 0.613 113 A CB -0.922 17.906 19.000 -0.286 0.000 0.829 113 A HN 0.535 nan 8.150 nan 0.000 0.442 114 Y N 0.788 121.055 120.300 -0.055 0.000 2.207 114 Y HA -0.185 4.365 4.550 0.000 0.000 0.287 114 Y C 2.983 178.892 175.900 0.015 0.000 1.156 114 Y CA 1.658 59.726 58.100 -0.054 0.000 1.182 114 Y CB -1.188 37.223 38.460 -0.082 0.000 0.979 114 Y HN 0.279 nan 8.280 nan 0.000 0.521 115 T N -0.537 114.129 114.554 0.187 0.000 2.674 115 T HA -0.215 4.135 4.350 0.001 0.000 0.265 115 T C 2.086 176.866 174.700 0.134 0.000 1.039 115 T CA 1.625 63.820 62.100 0.159 0.000 1.150 115 T CB -0.217 68.725 68.868 0.123 0.000 0.864 115 T HN 0.230 nan 8.240 nan 0.000 0.427 116 R N 0.493 121.039 120.500 0.077 0.000 2.083 116 R HA -0.080 4.261 4.340 0.001 0.000 0.237 116 R C 2.648 178.975 176.300 0.046 0.000 1.137 116 R CA 1.436 57.562 56.100 0.044 0.000 0.951 116 R CB -0.490 29.818 30.300 0.013 0.000 0.851 116 R HN 0.378 nan 8.270 nan 0.000 0.434 117 A N -0.163 122.689 122.820 0.054 0.000 1.917 117 A HA -0.276 4.045 4.320 0.001 0.000 0.219 117 A C 1.952 179.596 177.584 0.100 0.000 1.182 117 A CA 2.084 54.156 52.037 0.059 0.000 0.633 117 A CB -0.892 18.145 19.000 0.063 0.000 0.819 117 A HN 0.562 nan 8.150 nan 0.000 0.448 118 H N -0.779 118.315 119.070 0.041 0.000 2.389 118 H HA -0.079 4.478 4.556 0.001 0.000 0.299 118 H C 2.118 177.459 175.328 0.022 0.000 1.081 118 H CA 2.013 58.081 56.048 0.034 0.000 1.345 118 H CB -0.248 29.538 29.762 0.041 0.000 1.393 118 H HN 0.516 nan 8.280 nan 0.000 0.520 119 Q N -0.242 119.542 119.800 -0.028 0.000 2.152 119 Q HA -0.108 4.232 4.340 0.001 0.000 0.206 119 Q C 2.076 178.019 176.000 -0.094 0.000 0.985 119 Q CA 1.913 57.669 55.803 -0.079 0.000 0.863 119 Q CB -0.040 28.689 28.738 -0.014 0.000 0.904 119 Q HN 0.524 nan 8.270 nan 0.000 0.422 120 L N -1.162 120.027 121.223 -0.057 0.000 2.477 120 L HA 0.130 4.471 4.340 0.001 0.000 0.220 120 L C 0.342 177.176 176.870 -0.061 0.000 1.106 120 L CA 0.145 54.953 54.840 -0.053 0.000 0.851 120 L CB 0.382 42.419 42.059 -0.036 0.000 0.994 120 L HN 0.087 nan 8.230 nan 0.000 0.462 121 L N 0.359 121.545 121.223 -0.062 0.000 2.551 121 L HA 0.244 4.585 4.340 0.001 0.000 0.248 121 L C -1.748 175.077 176.870 -0.075 0.000 1.509 121 L CA -1.135 53.676 54.840 -0.047 0.000 0.842 121 L CB 1.243 43.302 42.059 0.000 0.000 1.087 121 L HN -0.163 nan 8.230 nan 0.000 0.512 122 P HA -0.243 nan 4.420 nan 0.000 0.217 122 P C 1.271 178.547 177.300 -0.040 0.000 1.151 122 P CA 1.361 64.325 63.100 -0.226 0.000 0.849 122 P CB 0.244 31.851 31.700 -0.156 0.000 0.787 123 E N -1.144 119.053 120.200 -0.005 0.000 2.442 123 E HA -0.051 4.300 4.350 0.001 0.000 0.195 123 E C 0.500 177.136 176.600 0.060 0.000 1.030 123 E CA 0.507 56.925 56.400 0.030 0.000 0.869 123 E CB -0.443 29.264 29.700 0.012 0.000 0.857 123 E HN 0.151 nan 8.360 nan 0.000 0.505 124 E N 2.621 122.868 120.200 0.079 0.000 2.003 124 E HA 0.113 4.463 4.350 0.001 0.000 0.279 124 E C -1.848 174.834 176.600 0.136 0.000 1.132 124 E CA -2.455 54.007 56.400 0.104 0.000 0.888 124 E CB 1.513 31.276 29.700 0.105 0.000 1.056 124 E HN 0.002 nan 8.360 nan 0.000 0.399 125 P HA -0.151 nan 4.420 nan 0.000 0.216 125 P C 1.231 178.595 177.300 0.107 0.000 1.153 125 P CA 0.825 63.985 63.100 0.100 0.000 0.848 125 P CB -0.066 31.682 31.700 0.080 0.000 0.787 126 Y N 1.060 121.381 120.300 0.035 0.000 2.081 126 Y HA -0.235 4.315 4.550 0.001 0.000 0.280 126 Y C 2.105 178.028 175.900 0.037 0.000 1.163 126 Y CA 1.546 59.668 58.100 0.038 0.000 1.135 126 Y CB -1.179 37.315 38.460 0.056 0.000 0.970 126 Y HN -0.195 nan 8.280 nan 0.000 0.498 127 I N -0.694 119.897 120.570 0.035 0.000 2.264 127 I HA -0.359 3.811 4.170 0.001 0.000 0.248 127 I C 2.107 178.152 176.117 -0.120 0.000 1.111 127 I CA 1.823 63.102 61.300 -0.034 0.000 1.382 127 I CB -0.860 37.225 38.000 0.142 0.000 1.060 127 I HN 0.266 nan 8.210 nan 0.000 0.418 128 T N 0.870 115.380 114.554 -0.073 0.000 2.737 128 T HA -0.094 4.257 4.350 0.001 0.000 0.265 128 T C 2.180 176.752 174.700 -0.214 0.000 1.038 128 T CA 1.288 63.259 62.100 -0.215 0.000 1.144 128 T CB -0.403 68.419 68.868 -0.077 0.000 0.866 128 T HN 0.468 nan 8.240 nan 0.000 0.434 129 A N 1.870 124.594 122.820 -0.160 0.000 1.883 129 A HA -0.207 4.114 4.320 0.001 0.000 0.217 129 A C 2.420 179.869 177.584 -0.225 0.000 1.186 129 A CA 1.433 53.382 52.037 -0.145 0.000 0.624 129 A CB -0.724 18.214 19.000 -0.103 0.000 0.822 129 A HN 0.322 nan 8.150 nan 0.000 0.444 130 Q N -0.875 118.690 119.800 -0.392 0.000 2.029 130 Q HA -0.235 4.106 4.340 0.001 0.000 0.209 130 Q C 2.159 177.899 176.000 -0.433 0.000 0.999 130 Q CA 1.841 57.329 55.803 -0.525 0.000 0.857 130 Q CB -0.950 27.319 28.738 -0.781 0.000 0.926 130 Q HN 0.588 nan 8.270 nan 0.000 0.415 131 L N 0.491 121.500 121.223 -0.358 0.000 2.042 131 L HA -0.167 4.174 4.340 0.001 0.000 0.210 131 L C 2.265 179.082 176.870 -0.089 0.000 1.076 131 L CA 1.425 56.148 54.840 -0.194 0.000 0.749 131 L CB -0.850 41.105 42.059 -0.173 0.000 0.893 131 L HN 0.253 nan 8.230 nan 0.000 0.432 132 L N -0.130 121.022 121.223 -0.118 0.000 2.017 132 L HA -0.236 4.105 4.340 0.001 0.000 0.208 132 L C 2.328 179.186 176.870 -0.020 0.000 1.073 132 L CA 2.087 56.890 54.840 -0.061 0.000 0.745 132 L CB -1.109 40.908 42.059 -0.071 0.000 0.894 132 L HN 0.537 nan 8.230 nan 0.000 0.432 133 N N -1.014 117.671 118.700 -0.026 0.000 2.120 133 N HA -0.286 4.454 4.740 0.001 0.000 0.188 133 N C 1.977 177.527 175.510 0.067 0.000 1.024 133 N CA 1.614 54.674 53.050 0.016 0.000 0.852 133 N CB -0.388 38.119 38.487 0.032 0.000 1.003 133 N HN 0.630 nan 8.380 nan 0.000 0.424 134 W N 1.830 123.053 121.300 -0.128 0.000 2.388 134 W HA -0.057 4.603 4.660 0.000 0.000 0.294 134 W C 2.034 178.556 176.519 0.005 0.000 1.212 134 W CA 0.657 57.960 57.345 -0.070 0.000 1.271 134 W CB -0.031 29.351 29.460 -0.131 0.000 1.126 134 W HN 0.162 nan 8.180 nan 0.000 0.535 135 R N -0.241 120.278 120.500 0.032 0.000 2.148 135 R HA -0.070 4.271 4.340 0.001 0.000 0.223 135 R C 2.274 178.584 176.300 0.017 0.000 1.088 135 R CA 0.725 56.833 56.100 0.012 0.000 0.985 135 R CB -0.235 30.104 30.300 0.066 0.000 0.880 135 R HN 0.134 nan 8.270 nan 0.000 0.451 136 R N 0.232 120.758 120.500 0.043 0.000 2.092 136 R HA -0.032 4.309 4.340 0.001 0.000 0.231 136 R C 2.169 178.508 176.300 0.066 0.000 1.119 136 R CA 0.997 57.172 56.100 0.126 0.000 0.970 136 R CB -0.093 30.272 30.300 0.109 0.000 0.864 136 R HN 0.166 nan 8.270 nan 0.000 0.440 137 R N 0.418 120.863 120.500 -0.090 0.000 2.152 137 R HA -0.058 4.282 4.340 0.001 0.000 0.232 137 R C 1.648 177.794 176.300 -0.258 0.000 1.117 137 R CA 0.945 56.923 56.100 -0.203 0.000 0.981 137 R CB -0.035 29.915 30.300 -0.584 0.000 0.870 137 R HN 0.226 nan 8.270 nan 0.000 0.451 138 L N -0.897 120.165 121.223 -0.269 0.000 2.693 138 L HA 0.147 4.488 4.340 0.001 0.000 0.235 138 L C 0.463 177.202 176.870 -0.218 0.000 1.127 138 L CA -0.393 54.313 54.840 -0.223 0.000 0.914 138 L CB 0.385 42.322 42.059 -0.203 0.000 1.193 138 L HN 0.201 nan 8.230 nan 0.000 0.502 139 C N 0.377 119.572 119.300 -0.175 0.000 4.233 139 C HA -0.201 4.259 4.460 0.001 0.000 0.292 139 C C 0.916 175.390 174.990 -0.860 0.000 1.469 139 C CA 0.353 59.115 59.018 -0.426 0.000 2.013 139 C CB -2.674 24.741 27.740 -0.541 0.000 1.282 139 C HN 0.614 nan 8.230 nan 0.000 0.796 140 D N -0.053 120.139 120.400 -0.347 0.000 2.367 140 D HA 0.122 4.763 4.640 0.001 0.000 0.255 140 D C 0.565 176.867 176.300 0.004 0.000 1.300 140 D CA -0.130 53.742 54.000 -0.214 0.000 0.959 140 D CB 0.145 40.904 40.800 -0.069 0.000 1.064 140 D HN 0.585 nan 8.370 nan 0.000 0.509 141 W N 3.779 125.042 121.300 -0.061 0.000 3.400 141 W HA 0.173 4.835 4.660 0.003 0.000 0.347 141 W C 0.512 177.013 176.519 -0.030 0.000 1.218 141 W CA -0.712 56.593 57.345 -0.067 0.000 1.837 141 W CB -0.718 28.670 29.460 -0.119 0.000 1.067 141 W HN 0.129 nan 8.180 nan 0.000 0.701 142 R N 1.304 121.904 120.500 0.167 0.000 2.458 142 R HA 0.215 4.556 4.340 0.001 0.000 0.303 142 R C 1.210 177.571 176.300 0.102 0.000 1.013 142 R CA 0.794 56.963 56.100 0.115 0.000 1.026 142 R CB 0.218 30.566 30.300 0.080 0.000 0.948 142 R HN 0.075 nan 8.270 nan 0.000 0.417 143 A N 2.762 125.635 122.820 0.088 0.000 2.832 143 A HA -0.201 4.119 4.320 0.001 0.000 0.280 143 A C 1.056 178.670 177.584 0.050 0.000 1.464 143 A CA 0.806 52.883 52.037 0.067 0.000 0.804 143 A CB -1.510 17.533 19.000 0.071 0.000 1.020 143 A HN 0.738 nan 8.150 nan 0.000 0.563 144 L N 0.117 121.370 121.223 0.051 0.000 2.027 144 L HA -0.112 4.229 4.340 0.001 0.000 0.206 144 L C 2.139 178.996 176.870 -0.021 0.000 1.074 144 L CA 2.771 57.619 54.840 0.014 0.000 0.745 144 L CB -0.429 41.624 42.059 -0.010 0.000 0.898 144 L HN 0.574 nan 8.230 nan 0.000 0.433 145 D N -0.715 119.671 120.400 -0.022 0.000 2.126 145 D HA -0.230 4.410 4.640 0.001 0.000 0.190 145 D C 2.302 178.596 176.300 -0.009 0.000 1.001 145 D CA 1.868 55.852 54.000 -0.027 0.000 0.841 145 D CB -0.743 40.047 40.800 -0.018 0.000 0.949 145 D HN 0.294 nan 8.370 nan 0.000 0.446 146 V N 1.241 121.162 119.914 0.011 0.000 2.287 146 V HA -0.236 3.885 4.120 0.001 0.000 0.248 146 V C 2.728 178.834 176.094 0.021 0.000 1.053 146 V CA 1.311 63.625 62.300 0.024 0.000 1.027 146 V CB -0.518 31.332 31.823 0.044 0.000 0.646 146 V HN 0.177 nan 8.190 nan 0.000 0.447 147 L N -0.633 120.596 121.223 0.010 0.000 2.056 147 L HA -0.145 4.195 4.340 0.001 0.000 0.207 147 L C 2.700 179.558 176.870 -0.021 0.000 1.078 147 L CA 1.718 56.549 54.840 -0.015 0.000 0.749 147 L CB -0.648 41.384 42.059 -0.046 0.000 0.901 147 L HN 0.328 nan 8.230 nan 0.000 0.433 148 S N -0.406 115.276 115.700 -0.030 0.000 2.368 148 S HA -0.204 4.266 4.470 0.001 0.000 0.225 148 S C 2.123 176.713 174.600 -0.017 0.000 1.030 148 S CA 1.325 59.499 58.200 -0.044 0.000 0.999 148 S CB -0.104 63.050 63.200 -0.077 0.000 0.844 148 S HN 0.453 nan 8.310 nan 0.000 0.459 149 A N 0.995 123.811 122.820 -0.008 0.000 1.851 149 A HA -0.182 4.139 4.320 0.001 0.000 0.216 149 A C 2.085 179.685 177.584 0.026 0.000 1.195 149 A CA 1.821 53.862 52.037 0.007 0.000 0.622 149 A CB -1.037 17.967 19.000 0.007 0.000 0.831 149 A HN 0.677 nan 8.150 nan 0.000 0.444 150 Q N -0.598 119.220 119.800 0.030 0.000 2.096 150 Q HA -0.194 4.147 4.340 0.001 0.000 0.208 150 Q C 2.172 178.200 176.000 0.047 0.000 0.993 150 Q CA 2.037 57.866 55.803 0.042 0.000 0.862 150 Q CB -0.496 28.274 28.738 0.055 0.000 0.915 150 Q HN 0.512 nan 8.270 nan 0.000 0.416 151 V N 0.563 120.506 119.914 0.049 0.000 2.358 151 V HA -0.253 3.867 4.120 0.001 0.000 0.246 151 V C 2.166 178.340 176.094 0.132 0.000 1.047 151 V CA 1.826 64.173 62.300 0.079 0.000 1.035 151 V CB -0.483 31.392 31.823 0.086 0.000 0.658 151 V HN 0.289 nan 8.190 nan 0.000 0.452 152 R N 0.194 120.786 120.500 0.154 0.000 2.081 152 R HA -0.133 4.208 4.340 0.001 0.000 0.235 152 R C 2.429 178.781 176.300 0.087 0.000 1.131 152 R CA 1.523 57.738 56.100 0.191 0.000 0.960 152 R CB -0.615 29.762 30.300 0.127 0.000 0.856 152 R HN 0.539 nan 8.270 nan 0.000 0.436 153 A N 1.106 123.958 122.820 0.054 0.000 1.902 153 A HA -0.113 4.207 4.320 0.001 0.000 0.217 153 A C 2.361 179.954 177.584 0.015 0.000 1.181 153 A CA 1.637 53.692 52.037 0.030 0.000 0.623 153 A CB -0.670 18.346 19.000 0.027 0.000 0.818 153 A HN 0.404 nan 8.150 nan 0.000 0.443 154 A N -0.544 122.287 122.820 0.017 0.000 1.908 154 A HA -0.031 4.290 4.320 0.001 0.000 0.218 154 A C 2.251 179.808 177.584 -0.044 0.000 1.181 154 A CA 1.852 53.887 52.037 -0.003 0.000 0.627 154 A CB -0.976 18.030 19.000 0.010 0.000 0.818 154 A HN 0.377 nan 8.150 nan 0.000 0.445 155 V N -0.132 119.735 119.914 -0.078 0.000 2.261 155 V HA -0.279 3.841 4.120 0.001 0.000 0.246 155 V C 3.092 179.127 176.094 -0.099 0.000 1.047 155 V CA 2.028 64.229 62.300 -0.166 0.000 1.015 155 V CB -1.303 30.325 31.823 -0.325 0.000 0.642 155 V HN 0.640 nan 8.190 nan 0.000 0.446 156 A N 0.337 123.129 122.820 -0.046 0.000 1.927 156 A HA -0.309 4.012 4.320 0.001 0.000 0.220 156 A C 1.987 179.555 177.584 -0.026 0.000 1.185 156 A CA 2.231 54.253 52.037 -0.025 0.000 0.639 156 A CB -0.506 18.494 19.000 -0.001 0.000 0.820 156 A HN 0.793 nan 8.150 nan 0.000 0.451 157 Q N -1.350 118.435 119.800 -0.024 0.000 2.247 157 Q HA 0.387 4.728 4.340 0.001 0.000 0.205 157 Q C 0.863 176.846 176.000 -0.028 0.000 0.896 157 Q CA 0.259 56.050 55.803 -0.020 0.000 0.950 157 Q CB -0.254 28.479 28.738 -0.009 0.000 1.054 157 Q HN 0.912 nan 8.270 nan 0.000 0.482 158 G N 1.431 110.202 108.800 -0.048 0.000 2.249 158 G HA2 -0.284 3.677 3.960 0.001 0.000 0.273 158 G HA3 -0.284 3.677 3.960 0.001 0.000 0.273 158 G C 0.129 175.002 174.900 -0.045 0.000 1.036 158 G CA 0.504 45.572 45.100 -0.054 0.000 0.824 158 G HN 0.503 nan 8.290 nan 0.000 0.504 159 V N -0.136 119.753 119.914 -0.041 0.000 2.666 159 V HA 0.708 4.829 4.120 0.001 0.000 0.306 159 V C 0.846 176.924 176.094 -0.027 0.000 1.156 159 V CA 0.478 62.763 62.300 -0.025 0.000 1.274 159 V CB 0.291 32.110 31.823 -0.005 0.000 1.536 159 V HN 1.040 nan 8.190 nan 0.000 0.640 160 G N 1.175 109.935 108.800 -0.066 0.000 2.741 160 G HA2 0.547 4.508 3.960 0.001 0.000 0.336 160 G HA3 0.547 4.508 3.960 0.001 0.000 0.336 160 G C 1.023 175.889 174.900 -0.058 0.000 1.022 160 G CA 0.320 45.374 45.100 -0.078 0.000 1.193 160 G HN 1.523 nan 8.290 nan 0.000 0.455 161 A N 1.906 124.743 122.820 0.028 0.000 2.098 161 A HA -0.288 4.033 4.320 0.001 0.000 0.227 161 A C 1.234 178.894 177.584 0.128 0.000 0.558 161 A CA 2.097 54.227 52.037 0.155 0.000 1.098 161 A CB -1.795 17.293 19.000 0.145 0.000 1.442 161 A HN 1.352 nan 8.150 nan 0.000 0.702 162 V N 1.533 121.443 119.914 -0.008 0.000 2.461 162 V HA 0.418 4.539 4.120 0.001 0.000 0.275 162 V C 0.524 176.567 176.094 -0.086 0.000 1.047 162 V CA -0.199 62.078 62.300 -0.039 0.000 0.955 162 V CB 1.500 33.255 31.823 -0.113 0.000 0.988 162 V HN 0.492 nan 8.190 nan 0.000 0.471 163 E N 7.507 127.703 120.200 -0.007 0.000 2.180 163 E HA 0.207 4.558 4.350 0.001 0.000 0.283 163 E C -1.812 174.784 176.600 -0.006 0.000 1.061 163 E CA -2.182 54.203 56.400 -0.024 0.000 0.861 163 E CB 1.825 31.585 29.700 0.099 0.000 1.056 163 E HN 0.344 nan 8.360 nan 0.000 0.407 164 P HA -0.203 nan 4.420 nan 0.000 0.218 164 P C 1.182 178.671 177.300 0.315 0.000 1.154 164 P CA 1.239 64.282 63.100 -0.095 0.000 0.872 164 P CB -0.120 31.207 31.700 -0.621 0.000 0.790 165 F N 0.152 120.269 119.950 0.279 0.000 2.186 165 F HA -0.112 4.415 4.527 0.000 0.000 0.299 165 F C 2.135 178.057 175.800 0.204 0.000 1.090 165 F CA 1.460 59.700 58.000 0.399 0.000 1.307 165 F CB -0.670 38.564 39.000 0.390 0.000 1.019 165 F HN -0.142 nan 8.300 nan 0.000 0.489 166 A N -0.350 122.614 122.820 0.238 0.000 1.969 166 A HA -0.196 4.124 4.320 0.001 0.000 0.218 166 A C 2.028 179.614 177.584 0.003 0.000 1.169 166 A CA 1.251 53.324 52.037 0.059 0.000 0.635 166 A CB -1.545 17.521 19.000 0.110 0.000 0.810 166 A HN 0.511 nan 8.150 nan 0.000 0.445 167 F N 0.367 120.269 119.950 -0.079 0.000 2.451 167 F HA -0.023 4.505 4.527 0.001 0.000 0.299 167 F C 1.659 177.367 175.800 -0.153 0.000 1.101 167 F CA 0.779 58.718 58.000 -0.101 0.000 1.436 167 F CB -0.164 38.783 39.000 -0.089 0.000 1.074 167 F HN 0.137 nan 8.300 nan 0.000 0.553 168 L N -0.968 120.133 121.223 -0.203 0.000 2.275 168 L HA -0.197 4.144 4.340 0.001 0.000 0.215 168 L C 2.259 178.912 176.870 -0.361 0.000 1.119 168 L CA 1.070 55.661 54.840 -0.416 0.000 0.790 168 L CB -0.626 40.985 42.059 -0.747 0.000 0.919 168 L HN 0.009 nan 8.230 nan 0.000 0.443 169 S N -1.133 114.450 115.700 -0.195 0.000 2.481 169 S HA -0.018 4.453 4.470 0.001 0.000 0.231 169 S C 0.654 175.128 174.600 -0.209 0.000 0.996 169 S CA 0.474 58.632 58.200 -0.070 0.000 0.942 169 S CB -0.162 63.037 63.200 -0.001 0.000 0.768 169 S HN 0.327 nan 8.310 nan 0.000 0.520 170 E N 1.894 121.864 120.200 -0.382 0.000 2.318 170 E HA 0.179 4.529 4.350 0.001 0.000 0.265 170 E C -0.645 175.723 176.600 -0.386 0.000 1.069 170 E CA -0.414 55.736 56.400 -0.416 0.000 0.893 170 E CB 0.280 29.611 29.700 -0.614 0.000 1.076 170 E HN 0.019 nan 8.360 nan 0.000 0.414 171 D N 1.020 121.251 120.400 -0.281 0.000 2.801 171 D HA 0.246 4.887 4.640 0.001 0.000 0.232 171 D C -0.547 175.630 176.300 -0.206 0.000 1.128 171 D CA 0.097 53.970 54.000 -0.210 0.000 1.003 171 D CB -0.218 40.505 40.800 -0.129 0.000 1.110 171 D HN 0.310 nan 8.370 nan 0.000 0.477 172 A N 0.737 123.388 122.820 -0.280 0.000 2.324 172 A HA 0.520 4.841 4.320 0.001 0.000 0.330 172 A C 0.702 178.195 177.584 -0.153 0.000 1.165 172 A CA -0.697 51.220 52.037 -0.201 0.000 0.813 172 A CB 0.957 19.806 19.000 -0.251 0.000 1.197 172 A HN 0.272 nan 8.150 nan 0.000 0.484 173 S N 1.364 116.989 115.700 -0.124 0.000 2.572 173 S HA 0.320 4.791 4.470 0.001 0.000 0.267 173 S C 1.435 175.890 174.600 -0.242 0.000 1.361 173 S CA 0.026 58.110 58.200 -0.193 0.000 1.009 173 S CB 0.611 63.683 63.200 -0.213 0.000 0.888 173 S HN 1.849 nan 8.310 nan 0.000 0.553 174 A N 2.400 124.984 122.820 -0.394 0.000 1.927 174 A HA -0.029 4.291 4.320 0.001 0.000 0.220 174 A C 2.485 179.815 177.584 -0.422 0.000 1.185 174 A CA 2.390 54.159 52.037 -0.447 0.000 0.639 174 A CB -1.831 16.799 19.000 -0.617 0.000 0.820 174 A HN 1.469 nan 8.150 nan 0.000 0.451 175 A N -0.312 122.143 122.820 -0.607 0.000 1.865 175 A HA -0.237 4.084 4.320 0.001 0.000 0.217 175 A C 1.928 179.499 177.584 -0.022 0.000 1.191 175 A CA 1.852 53.817 52.037 -0.120 0.000 0.623 175 A CB -0.668 18.334 19.000 0.003 0.000 0.826 175 A HN 0.662 nan 8.150 nan 0.000 0.444 176 E N -0.626 119.560 120.200 -0.023 0.000 2.110 176 E HA -0.230 4.121 4.350 0.001 0.000 0.193 176 E C 2.322 178.958 176.600 0.061 0.000 0.988 176 E CA 1.300 57.732 56.400 0.054 0.000 0.804 176 E CB -0.191 29.607 29.700 0.162 0.000 0.745 176 E HN 0.732 nan 8.360 nan 0.000 0.458 177 Q N 0.333 120.201 119.800 0.112 0.000 2.050 177 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 177 Q C 2.372 178.344 176.000 -0.047 0.000 0.980 177 Q CA 1.098 56.965 55.803 0.108 0.000 0.840 177 Q CB -0.185 28.589 28.738 0.061 0.000 0.898 177 Q HN 0.199 nan 8.270 nan 0.000 0.424 178 L N 0.780 121.972 121.223 -0.052 0.000 2.043 178 L HA -0.207 4.134 4.340 0.001 0.000 0.212 178 L C 2.138 178.963 176.870 -0.075 0.000 1.075 178 L CA 2.259 57.067 54.840 -0.055 0.000 0.752 178 L CB -0.878 41.191 42.059 0.018 0.000 0.891 178 L HN 0.151 nan 8.230 nan 0.000 0.432 179 A N -1.122 121.653 122.820 -0.075 0.000 1.865 179 A HA -0.320 4.001 4.320 0.001 0.000 0.217 179 A C 2.557 180.023 177.584 -0.197 0.000 1.191 179 A CA 1.969 53.941 52.037 -0.108 0.000 0.623 179 A CB -1.730 17.217 19.000 -0.089 0.000 0.826 179 A HN 0.712 nan 8.150 nan 0.000 0.444 180 C N -0.780 118.328 119.300 -0.321 0.000 2.413 180 C HA 0.045 4.506 4.460 0.001 0.000 0.277 180 C C 3.141 177.896 174.990 -0.393 0.000 1.265 180 C CA 1.374 60.101 59.018 -0.486 0.000 1.752 180 C CB -1.378 25.813 27.740 -0.916 0.000 1.998 180 C HN 0.662 nan 8.230 nan 0.000 0.489 181 A N 0.268 122.922 122.820 -0.276 0.000 1.872 181 A HA -0.093 4.228 4.320 0.001 0.000 0.214 181 A C 2.406 179.923 177.584 -0.111 0.000 1.187 181 A CA 1.463 53.373 52.037 -0.212 0.000 0.614 181 A CB -0.799 18.196 19.000 -0.008 0.000 0.826 181 A HN 0.713 nan 8.150 nan 0.000 0.442 182 R N -0.656 119.783 120.500 -0.101 0.000 2.081 182 R HA -0.123 4.218 4.340 0.001 0.000 0.235 182 R C 2.081 178.334 176.300 -0.078 0.000 1.131 182 R CA 2.024 58.074 56.100 -0.083 0.000 0.960 182 R CB -0.716 29.538 30.300 -0.078 0.000 0.856 182 R HN 0.444 nan 8.270 nan 0.000 0.436 183 T N 0.578 115.062 114.554 -0.117 0.000 2.635 183 T HA -0.210 4.141 4.350 0.001 0.000 0.267 183 T C 1.796 176.443 174.700 -0.087 0.000 1.040 183 T CA 1.987 64.022 62.100 -0.107 0.000 1.156 183 T CB -0.239 68.538 68.868 -0.152 0.000 0.863 183 T HN 0.285 nan 8.240 nan 0.000 0.430 184 R N 0.842 121.241 120.500 -0.169 0.000 2.066 184 R HA 0.107 4.448 4.340 0.001 0.000 0.232 184 R C 2.500 178.891 176.300 0.150 0.000 1.131 184 R CA 1.452 57.453 56.100 -0.166 0.000 0.955 184 R CB -0.781 29.124 30.300 -0.658 0.000 0.851 184 R HN 0.350 nan 8.270 nan 0.000 0.432 185 A N 0.521 123.508 122.820 0.278 0.000 1.859 185 A HA -0.277 4.044 4.320 0.001 0.000 0.217 185 A C 2.088 179.857 177.584 0.308 0.000 1.198 185 A CA 1.869 54.140 52.037 0.390 0.000 0.629 185 A CB -0.773 18.178 19.000 -0.082 0.000 0.830 185 A HN 0.529 nan 8.150 nan 0.000 0.446 186 Q N -0.844 119.032 119.800 0.125 0.000 2.152 186 Q HA -0.177 4.164 4.340 0.001 0.000 0.206 186 Q C 2.389 178.468 176.000 0.132 0.000 0.985 186 Q CA 1.452 57.321 55.803 0.110 0.000 0.863 186 Q CB -0.421 28.339 28.738 0.037 0.000 0.904 186 Q HN 0.722 nan 8.270 nan 0.000 0.422 187 A N 0.699 123.590 122.820 0.119 0.000 1.898 187 A HA -0.162 4.158 4.320 0.001 0.000 0.216 187 A C 2.006 179.667 177.584 0.129 0.000 1.181 187 A CA 1.082 53.177 52.037 0.097 0.000 0.620 187 A CB -0.515 18.522 19.000 0.063 0.000 0.819 187 A HN 0.300 nan 8.150 nan 0.000 0.442 188 I N -0.312 120.385 120.570 0.212 0.000 2.252 188 I HA -0.261 3.909 4.170 0.001 0.000 0.245 188 I C 2.949 179.142 176.117 0.126 0.000 1.102 188 I CA 0.995 62.398 61.300 0.172 0.000 1.385 188 I CB -0.221 37.933 38.000 0.256 0.000 1.064 188 I HN 0.359 nan 8.210 nan 0.000 0.414 189 A N 0.595 123.589 122.820 0.291 0.000 1.902 189 A HA -0.176 4.144 4.320 0.001 0.000 0.217 189 A C 2.527 180.183 177.584 0.120 0.000 1.181 189 A CA 1.827 54.017 52.037 0.256 0.000 0.623 189 A CB -0.858 18.384 19.000 0.403 0.000 0.818 189 A HN 0.429 nan 8.150 nan 0.000 0.443 190 A N 0.263 123.146 122.820 0.105 0.000 1.877 190 A HA -0.101 4.220 4.320 0.001 0.000 0.216 190 A C 2.343 179.949 177.584 0.037 0.000 1.186 190 A CA 2.175 54.248 52.037 0.061 0.000 0.620 190 A CB -1.030 18.002 19.000 0.053 0.000 0.822 190 A HN 1.145 nan 8.150 nan 0.000 0.443 191 S N -1.185 114.534 115.700 0.033 0.000 2.803 191 S HA 0.307 4.778 4.470 0.001 0.000 0.226 191 S C -0.010 174.584 174.600 -0.009 0.000 0.962 191 S CA 0.373 58.580 58.200 0.012 0.000 0.968 191 S CB -0.686 62.521 63.200 0.011 0.000 0.786 191 S HN 0.329 nan 8.310 nan 0.000 0.527 192 V N 0.941 120.848 119.914 -0.012 0.000 2.752 192 V HA 0.408 4.528 4.120 0.001 0.000 0.302 192 V C -0.538 175.539 176.094 -0.028 0.000 1.133 192 V CA -0.855 61.420 62.300 -0.040 0.000 0.919 192 V CB 2.023 33.787 31.823 -0.098 0.000 1.026 192 V HN 0.280 nan 8.190 nan 0.000 0.429 193 R N 4.314 124.796 120.500 -0.030 0.000 2.202 193 R HA 0.485 4.825 4.340 0.001 0.000 0.334 193 R C -2.427 173.851 176.300 -0.037 0.000 1.036 193 R CA -1.556 54.530 56.100 -0.023 0.000 0.878 193 R CB 1.507 31.797 30.300 -0.016 0.000 1.067 193 R HN 0.448 nan 8.270 nan 0.000 0.457 194 P HA -0.064 nan 4.420 nan 0.000 0.269 194 P C -0.255 177.021 177.300 -0.040 0.000 1.217 194 P CA 0.016 63.091 63.100 -0.041 0.000 0.783 194 P CB 0.586 32.278 31.700 -0.013 0.000 0.898 195 L N 0.825 122.017 121.223 -0.053 0.000 2.436 195 L HA 0.272 4.613 4.340 0.001 0.000 0.265 195 L C 0.875 177.725 176.870 -0.034 0.000 1.168 195 L CA -0.898 53.914 54.840 -0.047 0.000 0.815 195 L CB 0.193 42.214 42.059 -0.063 0.000 1.109 195 L HN 0.457 nan 8.230 nan 0.000 0.462 196 A N 4.408 127.211 122.820 -0.027 0.000 2.598 196 A HA 0.118 4.439 4.320 0.001 0.000 0.239 196 A C -2.004 175.567 177.584 -0.021 0.000 1.032 196 A CA -0.670 51.354 52.037 -0.020 0.000 0.760 196 A CB -0.961 18.027 19.000 -0.019 0.000 0.946 196 A HN 0.463 nan 8.150 nan 0.000 0.512 197 P HA 0.300 nan 4.420 nan 0.000 0.272 197 P C -0.005 177.290 177.300 -0.009 0.000 1.223 197 P CA 0.044 63.139 63.100 -0.008 0.000 0.784 197 P CB 1.280 32.982 31.700 0.003 0.000 0.923 198 T N 0.866 115.414 114.554 -0.010 0.000 2.742 198 T HA 0.587 4.937 4.350 0.001 0.000 0.282 198 T C -1.014 173.690 174.700 0.007 0.000 1.025 198 T CA -0.756 61.338 62.100 -0.009 0.000 1.020 198 T CB 1.343 70.195 68.868 -0.028 0.000 1.317 198 T HN 0.381 nan 8.240 nan 0.000 0.538 199 R N 0.666 121.174 120.500 0.012 0.000 2.651 199 R HA 0.545 4.886 4.340 0.001 0.000 0.278 199 R C -1.201 175.123 176.300 0.039 0.000 1.010 199 R CA -0.740 55.383 56.100 0.037 0.000 0.896 199 R CB 2.126 32.454 30.300 0.047 0.000 1.211 199 R HN 0.518 nan 8.270 nan 0.000 0.456 200 V N 4.834 124.782 119.914 0.057 0.000 2.625 200 V HA -0.109 4.011 4.120 0.001 0.000 0.305 200 V C 0.934 177.097 176.094 0.115 0.000 1.055 200 V CA 0.566 62.902 62.300 0.061 0.000 1.209 200 V CB -0.376 31.500 31.823 0.088 0.000 0.877 200 V HN 0.712 nan 8.190 nan 0.000 0.489 201 R N 4.153 124.723 120.500 0.116 0.000 2.698 201 R HA 0.101 4.442 4.340 0.001 0.000 0.266 201 R C 0.854 177.353 176.300 0.332 0.000 1.026 201 R CA 0.316 56.523 56.100 0.179 0.000 1.102 201 R CB 0.254 30.649 30.300 0.159 0.000 0.978 201 R HN 0.623 nan 8.270 nan 0.000 0.436 202 S N 1.254 117.079 115.700 0.208 0.000 2.341 202 S HA 0.033 4.504 4.470 0.001 0.000 0.216 202 S C 0.290 174.913 174.600 0.038 0.000 1.034 202 S CA 0.730 59.003 58.200 0.123 0.000 0.964 202 S CB 0.075 63.298 63.200 0.040 0.000 0.882 202 S HN 0.478 nan 8.310 nan 0.000 0.469 203 K N 1.249 121.693 120.400 0.073 0.000 2.123 203 K HA 0.649 4.970 4.320 0.001 0.000 0.259 203 K C 0.291 177.015 176.600 0.208 0.000 0.960 203 K CA 0.128 56.441 56.287 0.043 0.000 0.872 203 K CB 1.076 33.581 32.500 0.010 0.000 1.079 203 K HN 0.462 nan 8.250 nan 0.000 0.440 204 G N 2.605 111.555 108.800 0.249 0.000 2.587 204 G HA2 -0.111 3.850 3.960 0.001 0.000 0.686 204 G HA3 -0.111 3.850 3.960 0.001 0.000 0.686 204 G C -3.054 172.122 174.900 0.460 0.000 1.236 204 G CA -1.266 44.006 45.100 0.286 0.000 0.820 204 G HN 0.315 nan 8.290 nan 0.000 0.645 205 P HA 0.336 nan 4.420 nan 0.000 0.266 205 P C 0.147 177.486 177.300 0.064 0.000 1.195 205 P CA -0.439 62.802 63.100 0.235 0.000 0.768 205 P CB 0.603 32.397 31.700 0.156 0.000 0.838 206 L N 4.727 125.849 121.223 -0.168 0.000 2.361 206 L HA 0.133 4.473 4.340 0.001 0.000 0.278 206 L C 0.686 177.475 176.870 -0.134 0.000 1.113 206 L CA 0.352 54.949 54.840 -0.406 0.000 0.849 206 L CB -0.318 41.294 42.059 -0.745 0.000 1.155 206 L HN 0.251 nan 8.230 nan 0.000 0.452 207 R N 4.557 124.999 120.500 -0.097 0.000 2.205 207 R HA 0.422 4.762 4.340 0.001 0.000 0.342 207 R C -1.136 175.178 176.300 0.024 0.000 1.058 207 R CA -0.532 55.575 56.100 0.012 0.000 0.904 207 R CB 0.685 30.959 30.300 -0.044 0.000 1.089 207 R HN 0.365 nan 8.270 nan 0.000 0.471 208 V N 2.496 122.498 119.914 0.147 0.000 2.409 208 V HA 0.518 4.638 4.120 0.001 0.000 0.291 208 V C 0.582 176.825 176.094 0.248 0.000 1.020 208 V CA -0.786 61.609 62.300 0.159 0.000 0.848 208 V CB 1.731 33.687 31.823 0.221 0.000 0.990 208 V HN 0.907 nan 8.190 nan 0.000 0.430 209 G N 3.085 111.964 108.800 0.131 0.000 2.473 209 G HA2 0.795 4.755 3.960 0.001 0.000 0.321 209 G HA3 0.795 4.755 3.960 0.001 0.000 0.321 209 G C -1.518 173.408 174.900 0.044 0.000 1.200 209 G CA -0.490 44.794 45.100 0.307 0.000 0.963 209 G HN 0.425 nan 8.290 nan 0.000 0.483 210 F N 0.411 120.738 119.950 0.629 0.000 2.562 210 F HA 0.410 4.938 4.527 0.001 0.000 0.319 210 F C -0.117 176.121 175.800 0.731 0.000 1.154 210 F CA -0.832 57.581 58.000 0.688 0.000 0.931 210 F CB 2.635 42.040 39.000 0.676 0.000 1.198 210 F HN 0.247 nan 8.300 nan 0.000 0.444 211 V N 2.444 122.803 119.914 0.743 0.000 2.427 211 V HA 0.784 4.905 4.120 0.001 0.000 0.286 211 V C -0.224 176.095 176.094 0.376 0.000 1.034 211 V CA -0.319 62.329 62.300 0.579 0.000 0.893 211 V CB 1.523 33.612 31.823 0.443 0.000 0.982 211 V HN 0.805 nan 8.190 nan 0.000 0.452 212 S N 2.714 118.500 115.700 0.144 0.000 2.587 212 S HA 0.376 4.847 4.470 0.001 0.000 0.269 212 S C -0.079 174.355 174.600 -0.278 0.000 1.154 212 S CA -0.194 57.830 58.200 -0.294 0.000 0.824 212 S CB 1.602 64.220 63.200 -0.969 0.000 1.118 212 S HN 0.962 nan 8.310 nan 0.000 0.462 213 N N 0.398 118.939 118.700 -0.264 0.000 2.177 213 N HA 0.250 4.990 4.740 0.001 0.000 0.218 213 N C 0.893 176.238 175.510 -0.277 0.000 1.182 213 N CA -0.227 52.710 53.050 -0.188 0.000 0.882 213 N CB 0.575 38.982 38.487 -0.133 0.000 1.052 213 N HN 0.489 nan 8.380 nan 0.000 0.519 214 G N -0.063 108.519 108.800 -0.363 0.000 3.337 214 G HA2 0.147 4.107 3.960 0.001 0.000 0.246 214 G HA3 0.147 4.107 3.960 0.001 0.000 0.246 214 G C -0.576 174.323 174.900 -0.001 0.000 1.131 214 G CA -0.374 44.603 45.100 -0.205 0.000 0.773 214 G HN 0.158 nan 8.290 nan 0.000 0.544 215 F N 2.119 122.132 119.950 0.105 0.000 2.619 215 F HA 0.556 5.083 4.527 0.001 0.000 0.350 215 F C 1.098 176.951 175.800 0.089 0.000 1.259 215 F CA -0.310 57.735 58.000 0.075 0.000 1.204 215 F CB 0.358 39.379 39.000 0.034 0.000 1.556 215 F HN 0.228 nan 8.300 nan 0.000 0.650 216 G N 0.867 109.827 108.800 0.268 0.000 2.455 216 G HA2 0.396 4.356 3.960 0.001 0.000 0.223 216 G HA3 0.396 4.356 3.960 0.001 0.000 0.223 216 G C -1.301 173.608 174.900 0.015 0.000 1.226 216 G CA -0.268 44.919 45.100 0.144 0.000 0.948 216 G HN 0.454 nan 8.290 nan 0.000 0.478 217 A N 1.118 123.817 122.820 -0.202 0.000 3.056 217 A HA 0.691 5.012 4.320 0.001 0.000 0.274 217 A C -0.005 177.184 177.584 -0.659 0.000 1.661 217 A CA 0.015 51.850 52.037 -0.336 0.000 1.363 217 A CB -0.986 17.863 19.000 -0.252 0.000 1.139 217 A HN 0.682 nan 8.150 nan 0.000 0.598 218 H N -0.090 118.968 119.070 -0.020 0.000 3.017 218 H HA 0.219 4.776 4.556 0.001 0.000 0.346 218 H C -2.280 173.030 175.328 -0.029 0.000 1.286 218 H CA -1.562 54.476 56.048 -0.017 0.000 1.120 218 H CB 1.114 30.868 29.762 -0.014 0.000 1.860 218 H HN 0.080 nan 8.280 nan 0.000 0.542 219 P HA -0.181 nan 4.420 nan 0.000 0.215 219 P C 1.323 178.637 177.300 0.024 0.000 1.163 219 P CA 2.206 65.339 63.100 0.056 0.000 0.894 219 P CB -0.081 31.674 31.700 0.091 0.000 0.791 220 T N -0.922 113.652 114.554 0.033 0.000 2.665 220 T HA -0.150 4.201 4.350 0.001 0.000 0.268 220 T C 2.014 176.745 174.700 0.052 0.000 1.035 220 T CA 1.973 64.073 62.100 -0.001 0.000 1.151 220 T CB -1.385 67.442 68.868 -0.069 0.000 0.862 220 T HN 0.240 nan 8.240 nan 0.000 0.438 221 G N 1.038 109.901 108.800 0.105 0.000 2.422 221 G HA2 -0.125 3.836 3.960 0.001 0.000 0.218 221 G HA3 -0.125 3.836 3.960 0.001 0.000 0.218 221 G C 1.431 176.349 174.900 0.030 0.000 1.146 221 G CA 0.403 45.598 45.100 0.158 0.000 0.769 221 G HN 0.391 nan 8.290 nan 0.000 0.547 222 L N 0.067 121.266 121.223 -0.041 0.000 2.376 222 L HA 0.281 4.622 4.340 0.001 0.000 0.219 222 L C 2.314 179.095 176.870 -0.148 0.000 1.133 222 L CA 1.032 55.793 54.840 -0.132 0.000 0.816 222 L CB -0.138 41.812 42.059 -0.181 0.000 0.933 222 L HN 0.201 nan 8.230 nan 0.000 0.449 223 L N -1.963 119.178 121.223 -0.136 0.000 2.470 223 L HA 0.056 4.397 4.340 0.001 0.000 0.219 223 L C 1.824 178.521 176.870 -0.288 0.000 1.071 223 L CA 0.958 55.669 54.840 -0.215 0.000 0.850 223 L CB -0.284 41.645 42.059 -0.217 0.000 1.040 223 L HN 0.300 nan 8.230 nan 0.000 0.475 224 T N -4.549 109.885 114.554 -0.200 0.000 3.040 224 T HA 0.023 4.374 4.350 0.001 0.000 0.250 224 T C 1.611 176.223 174.700 -0.146 0.000 1.058 224 T CA 0.305 62.242 62.100 -0.272 0.000 0.988 224 T CB 0.227 69.074 68.868 -0.036 0.000 0.993 224 T HN 0.014 nan 8.240 nan 0.000 0.519 225 V N 2.096 121.968 119.914 -0.070 0.000 2.261 225 V HA -0.024 4.097 4.120 0.001 0.000 0.246 225 V C 2.865 178.915 176.094 -0.072 0.000 1.047 225 V CA 2.234 64.525 62.300 -0.014 0.000 1.015 225 V CB -1.109 30.686 31.823 -0.047 0.000 0.642 225 V HN 0.604 nan 8.190 nan 0.000 0.446 226 A N -0.632 122.091 122.820 -0.162 0.000 2.014 226 A HA -0.079 4.242 4.320 0.001 0.000 0.218 226 A C 2.060 179.517 177.584 -0.212 0.000 1.163 226 A CA 1.713 53.645 52.037 -0.175 0.000 0.652 226 A CB -0.607 18.262 19.000 -0.218 0.000 0.808 226 A HN 0.573 nan 8.150 nan 0.000 0.449 227 L N -1.195 119.827 121.223 -0.336 0.000 1.994 227 L HA -0.056 4.285 4.340 0.001 0.000 0.208 227 L C 2.054 178.707 176.870 -0.362 0.000 1.071 227 L CA 2.025 56.597 54.840 -0.447 0.000 0.745 227 L CB -0.990 40.631 42.059 -0.730 0.000 0.892 227 L HN 0.350 nan 8.230 nan 0.000 0.431 228 F N 0.176 120.001 119.950 -0.209 0.000 2.293 228 F HA -0.101 4.427 4.527 0.001 0.000 0.300 228 F C 2.447 178.173 175.800 -0.123 0.000 1.086 228 F CA 1.148 59.040 58.000 -0.180 0.000 1.375 228 F CB -0.561 38.295 39.000 -0.239 0.000 1.045 228 F HN 0.233 nan 8.300 nan 0.000 0.516 229 E N 0.098 120.320 120.200 0.037 0.000 2.051 229 E HA -0.185 4.166 4.350 0.001 0.000 0.192 229 E C 2.469 179.066 176.600 -0.004 0.000 0.991 229 E CA 1.091 57.491 56.400 -0.000 0.000 0.799 229 E CB -0.294 29.386 29.700 -0.033 0.000 0.748 229 E HN 0.323 nan 8.360 nan 0.000 0.449 230 A N 0.986 123.789 122.820 -0.029 0.000 1.877 230 A HA -0.186 4.135 4.320 0.001 0.000 0.216 230 A C 2.182 179.784 177.584 0.029 0.000 1.186 230 A CA 1.132 53.163 52.037 -0.010 0.000 0.620 230 A CB -0.733 18.252 19.000 -0.026 0.000 0.822 230 A HN 0.160 nan 8.150 nan 0.000 0.443 231 L N -0.920 120.327 121.223 0.040 0.000 2.012 231 L HA -0.282 4.058 4.340 0.001 0.000 0.210 231 L C 2.948 179.873 176.870 0.092 0.000 1.073 231 L CA 1.980 56.879 54.840 0.097 0.000 0.748 231 L CB -0.576 41.571 42.059 0.147 0.000 0.891 231 L HN 0.581 nan 8.230 nan 0.000 0.431 232 Q N 0.056 119.902 119.800 0.076 0.000 2.135 232 Q HA -0.282 4.059 4.340 0.001 0.000 0.204 232 Q C 2.343 178.366 176.000 0.039 0.000 0.981 232 Q CA 1.836 57.669 55.803 0.050 0.000 0.856 232 Q CB 0.061 28.813 28.738 0.022 0.000 0.902 232 Q HN 0.345 nan 8.270 nan 0.000 0.425 233 R N -0.552 119.969 120.500 0.034 0.000 2.062 233 R HA -0.025 4.315 4.340 0.001 0.000 0.226 233 R C 2.171 178.496 176.300 0.042 0.000 1.125 233 R CA 1.321 57.439 56.100 0.030 0.000 0.966 233 R CB 0.181 30.493 30.300 0.019 0.000 0.861 233 R HN 0.131 nan 8.270 nan 0.000 0.433 234 R N -0.943 119.589 120.500 0.054 0.000 2.146 234 R HA 0.132 4.473 4.340 0.001 0.000 0.206 234 R C 0.234 176.579 176.300 0.075 0.000 1.049 234 R CA 0.300 56.438 56.100 0.063 0.000 1.029 234 R CB 0.453 30.795 30.300 0.070 0.000 0.949 234 R HN 0.113 nan 8.270 nan 0.000 0.471 235 Q N 1.600 121.453 119.800 0.088 0.000 2.730 235 Q HA 0.174 4.515 4.340 0.001 0.000 0.244 235 Q C -2.007 174.048 176.000 0.093 0.000 1.176 235 Q CA -1.537 54.324 55.803 0.097 0.000 1.024 235 Q CB 1.419 30.227 28.738 0.116 0.000 1.215 235 Q HN 0.174 nan 8.270 nan 0.000 0.542 236 P HA -0.052 nan 4.420 nan 0.000 0.237 236 P C 0.031 177.385 177.300 0.089 0.000 1.178 236 P CA 0.629 63.774 63.100 0.075 0.000 0.766 236 P CB 0.576 32.314 31.700 0.063 0.000 0.876 237 D N -0.418 120.046 120.400 0.107 0.000 2.340 237 D HA 0.127 4.768 4.640 0.001 0.000 0.220 237 D C 0.518 176.884 176.300 0.110 0.000 1.039 237 D CA 0.396 54.479 54.000 0.139 0.000 0.866 237 D CB 0.098 41.014 40.800 0.193 0.000 0.913 237 D HN 0.262 nan 8.370 nan 0.000 0.523 238 L N 1.282 122.558 121.223 0.089 0.000 2.316 238 L HA 0.307 4.648 4.340 0.001 0.000 0.280 238 L C 0.051 176.986 176.870 0.107 0.000 1.006 238 L CA -0.522 54.362 54.840 0.073 0.000 0.836 238 L CB 2.032 44.146 42.059 0.092 0.000 1.221 238 L HN -0.263 nan 8.230 nan 0.000 0.418 239 Q N 4.220 124.087 119.800 0.112 0.000 2.337 239 Q HA 0.333 4.674 4.340 0.001 0.000 0.255 239 Q C -0.804 175.330 176.000 0.223 0.000 0.997 239 Q CA -0.540 55.347 55.803 0.140 0.000 0.925 239 Q CB 0.889 29.733 28.738 0.178 0.000 1.212 239 Q HN 0.484 nan 8.270 nan 0.000 0.436 240 M N 3.772 123.449 119.600 0.128 0.000 2.188 240 M HA 0.301 4.781 4.480 0.001 0.000 0.357 240 M C -0.733 175.552 176.300 -0.025 0.000 1.204 240 M CA -0.083 55.330 55.300 0.188 0.000 1.095 240 M CB 1.057 33.750 32.600 0.154 0.000 1.604 240 M HN 0.559 nan 8.290 nan 0.000 0.464 241 H N 3.801 122.952 119.070 0.135 0.000 2.823 241 H HA 0.409 4.966 4.556 0.001 0.000 0.332 241 H C -1.246 174.059 175.328 -0.039 0.000 0.980 241 H CA -0.748 55.292 56.048 -0.012 0.000 1.286 241 H CB 1.838 31.606 29.762 0.010 0.000 1.541 241 H HN 0.391 nan 8.280 nan 0.000 0.521 242 L N 3.769 124.874 121.223 -0.197 0.000 2.295 242 L HA 0.275 4.616 4.340 0.001 0.000 0.285 242 L C -0.379 176.396 176.870 -0.158 0.000 1.035 242 L CA -0.188 54.520 54.840 -0.220 0.000 0.806 242 L CB 0.459 42.018 42.059 -0.833 0.000 1.214 242 L HN 0.447 nan 8.230 nan 0.000 0.426 243 F N 2.698 122.867 119.950 0.364 0.000 2.307 243 F HA 0.568 5.095 4.527 0.001 0.000 0.369 243 F C 0.605 176.657 175.800 0.420 0.000 1.076 243 F CA -0.697 57.505 58.000 0.338 0.000 1.149 243 F CB 0.913 40.050 39.000 0.228 0.000 1.410 243 F HN 0.521 nan 8.300 nan 0.000 0.481 244 A N 1.584 124.676 122.820 0.454 0.000 2.404 244 A HA 0.417 4.737 4.320 0.001 0.000 0.273 244 A C 1.032 178.771 177.584 0.258 0.000 1.144 244 A CA -0.162 52.130 52.037 0.424 0.000 0.806 244 A CB -0.051 19.137 19.000 0.314 0.000 1.080 244 A HN 0.776 nan 8.150 nan 0.000 0.509 245 T N -0.600 114.066 114.554 0.187 0.000 3.163 245 T HA 0.321 4.671 4.350 0.001 0.000 0.252 245 T C 0.447 175.181 174.700 0.056 0.000 1.056 245 T CA 0.351 62.514 62.100 0.105 0.000 0.947 245 T CB -0.699 68.218 68.868 0.080 0.000 1.016 245 T HN 1.008 nan 8.240 nan 0.000 0.554 246 S N -0.247 115.496 115.700 0.072 0.000 2.536 246 S HA 0.782 5.252 4.470 0.001 0.000 0.287 246 S C 0.346 174.992 174.600 0.076 0.000 1.101 246 S CA -0.781 57.450 58.200 0.051 0.000 0.950 246 S CB 1.540 64.754 63.200 0.024 0.000 1.056 246 S HN 0.397 nan 8.310 nan 0.000 0.481 247 G N 0.532 109.364 108.800 0.054 0.000 2.653 247 G HA2 0.338 4.299 3.960 0.001 0.000 0.265 247 G HA3 0.338 4.299 3.960 0.001 0.000 0.265 247 G C -0.527 174.407 174.900 0.058 0.000 1.237 247 G CA -0.437 44.691 45.100 0.047 0.000 0.946 247 G HN 0.804 nan 8.290 nan 0.000 0.522 248 D N -0.436 119.987 120.400 0.039 0.000 2.401 248 D HA 0.059 4.700 4.640 0.001 0.000 0.254 248 D C 0.865 177.188 176.300 0.038 0.000 1.192 248 D CA -0.421 53.601 54.000 0.036 0.000 0.885 248 D CB 1.048 41.856 40.800 0.013 0.000 1.147 248 D HN 0.329 nan 8.370 nan 0.000 0.478 249 D N 2.504 122.932 120.400 0.047 0.000 2.349 249 D HA 0.113 4.754 4.640 0.001 0.000 0.214 249 D C 1.376 177.686 176.300 0.017 0.000 1.063 249 D CA 0.406 54.429 54.000 0.039 0.000 0.847 249 D CB -0.134 40.698 40.800 0.053 0.000 0.933 249 D HN 0.584 nan 8.370 nan 0.000 0.513 250 G N 0.570 109.376 108.800 0.011 0.000 2.141 250 G HA2 -0.262 3.698 3.960 0.001 0.000 0.242 250 G HA3 -0.262 3.698 3.960 0.001 0.000 0.242 250 G C 0.320 175.219 174.900 -0.002 0.000 0.982 250 G CA 0.406 45.508 45.100 0.003 0.000 0.662 250 G HN 0.766 nan 8.290 nan 0.000 0.527 251 S N -0.730 114.968 115.700 -0.004 0.000 2.652 251 S HA 0.632 5.103 4.470 0.001 0.000 0.270 251 S C 1.706 176.300 174.600 -0.011 0.000 1.243 251 S CA 0.747 58.941 58.200 -0.011 0.000 0.999 251 S CB 1.484 64.669 63.200 -0.025 0.000 0.973 251 S HN 1.136 nan 8.310 nan 0.000 0.544 252 T N 0.129 114.676 114.554 -0.012 0.000 2.867 252 T HA -0.072 4.279 4.350 0.001 0.000 0.268 252 T C 1.768 176.454 174.700 -0.023 0.000 1.057 252 T CA 1.103 63.194 62.100 -0.015 0.000 1.136 252 T CB -0.881 67.982 68.868 -0.008 0.000 0.874 252 T HN 0.513 nan 8.240 nan 0.000 0.466 253 L N 0.658 121.867 121.223 -0.024 0.000 1.970 253 L HA -0.093 4.247 4.340 0.001 0.000 0.212 253 L C 3.093 179.955 176.870 -0.014 0.000 1.071 253 L CA 1.696 56.522 54.840 -0.024 0.000 0.751 253 L CB -0.614 41.430 42.059 -0.026 0.000 0.889 253 L HN 0.188 nan 8.230 nan 0.000 0.432 254 R N 0.107 120.607 120.500 0.000 0.000 2.096 254 R HA -0.159 4.181 4.340 0.001 0.000 0.240 254 R C 2.209 178.486 176.300 -0.038 0.000 1.139 254 R CA 2.447 58.549 56.100 0.003 0.000 0.952 254 R CB -1.112 29.201 30.300 0.022 0.000 0.854 254 R HN 0.283 nan 8.270 nan 0.000 0.436 255 T N 0.350 114.881 114.554 -0.037 0.000 2.708 255 T HA -0.070 4.281 4.350 0.001 0.000 0.266 255 T C 1.859 176.519 174.700 -0.065 0.000 1.037 255 T CA 1.621 63.691 62.100 -0.050 0.000 1.146 255 T CB -0.196 68.651 68.868 -0.036 0.000 0.865 255 T HN 0.308 nan 8.240 nan 0.000 0.435 256 R N 0.462 120.928 120.500 -0.057 0.000 2.091 256 R HA 0.018 4.359 4.340 0.001 0.000 0.238 256 R C 2.465 178.710 176.300 -0.090 0.000 1.136 256 R CA 1.149 57.212 56.100 -0.062 0.000 0.959 256 R CB -0.558 29.713 30.300 -0.049 0.000 0.856 256 R HN 0.351 nan 8.270 nan 0.000 0.437 257 L N -0.163 120.995 121.223 -0.109 0.000 2.131 257 L HA -0.136 4.204 4.340 0.001 0.000 0.210 257 L C 2.470 179.185 176.870 -0.259 0.000 1.092 257 L CA 1.082 55.803 54.840 -0.197 0.000 0.759 257 L CB -0.395 41.533 42.059 -0.218 0.000 0.903 257 L HN 0.271 nan 8.230 nan 0.000 0.435 258 A N -1.019 121.685 122.820 -0.193 0.000 2.067 258 A HA -0.167 4.154 4.320 0.001 0.000 0.217 258 A C 2.164 179.641 177.584 -0.178 0.000 1.156 258 A CA 0.916 52.832 52.037 -0.202 0.000 0.683 258 A CB -0.182 18.728 19.000 -0.149 0.000 0.808 258 A HN 0.338 nan 8.150 nan 0.000 0.455 259 Q N -0.408 119.308 119.800 -0.140 0.000 2.137 259 Q HA 0.161 4.502 4.340 0.001 0.000 0.198 259 Q C 1.781 177.711 176.000 -0.117 0.000 0.960 259 Q CA 1.485 57.222 55.803 -0.111 0.000 0.847 259 Q CB -0.309 28.381 28.738 -0.080 0.000 0.915 259 Q HN 0.543 nan 8.270 nan 0.000 0.448 260 A N -0.728 122.012 122.820 -0.133 0.000 2.251 260 A HA 0.333 4.654 4.320 0.001 0.000 0.209 260 A C 0.432 177.920 177.584 -0.160 0.000 1.187 260 A CA 0.564 52.535 52.037 -0.110 0.000 0.823 260 A CB -0.027 18.938 19.000 -0.059 0.000 0.846 260 A HN 0.373 nan 8.150 nan 0.000 0.486 261 S N -2.408 113.149 115.700 -0.238 0.000 2.757 261 S HA 0.522 4.992 4.470 0.001 0.000 0.285 261 S C -0.613 173.784 174.600 -0.338 0.000 1.196 261 S CA -0.427 57.591 58.200 -0.304 0.000 0.856 261 S CB 0.682 63.612 63.200 -0.451 0.000 1.212 261 S HN 0.056 nan 8.310 nan 0.000 0.516 262 T N 1.748 116.034 114.554 -0.448 0.000 2.744 262 T HA 0.576 4.926 4.350 0.001 0.000 0.291 262 T C -0.672 173.694 174.700 -0.555 0.000 0.957 262 T CA -0.337 61.446 62.100 -0.527 0.000 1.002 262 T CB 0.460 68.911 68.868 -0.696 0.000 0.919 262 T HN 0.584 nan 8.240 nan 0.000 0.468 263 L N 5.229 126.145 121.223 -0.512 0.000 2.294 263 L HA 0.407 4.747 4.340 0.001 0.000 0.283 263 L C -0.386 176.255 176.870 -0.383 0.000 1.015 263 L CA -0.681 53.914 54.840 -0.407 0.000 0.831 263 L CB 0.425 42.294 42.059 -0.317 0.000 1.217 263 L HN 0.702 nan 8.230 nan 0.000 0.420 264 H N 3.279 122.189 119.070 -0.268 0.000 2.517 264 H HA 0.170 4.726 4.556 0.001 0.000 0.317 264 H C -1.046 174.276 175.328 -0.010 0.000 1.080 264 H CA -0.811 55.169 56.048 -0.113 0.000 1.301 264 H CB 1.805 31.540 29.762 -0.045 0.000 1.425 264 H HN 0.511 nan 8.280 nan 0.000 0.471 265 D N 3.999 124.453 120.400 0.090 0.000 2.352 265 D HA 0.036 4.677 4.640 0.001 0.000 0.245 265 D C 0.930 177.277 176.300 0.077 0.000 1.224 265 D CA -0.275 53.773 54.000 0.080 0.000 0.879 265 D CB 0.977 41.794 40.800 0.029 0.000 1.057 265 D HN 0.454 nan 8.370 nan 0.000 0.491 266 V N 1.143 121.134 119.914 0.128 0.000 3.427 266 V HA 0.203 4.323 4.120 0.001 0.000 0.305 266 V C 0.725 176.848 176.094 0.049 0.000 1.412 266 V CA -0.386 61.966 62.300 0.087 0.000 1.086 266 V CB -0.648 31.285 31.823 0.182 0.000 0.964 266 V HN 0.370 nan 8.190 nan 0.000 0.439 267 T N 2.379 116.963 114.554 0.049 0.000 2.939 267 T HA 0.317 4.668 4.350 0.001 0.000 0.312 267 T C 1.050 175.741 174.700 -0.015 0.000 1.064 267 T CA 0.879 62.989 62.100 0.018 0.000 1.136 267 T CB 0.321 69.200 68.868 0.018 0.000 1.035 267 T HN 1.929 nan 8.240 nan 0.000 0.538 268 A N 1.404 124.203 122.820 -0.036 0.000 2.560 268 A HA -0.075 4.245 4.320 0.001 0.000 0.299 268 A C -0.105 177.442 177.584 -0.061 0.000 1.484 268 A CA 0.167 52.169 52.037 -0.058 0.000 0.749 268 A CB -1.815 17.154 19.000 -0.051 0.000 1.072 268 A HN 0.682 nan 8.150 nan 0.000 0.426 269 L N -0.295 120.887 121.223 -0.068 0.000 2.436 269 L HA 0.740 5.080 4.340 0.001 0.000 0.268 269 L C 0.782 177.588 176.870 -0.107 0.000 0.974 269 L CA 0.556 55.353 54.840 -0.071 0.000 0.826 269 L CB 1.679 43.707 42.059 -0.050 0.000 1.291 269 L HN 0.795 nan 8.230 nan 0.000 0.406 270 G N 1.647 110.376 108.800 -0.119 0.000 2.554 270 G HA2 0.103 4.064 3.960 0.001 0.000 0.238 270 G HA3 0.103 4.064 3.960 0.001 0.000 0.238 270 G C 0.613 175.429 174.900 -0.140 0.000 1.259 270 G CA 0.230 45.222 45.100 -0.180 0.000 0.843 270 G HN 0.928 nan 8.290 nan 0.000 0.582 271 H N 0.404 119.445 119.070 -0.049 0.000 2.292 271 H HA -0.210 4.346 4.556 0.001 0.000 0.292 271 H C 2.450 177.727 175.328 -0.086 0.000 1.100 271 H CA 1.754 57.759 56.048 -0.072 0.000 1.238 271 H CB -0.050 29.666 29.762 -0.077 0.000 1.355 271 H HN 0.332 nan 8.280 nan 0.000 0.484 272 L N 0.807 122.064 121.223 0.056 0.000 1.990 272 L HA -0.198 4.143 4.340 0.001 0.000 0.213 272 L C 2.498 179.356 176.870 -0.020 0.000 1.072 272 L CA 2.014 56.853 54.840 -0.002 0.000 0.755 272 L CB -1.054 41.002 42.059 -0.005 0.000 0.889 272 L HN 0.316 nan 8.230 nan 0.000 0.432 273 A N -2.048 120.760 122.820 -0.021 0.000 1.972 273 A HA -0.200 4.121 4.320 0.001 0.000 0.219 273 A C 2.210 179.798 177.584 0.007 0.000 1.169 273 A CA 2.222 54.251 52.037 -0.014 0.000 0.635 273 A CB -1.111 17.872 19.000 -0.028 0.000 0.810 273 A HN 0.564 nan 8.150 nan 0.000 0.446 274 T N 0.294 114.843 114.554 -0.009 0.000 2.737 274 T HA 0.027 4.378 4.350 0.001 0.000 0.265 274 T C 2.274 176.934 174.700 -0.066 0.000 1.038 274 T CA 1.459 63.558 62.100 -0.002 0.000 1.144 274 T CB -0.505 68.350 68.868 -0.021 0.000 0.866 274 T HN 0.595 nan 8.240 nan 0.000 0.434 275 A N 2.035 124.788 122.820 -0.111 0.000 1.883 275 A HA -0.172 4.149 4.320 0.001 0.000 0.217 275 A C 2.283 179.790 177.584 -0.127 0.000 1.186 275 A CA 1.682 53.612 52.037 -0.178 0.000 0.624 275 A CB -0.505 18.398 19.000 -0.162 0.000 0.822 275 A HN 0.435 nan 8.150 nan 0.000 0.444 276 K N -1.735 118.633 120.400 -0.053 0.000 2.147 276 K HA -0.181 4.140 4.320 0.001 0.000 0.205 276 K C 2.073 178.694 176.600 0.035 0.000 1.049 276 K CA 1.566 57.844 56.287 -0.015 0.000 0.936 276 K CB -0.277 32.225 32.500 0.003 0.000 0.722 276 K HN 0.746 nan 8.250 nan 0.000 0.446 277 H N 1.130 120.180 119.070 -0.033 0.000 2.357 277 H HA 0.020 4.577 4.556 0.001 0.000 0.301 277 H C 1.786 177.160 175.328 0.075 0.000 1.082 277 H CA 1.426 57.497 56.048 0.039 0.000 1.342 277 H CB -0.090 29.718 29.762 0.077 0.000 1.389 277 H HN 0.050 nan 8.280 nan 0.000 0.511 278 I N 0.006 120.437 120.570 -0.233 0.000 2.208 278 I HA -0.287 3.883 4.170 0.001 0.000 0.245 278 I C 2.619 178.576 176.117 -0.266 0.000 1.097 278 I CA 1.648 62.651 61.300 -0.495 0.000 1.363 278 I CB -0.258 37.322 38.000 -0.701 0.000 1.051 278 I HN 0.215 nan 8.210 nan 0.000 0.413 279 R N 0.403 120.789 120.500 -0.189 0.000 2.075 279 R HA -0.220 4.121 4.340 0.001 0.000 0.232 279 R C 2.471 178.704 176.300 -0.111 0.000 1.126 279 R CA 1.623 57.642 56.100 -0.135 0.000 0.963 279 R CB -0.935 29.303 30.300 -0.104 0.000 0.858 279 R HN 0.400 nan 8.270 nan 0.000 0.435 280 H N -0.712 118.237 119.070 -0.202 0.000 2.492 280 H HA -0.149 4.407 4.556 0.001 0.000 0.296 280 H C 0.576 175.692 175.328 -0.354 0.000 1.095 280 H CA 1.660 57.550 56.048 -0.263 0.000 1.281 280 H CB 0.170 29.758 29.762 -0.290 0.000 1.374 280 H HN 0.417 nan 8.280 nan 0.000 0.545 281 H N -1.083 117.911 119.070 -0.128 0.000 2.586 281 H HA 0.116 4.673 4.556 0.001 0.000 0.273 281 H C 1.166 176.388 175.328 -0.177 0.000 0.997 281 H CA 0.652 56.613 56.048 -0.144 0.000 1.177 281 H CB 0.514 30.167 29.762 -0.182 0.000 1.471 281 H HN 0.548 nan 8.280 nan 0.000 0.538 282 G N 1.936 110.682 108.800 -0.088 0.000 2.273 282 G HA2 -0.259 3.701 3.960 0.001 0.000 0.280 282 G HA3 -0.259 3.701 3.960 0.001 0.000 0.280 282 G C 0.254 175.100 174.900 -0.089 0.000 1.047 282 G CA -0.069 44.978 45.100 -0.089 0.000 0.869 282 G HN 0.208 nan 8.290 nan 0.000 0.502 283 I N 0.838 121.343 120.570 -0.109 0.000 2.752 283 I HA 0.030 4.200 4.170 0.001 0.000 0.289 283 I C 1.188 177.246 176.117 -0.097 0.000 1.197 283 I CA 0.220 61.458 61.300 -0.105 0.000 1.432 283 I CB 0.396 38.333 38.000 -0.104 0.000 1.359 283 I HN 0.210 nan 8.210 nan 0.000 0.571 284 D N 5.875 126.219 120.400 -0.094 0.000 2.202 284 D HA 0.103 4.744 4.640 0.001 0.000 0.214 284 D C 0.450 176.677 176.300 -0.122 0.000 0.967 284 D CA 1.094 55.028 54.000 -0.111 0.000 0.871 284 D CB 0.458 41.162 40.800 -0.160 0.000 1.020 284 D HN 0.344 nan 8.370 nan 0.000 0.474 285 L N 1.592 122.752 121.223 -0.105 0.000 2.343 285 L HA 0.418 4.759 4.340 0.001 0.000 0.278 285 L C -0.994 175.851 176.870 -0.042 0.000 0.996 285 L CA -0.809 53.965 54.840 -0.111 0.000 0.831 285 L CB 2.375 44.370 42.059 -0.107 0.000 1.232 285 L HN -0.121 nan 8.230 nan 0.000 0.413 286 L N 3.688 124.869 121.223 -0.070 0.000 2.298 286 L HA 0.559 4.900 4.340 0.001 0.000 0.284 286 L C -1.025 175.911 176.870 0.111 0.000 1.013 286 L CA 0.130 54.987 54.840 0.029 0.000 0.824 286 L CB 0.930 42.964 42.059 -0.041 0.000 1.221 286 L HN 0.234 nan 8.230 nan 0.000 0.418 287 F N 2.971 122.939 119.950 0.030 0.000 2.404 287 F HA 0.293 4.820 4.527 0.001 0.000 0.345 287 F C 0.348 176.389 175.800 0.402 0.000 1.110 287 F CA -0.405 57.711 58.000 0.193 0.000 1.130 287 F CB 1.198 40.279 39.000 0.136 0.000 1.129 287 F HN 0.500 nan 8.300 nan 0.000 0.500 288 D N 4.964 125.590 120.400 0.377 0.000 2.359 288 D HA 0.249 4.889 4.640 0.001 0.000 0.230 288 D C -0.507 175.940 176.300 0.246 0.000 1.118 288 D CA -0.149 53.922 54.000 0.118 0.000 0.844 288 D CB 0.565 40.871 40.800 -0.823 0.000 1.059 288 D HN 0.473 nan 8.370 nan 0.000 0.493 289 L N 4.358 125.767 121.223 0.311 0.000 3.047 289 L HA 0.407 4.747 4.340 0.001 0.000 0.242 289 L C 1.505 178.426 176.870 0.086 0.000 1.315 289 L CA -0.379 54.600 54.840 0.232 0.000 1.042 289 L CB 0.166 42.394 42.059 0.283 0.000 1.420 289 L HN 0.302 nan 8.230 nan 0.000 0.517 290 R N -0.043 120.491 120.500 0.055 0.000 2.064 290 R HA 0.225 4.566 4.340 0.001 0.000 0.210 290 R C 1.791 178.103 176.300 0.019 0.000 1.221 290 R CA 0.927 57.032 56.100 0.008 0.000 1.055 290 R CB 0.041 30.334 30.300 -0.012 0.000 0.946 290 R HN 0.435 nan 8.270 nan 0.000 0.459 291 G N -0.876 107.966 108.800 0.070 0.000 2.495 291 G HA2 -0.090 3.871 3.960 0.001 0.000 0.219 291 G HA3 -0.090 3.871 3.960 0.001 0.000 0.219 291 G C 0.285 175.063 174.900 -0.203 0.000 1.875 291 G CA -0.431 44.647 45.100 -0.036 0.000 0.757 291 G HN 0.280 nan 8.290 nan 0.000 0.682 292 W N 2.632 123.789 121.300 -0.238 0.000 3.377 292 W HA 0.415 5.075 4.660 0.001 0.000 0.277 292 W C 1.603 178.106 176.519 -0.027 0.000 1.311 292 W CA -0.373 56.840 57.345 -0.220 0.000 1.703 292 W CB 0.171 29.335 29.460 -0.493 0.000 1.095 292 W HN 0.356 nan 8.180 nan 0.000 0.715 293 G N 0.469 109.350 108.800 0.134 0.000 2.611 293 G HA2 0.353 4.314 3.960 0.001 0.000 0.273 293 G HA3 0.353 4.314 3.960 0.001 0.000 0.273 293 G C 0.378 175.265 174.900 -0.021 0.000 1.305 293 G CA -0.423 44.611 45.100 -0.110 0.000 1.010 293 G HN 0.093 nan 8.290 nan 0.000 0.509 294 G N -2.248 106.503 108.800 -0.082 0.000 2.491 294 G HA2 0.508 4.469 3.960 0.001 0.000 0.238 294 G HA3 0.508 4.469 3.960 0.001 0.000 0.238 294 G C 1.222 176.108 174.900 -0.024 0.000 1.277 294 G CA 0.691 45.787 45.100 -0.007 0.000 0.851 294 G HN 1.969 nan 8.290 nan 0.000 0.573 295 G N 0.097 108.903 108.800 0.010 0.000 2.155 295 G HA2 -0.088 3.873 3.960 0.001 0.000 0.257 295 G HA3 -0.088 3.873 3.960 0.001 0.000 0.257 295 G C 1.367 176.279 174.900 0.020 0.000 0.983 295 G CA 1.039 46.139 45.100 -0.000 0.000 0.676 295 G HN 1.540 nan 8.290 nan 0.000 0.528 296 G N 0.327 109.151 108.800 0.040 0.000 2.666 296 G HA2 0.071 4.032 3.960 0.001 0.000 0.215 296 G HA3 0.071 4.032 3.960 0.001 0.000 0.215 296 G C 0.914 175.853 174.900 0.065 0.000 1.294 296 G CA 0.958 46.080 45.100 0.036 0.000 0.811 296 G HN 1.473 nan 8.290 nan 0.000 0.594 297 R N -0.764 119.788 120.500 0.088 0.000 3.157 297 R HA -0.126 4.215 4.340 0.001 0.000 0.259 297 R C -1.899 174.390 176.300 -0.019 0.000 1.018 297 R CA 0.443 56.602 56.100 0.099 0.000 0.678 297 R CB -1.739 28.691 30.300 0.216 0.000 1.225 297 R HN 0.421 nan 8.270 nan 0.000 0.408 298 P HA -0.195 nan 4.420 nan 0.000 0.219 298 P C 1.155 178.221 177.300 -0.390 0.000 1.150 298 P CA 1.272 64.234 63.100 -0.231 0.000 0.814 298 P CB 0.028 31.525 31.700 -0.339 0.000 0.787 299 E N 0.369 120.299 120.200 -0.449 0.000 2.331 299 E HA -0.100 4.251 4.350 0.001 0.000 0.199 299 E C 1.882 178.212 176.600 -0.449 0.000 1.008 299 E CA 0.856 56.928 56.400 -0.546 0.000 0.843 299 E CB -1.567 27.779 29.700 -0.589 0.000 0.761 299 E HN 0.128 nan 8.360 nan 0.000 0.507 300 V N 0.249 119.979 119.914 -0.307 0.000 2.427 300 V HA -0.185 3.936 4.120 0.001 0.000 0.248 300 V C 1.888 177.749 176.094 -0.388 0.000 1.051 300 V CA 1.553 63.709 62.300 -0.239 0.000 1.048 300 V CB -0.628 31.115 31.823 -0.132 0.000 0.666 300 V HN 0.118 nan 8.190 nan 0.000 0.456 301 F N 0.103 119.765 119.950 -0.480 0.000 2.512 301 F HA 0.177 4.705 4.527 0.001 0.000 0.296 301 F C 2.283 177.583 175.800 -0.834 0.000 1.110 301 F CA 0.836 58.532 58.000 -0.507 0.000 1.446 301 F CB -0.372 38.413 39.000 -0.359 0.000 1.092 301 F HN 0.073 nan 8.300 nan 0.000 0.554 302 A N -0.179 122.002 122.820 -1.066 0.000 2.121 302 A HA -0.042 4.278 4.320 0.001 0.000 0.218 302 A C 1.766 179.113 177.584 -0.396 0.000 1.154 302 A CA 0.945 52.337 52.037 -1.074 0.000 0.679 302 A CB -0.931 17.373 19.000 -1.159 0.000 0.795 302 A HN 0.388 nan 8.150 nan 0.000 0.458 303 L N -0.339 120.687 121.223 -0.329 0.000 2.645 303 L HA 0.103 4.444 4.340 0.001 0.000 0.234 303 L C 0.318 177.098 176.870 -0.150 0.000 1.165 303 L CA -0.356 54.368 54.840 -0.193 0.000 0.944 303 L CB -0.313 41.638 42.059 -0.180 0.000 1.149 303 L HN 0.276 nan 8.230 nan 0.000 0.446 304 R N -0.528 119.894 120.500 -0.130 0.000 3.013 304 R HA -0.185 4.156 4.340 0.001 0.000 0.232 304 R C -1.550 174.680 176.300 -0.115 0.000 0.854 304 R CA 0.246 56.305 56.100 -0.068 0.000 0.580 304 R CB -1.336 28.971 30.300 0.013 0.000 1.030 304 R HN 0.349 nan 8.270 nan 0.000 0.489 305 P HA -0.126 nan 4.420 nan 0.000 0.221 305 P C 0.348 177.537 177.300 -0.185 0.000 1.145 305 P CA 1.666 64.640 63.100 -0.210 0.000 0.795 305 P CB 0.347 31.858 31.700 -0.316 0.000 0.775 306 A N 0.148 122.868 122.820 -0.168 0.000 2.350 306 A HA 0.583 4.903 4.320 0.001 0.000 0.318 306 A C -1.867 175.674 177.584 -0.073 0.000 1.132 306 A CA -1.673 50.288 52.037 -0.126 0.000 0.811 306 A CB 0.810 19.727 19.000 -0.138 0.000 1.313 306 A HN -0.146 nan 8.150 nan 0.000 0.454 307 P HA 0.074 nan 4.420 nan 0.000 0.227 307 P C -0.087 177.185 177.300 -0.047 0.000 1.161 307 P CA 0.789 63.870 63.100 -0.031 0.000 0.788 307 P CB 0.251 31.942 31.700 -0.015 0.000 0.822 308 V N 1.127 120.984 119.914 -0.095 0.000 2.482 308 V HA 0.267 4.388 4.120 0.001 0.000 0.295 308 V C -0.376 175.668 176.094 -0.084 0.000 1.026 308 V CA -0.497 61.721 62.300 -0.137 0.000 0.856 308 V CB 1.941 33.581 31.823 -0.305 0.000 1.001 308 V HN -0.036 nan 8.190 nan 0.000 0.424 309 Q N 3.300 123.096 119.800 -0.008 0.000 2.337 309 Q HA 0.818 5.158 4.340 0.001 0.000 0.266 309 Q C -1.278 174.700 176.000 -0.037 0.000 1.023 309 Q CA -0.698 55.130 55.803 0.042 0.000 0.829 309 Q CB 3.095 31.974 28.738 0.236 0.000 1.306 309 Q HN 0.569 nan 8.270 nan 0.000 0.449 310 V N 1.638 121.438 119.914 -0.190 0.000 2.914 310 V HA 0.467 4.587 4.120 0.001 0.000 0.314 310 V C -0.775 175.258 176.094 -0.101 0.000 1.084 310 V CA -0.993 61.137 62.300 -0.283 0.000 0.963 310 V CB 2.208 33.503 31.823 -0.881 0.000 1.025 310 V HN 0.726 nan 8.190 nan 0.000 0.432 311 N N 1.792 120.528 118.700 0.060 0.000 2.372 311 N HA 0.528 5.268 4.740 0.001 0.000 0.285 311 N C -1.781 173.976 175.510 0.412 0.000 1.008 311 N CA -0.441 52.709 53.050 0.166 0.000 0.880 311 N CB 1.803 40.339 38.487 0.081 0.000 1.239 311 N HN 0.746 nan 8.380 nan 0.000 0.484 312 W N 5.561 127.032 121.300 0.284 0.000 3.573 312 W HA 0.391 5.052 4.660 0.002 0.000 0.306 312 W C 0.048 176.796 176.519 0.381 0.000 1.227 312 W CA -0.857 56.720 57.345 0.387 0.000 1.212 312 W CB 0.151 30.002 29.460 0.652 0.000 1.331 312 W HN 0.540 nan 8.180 nan 0.000 0.524 313 L N 3.478 124.711 121.223 0.017 0.000 5.259 313 L HA -0.381 3.959 4.340 0.001 0.000 0.412 313 L C 1.052 177.965 176.870 0.072 0.000 0.876 313 L CA 3.628 58.377 54.840 -0.153 0.000 1.762 313 L CB -1.730 39.602 42.059 -1.212 0.000 1.441 313 L HN 0.826 nan 8.230 nan 0.000 0.615 314 A N -1.755 121.135 122.820 0.117 0.000 1.938 314 A HA 0.253 4.574 4.320 0.001 0.000 0.207 314 A C 0.642 178.404 177.584 0.296 0.000 1.292 314 A CA 0.799 52.936 52.037 0.168 0.000 0.700 314 A CB -0.265 18.814 19.000 0.131 0.000 0.947 314 A HN 0.509 nan 8.150 nan 0.000 0.476 315 Y N 2.596 122.996 120.300 0.168 0.000 2.367 315 Y HA 0.466 5.016 4.550 0.001 0.000 0.342 315 Y C -2.375 173.614 175.900 0.148 0.000 0.979 315 Y CA -2.898 55.338 58.100 0.226 0.000 1.161 315 Y CB 1.304 39.887 38.460 0.204 0.000 1.155 315 Y HN 0.115 nan 8.280 nan 0.000 0.503 316 P HA 0.316 nan 4.420 nan 0.000 0.225 316 P C -0.236 176.855 177.300 -0.348 0.000 1.813 316 P CA 0.430 63.454 63.100 -0.126 0.000 1.013 316 P CB 0.069 31.907 31.700 0.230 0.000 1.961 317 G N -0.786 107.780 108.800 -0.389 0.000 2.340 317 G HA2 0.256 4.216 3.960 0.001 0.000 0.299 317 G HA3 0.256 4.216 3.960 0.001 0.000 0.299 317 G C -1.387 173.564 174.900 0.085 0.000 1.291 317 G CA -0.437 44.553 45.100 -0.184 0.000 0.841 317 G HN 0.137 nan 8.290 nan 0.000 0.500 318 T N -0.720 113.691 114.554 -0.240 0.000 2.899 318 T HA 0.422 4.773 4.350 0.001 0.000 0.295 318 T C 1.972 176.770 174.700 0.164 0.000 1.033 318 T CA 0.900 62.906 62.100 -0.158 0.000 1.084 318 T CB 0.814 69.402 68.868 -0.465 0.000 0.979 318 T HN 1.442 nan 8.240 nan 0.000 0.532 319 S N 2.270 118.015 115.700 0.075 0.000 2.436 319 S HA 0.185 4.656 4.470 0.001 0.000 0.228 319 S C 2.031 176.690 174.600 0.098 0.000 1.014 319 S CA 0.909 59.114 58.200 0.007 0.000 0.950 319 S CB -0.702 62.358 63.200 -0.233 0.000 0.784 319 S HN 1.622 nan 8.310 nan 0.000 0.504 320 G N 1.417 110.202 108.800 -0.024 0.000 2.302 320 G HA2 -0.249 3.712 3.960 0.001 0.000 0.263 320 G HA3 -0.249 3.712 3.960 0.001 0.000 0.263 320 G C 0.335 175.091 174.900 -0.240 0.000 0.995 320 G CA 0.288 45.337 45.100 -0.084 0.000 0.622 320 G HN 1.433 nan 8.290 nan 0.000 0.538 321 A N 1.042 123.587 122.820 -0.459 0.000 2.401 321 A HA 0.687 5.008 4.320 0.001 0.000 0.259 321 A C -0.166 176.989 177.584 -0.715 0.000 1.103 321 A CA -0.426 51.022 52.037 -0.981 0.000 0.789 321 A CB 0.890 18.667 19.000 -2.038 0.000 1.035 321 A HN 0.169 nan 8.150 nan 0.000 0.491 322 P HA -0.053 nan 4.420 nan 0.000 0.231 322 P C 0.726 177.956 177.300 -0.116 0.000 1.168 322 P CA 0.839 63.795 63.100 -0.240 0.000 0.779 322 P CB -0.071 31.571 31.700 -0.097 0.000 0.844 323 W N -1.411 119.879 121.300 -0.017 0.000 3.180 323 W HA 0.469 5.129 4.660 0.001 0.000 0.254 323 W C 0.230 176.739 176.519 -0.017 0.000 1.318 323 W CA -0.560 56.779 57.345 -0.011 0.000 1.608 323 W CB -1.087 28.378 29.460 0.008 0.000 1.124 323 W HN -0.253 nan 8.180 nan 0.000 0.694 324 M N 2.767 122.231 119.600 -0.227 0.000 2.066 324 M HA 0.216 4.697 4.480 0.001 0.000 0.340 324 M C 0.674 176.888 176.300 -0.143 0.000 1.053 324 M CA -0.126 55.090 55.300 -0.139 0.000 0.983 324 M CB 0.865 33.308 32.600 -0.261 0.000 1.520 324 M HN -0.027 nan 8.290 nan 0.000 0.428 325 D N 3.461 123.792 120.400 -0.116 0.000 2.120 325 D HA -0.043 4.597 4.640 0.001 0.000 0.202 325 D C -0.338 175.666 176.300 -0.493 0.000 0.972 325 D CA 1.619 55.436 54.000 -0.305 0.000 0.837 325 D CB 0.186 40.845 40.800 -0.235 0.000 0.989 325 D HN 0.458 nan 8.370 nan 0.000 0.469 326 Y N -1.016 119.262 120.300 -0.036 0.000 2.634 326 Y HA 0.486 5.037 4.550 0.001 0.000 0.340 326 Y C -0.347 175.543 175.900 -0.016 0.000 1.058 326 Y CA -1.066 57.032 58.100 -0.004 0.000 1.081 326 Y CB 2.281 40.722 38.460 -0.032 0.000 1.295 326 Y HN -0.358 nan 8.280 nan 0.000 0.487 327 V N 2.643 122.672 119.914 0.191 0.000 2.789 327 V HA 0.606 4.727 4.120 0.001 0.000 0.311 327 V C -1.841 174.314 176.094 0.102 0.000 1.073 327 V CA -0.836 61.533 62.300 0.116 0.000 0.921 327 V CB 2.027 33.878 31.823 0.046 0.000 1.009 327 V HN 0.609 nan 8.190 nan 0.000 0.426 328 L N 6.593 127.920 121.223 0.173 0.000 2.280 328 L HA 0.964 5.304 4.340 0.001 0.000 0.287 328 L C 0.248 177.271 176.870 0.254 0.000 1.023 328 L CA 1.061 56.002 54.840 0.168 0.000 0.819 328 L CB 0.998 43.115 42.059 0.097 0.000 1.212 328 L HN 0.807 nan 8.230 nan 0.000 0.420 329 G N 3.121 112.028 108.800 0.178 0.000 3.259 329 G HA2 0.634 4.594 3.960 0.001 0.000 0.178 329 G HA3 0.634 4.594 3.960 0.001 0.000 0.178 329 G C -1.585 173.509 174.900 0.323 0.000 1.129 329 G CA 0.071 45.340 45.100 0.283 0.000 0.816 329 G HN 0.682 nan 8.290 nan 0.000 0.634 330 D N -2.820 117.776 120.400 0.326 0.000 2.583 330 D HA 0.530 5.171 4.640 0.001 0.000 0.248 330 D C 0.848 177.306 176.300 0.264 0.000 1.209 330 D CA 0.110 54.282 54.000 0.287 0.000 0.848 330 D CB 1.244 42.239 40.800 0.325 0.000 1.431 330 D HN 0.661 nan 8.370 nan 0.000 0.436 331 A N 0.068 123.039 122.820 0.252 0.000 2.093 331 A HA -0.105 4.216 4.320 0.001 0.000 0.222 331 A C 1.503 179.171 177.584 0.141 0.000 1.162 331 A CA 1.352 53.493 52.037 0.174 0.000 0.655 331 A CB -0.950 18.155 19.000 0.176 0.000 0.805 331 A HN 0.550 nan 8.150 nan 0.000 0.461 332 F N -0.557 119.464 119.950 0.117 0.000 2.298 332 F HA 0.314 4.842 4.527 0.001 0.000 0.282 332 F C 2.471 178.272 175.800 0.002 0.000 1.045 332 F CA 0.946 58.931 58.000 -0.024 0.000 1.280 332 F CB -0.253 38.682 39.000 -0.108 0.000 1.114 332 F HN 0.174 nan 8.300 nan 0.000 0.546 333 A N -0.090 122.930 122.820 0.334 0.000 2.015 333 A HA 0.030 4.350 4.320 0.001 0.000 0.219 333 A C 0.985 178.590 177.584 0.035 0.000 1.163 333 A CA 0.924 52.979 52.037 0.030 0.000 0.646 333 A CB -0.599 18.229 19.000 -0.286 0.000 0.806 333 A HN 0.364 nan 8.150 nan 0.000 0.448 334 L N 1.233 122.544 121.223 0.146 0.000 2.495 334 L HA 0.304 4.645 4.340 0.001 0.000 0.248 334 L C -2.645 174.243 176.870 0.029 0.000 1.229 334 L CA -2.407 52.509 54.840 0.126 0.000 0.942 334 L CB 2.049 44.151 42.059 0.073 0.000 1.242 334 L HN 0.060 nan 8.230 nan 0.000 0.484 335 P HA 0.238 nan 4.420 nan 0.000 0.274 335 P C -2.352 174.936 177.300 -0.020 0.000 1.246 335 P CA -1.410 61.655 63.100 -0.058 0.000 0.795 335 P CB 0.375 31.991 31.700 -0.141 0.000 1.006 336 P HA -0.193 nan 4.420 nan 0.000 0.216 336 P C 1.400 178.700 177.300 -0.000 0.000 1.150 336 P CA 2.193 65.282 63.100 -0.018 0.000 0.843 336 P CB -0.611 31.077 31.700 -0.019 0.000 0.787 337 A N -1.942 120.881 122.820 0.005 0.000 2.194 337 A HA -0.150 4.171 4.320 0.001 0.000 0.220 337 A C 1.961 179.619 177.584 0.124 0.000 1.162 337 A CA 1.398 53.459 52.037 0.040 0.000 0.674 337 A CB -1.257 17.754 19.000 0.019 0.000 0.789 337 A HN 0.210 nan 8.150 nan 0.000 0.470 338 L N -2.081 119.226 121.223 0.139 0.000 2.749 338 L HA 0.189 4.529 4.340 0.001 0.000 0.242 338 L C 1.893 178.941 176.870 0.296 0.000 1.103 338 L CA 0.355 55.376 54.840 0.300 0.000 0.906 338 L CB -0.006 42.207 42.059 0.256 0.000 1.228 338 L HN 0.315 nan 8.230 nan 0.000 0.517 339 E N 0.604 120.867 120.200 0.106 0.000 2.108 339 E HA -0.258 4.092 4.350 0.001 0.000 0.203 339 E C -0.766 175.863 176.600 0.048 0.000 1.022 339 E CA 1.881 58.304 56.400 0.038 0.000 0.823 339 E CB -0.973 28.700 29.700 -0.046 0.000 0.744 339 E HN 0.426 nan 8.360 nan 0.000 0.456 340 P HA -0.125 nan 4.420 nan 0.000 0.225 340 P C 0.592 177.718 177.300 -0.290 0.000 1.148 340 P CA 1.043 63.980 63.100 -0.271 0.000 0.779 340 P CB -0.075 31.315 31.700 -0.517 0.000 0.780 341 F N -3.575 116.443 119.950 0.113 0.000 2.765 341 F HA 0.164 4.692 4.527 0.001 0.000 0.302 341 F C 0.764 176.541 175.800 -0.038 0.000 1.111 341 F CA -0.194 57.829 58.000 0.039 0.000 1.359 341 F CB -0.559 38.454 39.000 0.022 0.000 1.097 341 F HN -0.133 nan 8.300 nan 0.000 0.577 342 Y N -0.016 120.340 120.300 0.094 0.000 2.330 342 Y HA 0.175 4.726 4.550 0.001 0.000 0.336 342 Y C 1.743 177.634 175.900 -0.015 0.000 1.036 342 Y CA -0.569 57.553 58.100 0.037 0.000 1.125 342 Y CB 1.338 39.806 38.460 0.013 0.000 1.194 342 Y HN -0.055 nan 8.280 nan 0.000 0.469 343 S N 0.426 116.164 115.700 0.063 0.000 2.402 343 S HA -0.088 4.382 4.470 0.001 0.000 0.229 343 S C 0.280 174.875 174.600 -0.008 0.000 1.021 343 S CA 0.397 58.594 58.200 -0.005 0.000 0.974 343 S CB -0.292 62.865 63.200 -0.072 0.000 0.800 343 S HN 0.657 nan 8.310 nan 0.000 0.484 344 E N 1.626 121.846 120.200 0.033 0.000 2.408 344 E HA 0.167 4.518 4.350 0.001 0.000 0.259 344 E C 0.193 176.809 176.600 0.027 0.000 1.110 344 E CA -0.146 56.255 56.400 0.001 0.000 0.929 344 E CB 0.176 29.907 29.700 0.052 0.000 0.971 344 E HN 0.372 nan 8.360 nan 0.000 0.438 345 H N 1.474 120.465 119.070 -0.132 0.000 2.764 345 H HA 0.109 4.666 4.556 0.001 0.000 0.341 345 H C -0.735 174.647 175.328 0.090 0.000 1.072 345 H CA -0.233 55.796 56.048 -0.033 0.000 1.444 345 H CB 0.553 30.267 29.762 -0.080 0.000 1.458 345 H HN 0.134 nan 8.280 nan 0.000 0.572 346 V N 7.401 127.169 119.914 -0.245 0.000 2.465 346 V HA 0.198 4.319 4.120 0.001 0.000 0.279 346 V C 0.413 176.481 176.094 -0.044 0.000 1.045 346 V CA -0.382 61.837 62.300 -0.137 0.000 0.938 346 V CB 1.274 32.968 31.823 -0.214 0.000 0.986 346 V HN 0.547 nan 8.190 nan 0.000 0.467 347 L N 5.690 126.939 121.223 0.044 0.000 2.323 347 L HA 0.741 5.082 4.340 0.001 0.000 0.265 347 L C -0.208 176.678 176.870 0.025 0.000 1.012 347 L CA -0.802 54.064 54.840 0.044 0.000 0.820 347 L CB 2.224 44.300 42.059 0.028 0.000 1.334 347 L HN 0.523 nan 8.230 nan 0.000 0.427 348 R N 1.727 122.240 120.500 0.022 0.000 2.604 348 R HA 0.594 4.934 4.340 0.001 0.000 0.281 348 R C -1.454 174.856 176.300 0.016 0.000 1.020 348 R CA -0.861 55.266 56.100 0.046 0.000 0.899 348 R CB 2.302 32.635 30.300 0.056 0.000 1.205 348 R HN 0.397 nan 8.270 nan 0.000 0.450 349 L N 1.841 123.074 121.223 0.018 0.000 2.439 349 L HA 0.186 4.527 4.340 0.001 0.000 0.261 349 L C 1.713 178.542 176.870 -0.068 0.000 1.153 349 L CA -0.140 54.655 54.840 -0.076 0.000 0.808 349 L CB 0.819 42.774 42.059 -0.174 0.000 1.126 349 L HN 0.620 nan 8.230 nan 0.000 0.460 350 Q N 0.381 120.116 119.800 -0.107 0.000 2.291 350 Q HA -0.011 4.330 4.340 0.001 0.000 0.206 350 Q C 0.622 176.598 176.000 -0.040 0.000 0.976 350 Q CA 1.399 57.171 55.803 -0.052 0.000 0.875 350 Q CB 0.216 28.919 28.738 -0.058 0.000 0.927 350 Q HN 0.852 nan 8.270 nan 0.000 0.450 351 G N -1.554 107.149 108.800 -0.163 0.000 3.243 351 G HA2 0.635 4.596 3.960 0.001 0.000 0.248 351 G HA3 0.635 4.596 3.960 0.001 0.000 0.248 351 G C -1.245 173.279 174.900 -0.627 0.000 1.267 351 G CA -0.435 44.478 45.100 -0.311 0.000 0.906 351 G HN 0.247 nan 8.290 nan 0.000 0.592 352 A N -0.674 121.619 122.820 -0.879 0.000 2.586 352 A HA 0.346 4.666 4.320 0.001 0.000 0.231 352 A C 0.961 178.543 177.584 -0.004 0.000 1.055 352 A CA 0.682 52.441 52.037 -0.464 0.000 0.756 352 A CB -0.362 18.486 19.000 -0.253 0.000 0.988 352 A HN 1.414 nan 8.150 nan 0.000 0.509 353 F N -0.039 120.011 119.950 0.167 0.000 2.502 353 F HA 0.095 4.623 4.527 0.001 0.000 0.298 353 F C 0.917 177.106 175.800 0.647 0.000 1.111 353 F CA 0.835 59.094 58.000 0.432 0.000 1.445 353 F CB -0.012 39.303 39.000 0.525 0.000 1.081 353 F HN 0.603 nan 8.300 nan 0.000 0.558 354 Q N 3.686 123.205 119.800 -0.469 0.000 2.325 354 Q HA 0.360 4.701 4.340 0.001 0.000 0.262 354 Q C -2.615 173.181 176.000 -0.341 0.000 0.968 354 Q CA -2.745 52.706 55.803 -0.587 0.000 0.877 354 Q CB 1.855 29.974 28.738 -1.031 0.000 1.253 354 Q HN 0.035 nan 8.270 nan 0.000 0.448 355 P HA 0.232 nan 4.420 nan 0.000 0.279 355 P C -1.100 175.886 177.300 -0.523 0.000 1.276 355 P CA -0.280 62.273 63.100 -0.911 0.000 0.801 355 P CB 1.499 32.498 31.700 -1.168 0.000 1.127 356 S N -1.620 113.810 115.700 -0.450 0.000 2.625 356 S HA 0.285 4.755 4.470 0.001 0.000 0.271 356 S C -1.205 173.182 174.600 -0.355 0.000 1.161 356 S CA -0.727 57.285 58.200 -0.314 0.000 0.820 356 S CB 1.012 64.119 63.200 -0.154 0.000 1.137 356 S HN 0.337 nan 8.310 nan 0.000 0.470 357 D N 1.605 121.791 120.400 -0.358 0.000 2.470 357 D HA 0.243 4.883 4.640 0.001 0.000 0.226 357 D C 1.445 177.384 176.300 -0.602 0.000 1.196 357 D CA 0.099 53.877 54.000 -0.372 0.000 0.979 357 D CB 0.450 41.094 40.800 -0.259 0.000 1.059 357 D HN 0.666 nan 8.370 nan 0.000 0.515 358 T N -0.910 113.269 114.554 -0.625 0.000 3.194 358 T HA -0.083 4.268 4.350 0.001 0.000 0.251 358 T C 1.609 176.095 174.700 -0.358 0.000 1.132 358 T CA 0.480 62.021 62.100 -0.931 0.000 1.028 358 T CB -0.174 68.319 68.868 -0.626 0.000 0.976 358 T HN 0.198 nan 8.240 nan 0.000 0.535 359 S N 0.456 116.029 115.700 -0.212 0.000 2.562 359 S HA 0.152 4.622 4.470 0.001 0.000 0.221 359 S C 0.910 175.540 174.600 0.050 0.000 0.975 359 S CA -0.708 57.467 58.200 -0.042 0.000 0.918 359 S CB -0.451 62.717 63.200 -0.054 0.000 0.772 359 S HN 0.481 nan 8.310 nan 0.000 0.531 360 R N 1.692 122.223 120.500 0.052 0.000 2.399 360 R HA 0.261 4.601 4.340 0.001 0.000 0.324 360 R C -0.969 175.526 176.300 0.324 0.000 1.030 360 R CA -0.149 56.065 56.100 0.189 0.000 0.984 360 R CB 0.540 30.953 30.300 0.188 0.000 0.961 360 R HN 0.163 nan 8.270 nan 0.000 0.433 361 V N 5.642 125.661 119.914 0.175 0.000 2.387 361 V HA 0.028 4.149 4.120 0.001 0.000 0.260 361 V C 0.406 176.553 176.094 0.088 0.000 1.054 361 V CA -0.437 61.932 62.300 0.114 0.000 0.967 361 V CB 1.059 32.920 31.823 0.063 0.000 1.036 361 V HN 0.466 nan 8.190 nan 0.000 0.481 362 V N 5.881 125.828 119.914 0.054 0.000 2.425 362 V HA 0.282 4.403 4.120 0.001 0.000 0.276 362 V C 1.119 177.204 176.094 -0.014 0.000 1.017 362 V CA -0.036 62.271 62.300 0.012 0.000 1.062 362 V CB 0.037 31.827 31.823 -0.055 0.000 0.997 362 V HN 0.967 nan 8.190 nan 0.000 0.476 363 A N 5.366 128.184 122.820 -0.003 0.000 2.455 363 A HA 0.229 4.550 4.320 0.001 0.000 0.244 363 A C 0.593 178.161 177.584 -0.027 0.000 1.099 363 A CA -0.143 51.889 52.037 -0.009 0.000 0.786 363 A CB 0.130 19.131 19.000 0.001 0.000 1.051 363 A HN 0.752 nan 8.150 nan 0.000 0.508 364 E N 0.887 121.075 120.200 -0.021 0.000 2.283 364 E HA 0.391 4.741 4.350 0.001 0.000 0.278 364 E C -2.124 174.469 176.600 -0.012 0.000 1.027 364 E CA -1.579 54.803 56.400 -0.030 0.000 0.843 364 E CB 0.745 30.433 29.700 -0.019 0.000 1.062 364 E HN 0.448 nan 8.360 nan 0.000 0.401 365 P HA 0.350 nan 4.420 nan 0.000 0.279 365 P C -2.564 174.811 177.300 0.126 0.000 1.252 365 P CA -1.597 61.535 63.100 0.053 0.000 0.811 365 P CB -0.262 31.463 31.700 0.041 0.000 1.035 366 P HA 0.040 nan 4.420 nan 0.000 0.269 366 P C 0.320 177.735 177.300 0.192 0.000 1.215 366 P CA -0.008 63.167 63.100 0.124 0.000 0.780 366 P CB 0.096 31.847 31.700 0.085 0.000 0.898 367 S N 2.215 117.980 115.700 0.109 0.000 2.580 367 S HA 0.065 4.535 4.470 0.001 0.000 0.266 367 S C 1.375 175.865 174.600 -0.183 0.000 1.354 367 S CA -0.205 58.022 58.200 0.045 0.000 1.008 367 S CB 0.361 63.566 63.200 0.007 0.000 0.898 367 S HN 0.337 nan 8.310 nan 0.000 0.555 368 R N 0.653 120.871 120.500 -0.470 0.000 2.159 368 R HA -0.153 4.188 4.340 0.001 0.000 0.252 368 R C 2.484 178.594 176.300 -0.317 0.000 1.144 368 R CA 2.535 58.298 56.100 -0.561 0.000 0.961 368 R CB -1.454 28.575 30.300 -0.452 0.000 0.877 368 R HN 0.845 nan 8.270 nan 0.000 0.444 369 T N 0.647 115.083 114.554 -0.197 0.000 2.652 369 T HA -0.212 4.139 4.350 0.001 0.000 0.267 369 T C 1.774 176.409 174.700 -0.108 0.000 1.039 369 T CA 1.549 63.568 62.100 -0.135 0.000 1.153 369 T CB -0.215 68.600 68.868 -0.088 0.000 0.863 369 T HN 0.387 nan 8.240 nan 0.000 0.428 370 Q N -0.330 119.425 119.800 -0.076 0.000 2.234 370 Q HA -0.079 4.262 4.340 0.001 0.000 0.206 370 Q C 2.299 178.281 176.000 -0.030 0.000 0.980 370 Q CA 1.057 56.840 55.803 -0.034 0.000 0.869 370 Q CB -0.329 28.409 28.738 -0.001 0.000 0.912 370 Q HN 0.495 nan 8.270 nan 0.000 0.436 371 C N -0.733 118.520 119.300 -0.078 0.000 2.626 371 C HA 0.224 4.685 4.460 0.001 0.000 0.266 371 C C 1.608 176.481 174.990 -0.196 0.000 1.317 371 C CA 0.499 59.470 59.018 -0.077 0.000 1.716 371 C CB -0.855 26.829 27.740 -0.093 0.000 1.819 371 C HN 0.814 nan 8.230 nan 0.000 0.578 372 G N 0.416 109.101 108.800 -0.191 0.000 2.175 372 G HA2 -0.210 3.751 3.960 0.001 0.000 0.244 372 G HA3 -0.210 3.751 3.960 0.001 0.000 0.244 372 G C -0.026 174.710 174.900 -0.273 0.000 0.982 372 G CA -0.038 44.950 45.100 -0.187 0.000 0.641 372 G HN 0.495 nan 8.290 nan 0.000 0.527 373 L N 1.917 122.917 121.223 -0.370 0.000 2.379 373 L HA 0.555 4.896 4.340 0.001 0.000 0.269 373 L C -1.228 175.495 176.870 -0.245 0.000 1.084 373 L CA -2.328 52.286 54.840 -0.377 0.000 0.802 373 L CB 0.772 42.524 42.059 -0.511 0.000 1.175 373 L HN -0.049 nan 8.230 nan 0.000 0.448 374 P HA 0.105 nan 4.420 nan 0.000 0.274 374 P C -0.316 176.898 177.300 -0.142 0.000 1.256 374 P CA -0.323 62.694 63.100 -0.138 0.000 0.795 374 P CB 1.079 32.716 31.700 -0.105 0.000 1.038 375 E N -0.599 119.537 120.200 -0.107 0.000 2.086 375 E HA -0.027 4.324 4.350 0.001 0.000 0.190 375 E C 0.742 177.299 176.600 -0.072 0.000 0.975 375 E CA 0.973 57.317 56.400 -0.094 0.000 0.813 375 E CB -0.086 29.571 29.700 -0.072 0.000 0.768 375 E HN 0.448 nan 8.360 nan 0.000 0.457 376 Q N 0.006 119.770 119.800 -0.060 0.000 2.317 376 Q HA 0.486 4.826 4.340 0.001 0.000 0.229 376 Q C 0.315 176.283 176.000 -0.054 0.000 0.984 376 Q CA 0.130 55.903 55.803 -0.049 0.000 0.911 376 Q CB 1.251 29.965 28.738 -0.040 0.000 1.217 376 Q HN 0.275 nan 8.270 nan 0.000 0.501 377 G N -0.886 107.888 108.800 -0.043 0.000 2.674 377 G HA2 -0.105 3.856 3.960 0.001 0.000 0.686 377 G HA3 -0.105 3.856 3.960 0.001 0.000 0.686 377 G C -1.062 173.818 174.900 -0.035 0.000 1.195 377 G CA -0.721 44.355 45.100 -0.041 0.000 0.776 377 G HN 0.382 nan 8.290 nan 0.000 0.654 378 V N 1.324 121.223 119.914 -0.025 0.000 2.530 378 V HA 0.498 4.618 4.120 0.001 0.000 0.282 378 V C 0.949 177.040 176.094 -0.006 0.000 1.048 378 V CA 0.092 62.385 62.300 -0.012 0.000 0.997 378 V CB 1.418 33.236 31.823 -0.008 0.000 0.987 378 V HN 1.583 nan 8.190 nan 0.000 0.477 379 V N 8.027 127.952 119.914 0.018 0.000 2.313 379 V HA 0.545 4.665 4.120 0.001 0.000 0.278 379 V C -0.425 175.713 176.094 0.074 0.000 1.017 379 V CA -0.316 62.009 62.300 0.042 0.000 0.823 379 V CB 0.992 32.849 31.823 0.057 0.000 1.010 379 V HN 0.708 nan 8.190 nan 0.000 0.443 380 L N 7.474 128.718 121.223 0.034 0.000 2.343 380 L HA 0.824 5.165 4.340 0.001 0.000 0.275 380 L C 0.164 177.002 176.870 -0.053 0.000 1.056 380 L CA -0.210 54.628 54.840 -0.003 0.000 0.804 380 L CB 1.479 43.527 42.059 -0.019 0.000 1.203 380 L HN 0.881 nan 8.230 nan 0.000 0.440 381 C N 0.136 119.308 119.300 -0.213 0.000 3.173 381 C HA 0.833 5.294 4.460 0.001 0.000 0.310 381 C C -0.800 173.634 174.990 -0.927 0.000 1.306 381 C CA -1.341 57.379 59.018 -0.496 0.000 1.426 381 C CB 1.156 28.495 27.740 -0.669 0.000 1.800 381 C HN 1.036 nan 8.230 nan 0.000 0.470 382 C N 3.540 122.271 119.300 -0.949 0.000 2.620 382 C HA 0.705 5.165 4.460 0.001 0.000 0.356 382 C C -0.498 174.200 174.990 -0.487 0.000 1.082 382 C CA -0.381 58.070 59.018 -0.946 0.000 1.293 382 C CB -0.378 27.101 27.740 -0.435 0.000 1.836 382 C HN 0.868 nan 8.230 nan 0.000 0.453 383 F N 3.709 123.528 119.950 -0.217 0.000 2.668 383 F HA 0.339 4.866 4.527 0.001 0.000 0.297 383 F C 1.144 176.987 175.800 0.072 0.000 1.124 383 F CA -0.598 57.396 58.000 -0.009 0.000 1.353 383 F CB -0.687 38.385 39.000 0.121 0.000 0.992 383 F HN 0.541 nan 8.300 nan 0.000 0.524 384 N N 1.042 119.866 118.700 0.207 0.000 2.444 384 N HA 0.010 4.750 4.740 0.001 0.000 0.255 384 N C 0.352 175.807 175.510 -0.091 0.000 1.255 384 N CA -0.026 53.052 53.050 0.046 0.000 0.933 384 N CB 0.468 38.945 38.487 -0.017 0.000 1.143 384 N HN 0.105 nan 8.380 nan 0.000 0.453 385 N N -0.241 118.298 118.700 -0.268 0.000 2.340 385 N HA -0.040 4.700 4.740 0.001 0.000 0.236 385 N C 1.232 176.465 175.510 -0.462 0.000 1.296 385 N CA 0.066 52.894 53.050 -0.371 0.000 0.896 385 N CB 0.426 38.596 38.487 -0.529 0.000 1.127 385 N HN 0.526 nan 8.380 nan 0.000 0.442 386 S N 0.761 116.301 115.700 -0.266 0.000 2.382 386 S HA -0.234 4.236 4.470 0.001 0.000 0.228 386 S C 1.806 176.353 174.600 -0.088 0.000 1.027 386 S CA 1.315 59.447 58.200 -0.113 0.000 0.991 386 S CB -0.892 62.282 63.200 -0.043 0.000 0.823 386 S HN 0.749 nan 8.310 nan 0.000 0.469 387 Y N 1.682 121.970 120.300 -0.019 0.000 2.569 387 Y HA 0.260 4.811 4.550 0.001 0.000 0.293 387 Y C 1.744 177.624 175.900 -0.034 0.000 1.144 387 Y CA 0.378 58.467 58.100 -0.017 0.000 1.321 387 Y CB -0.660 37.787 38.460 -0.021 0.000 0.982 387 Y HN 0.156 nan 8.280 nan 0.000 0.558 388 K N 0.619 120.870 120.400 -0.249 0.000 2.323 388 K HA 0.245 4.566 4.320 0.001 0.000 0.197 388 K C 0.037 176.600 176.600 -0.062 0.000 1.043 388 K CA 0.031 56.224 56.287 -0.157 0.000 0.997 388 K CB 0.189 32.508 32.500 -0.301 0.000 0.807 388 K HN 0.269 nan 8.250 nan 0.000 0.497 389 L N 3.841 125.053 121.223 -0.019 0.000 2.404 389 L HA 0.095 4.436 4.340 0.001 0.000 0.277 389 L C -0.367 176.586 176.870 0.138 0.000 1.184 389 L CA -0.739 54.143 54.840 0.071 0.000 1.013 389 L CB -0.741 41.392 42.059 0.123 0.000 1.318 389 L HN 0.213 nan 8.230 nan 0.000 0.435 390 N N 2.434 121.077 118.700 -0.095 0.000 2.502 390 N HA 0.477 5.218 4.740 0.001 0.000 0.280 390 N C -2.248 172.761 175.510 -0.835 0.000 1.223 390 N CA -2.483 50.279 53.050 -0.481 0.000 0.966 390 N CB 0.183 38.447 38.487 -0.371 0.000 1.203 390 N HN -0.153 nan 8.380 nan 0.000 0.565 391 P HA -0.243 nan 4.420 nan 0.000 0.216 391 P C 1.341 178.422 177.300 -0.365 0.000 1.157 391 P CA 1.955 64.403 63.100 -1.086 0.000 0.880 391 P CB 0.202 31.396 31.700 -0.842 0.000 0.791 392 Q N -0.711 118.920 119.800 -0.281 0.000 2.119 392 Q HA -0.120 4.221 4.340 0.001 0.000 0.201 392 Q C 1.971 177.913 176.000 -0.096 0.000 0.972 392 Q CA 1.832 57.556 55.803 -0.132 0.000 0.847 392 Q CB -0.405 28.265 28.738 -0.115 0.000 0.903 392 Q HN 0.104 nan 8.270 nan 0.000 0.433 393 S N 0.193 115.827 115.700 -0.110 0.000 2.368 393 S HA -0.078 4.393 4.470 0.001 0.000 0.224 393 S C 1.889 176.501 174.600 0.020 0.000 1.029 393 S CA 1.087 59.243 58.200 -0.073 0.000 0.988 393 S CB -0.069 63.100 63.200 -0.051 0.000 0.838 393 S HN 0.366 nan 8.310 nan 0.000 0.462 394 M N 1.588 121.238 119.600 0.084 0.000 2.077 394 M HA 0.053 4.534 4.480 0.001 0.000 0.261 394 M C 2.541 179.044 176.300 0.339 0.000 1.070 394 M CA 1.457 56.916 55.300 0.264 0.000 1.125 394 M CB -1.871 30.986 32.600 0.428 0.000 1.339 394 M HN 0.338 nan 8.290 nan 0.000 0.409 395 A N 1.150 124.197 122.820 0.377 0.000 1.884 395 A HA -0.264 4.057 4.320 0.001 0.000 0.219 395 A C 2.244 179.919 177.584 0.152 0.000 1.197 395 A CA 2.767 54.973 52.037 0.282 0.000 0.637 395 A CB -0.923 18.214 19.000 0.228 0.000 0.827 395 A HN 0.635 nan 8.150 nan 0.000 0.450 396 R N -0.874 119.691 120.500 0.108 0.000 2.115 396 R HA -0.026 4.314 4.340 0.001 0.000 0.230 396 R C 2.035 178.456 176.300 0.201 0.000 1.111 396 R CA 1.781 57.946 56.100 0.110 0.000 0.976 396 R CB -0.479 29.818 30.300 -0.006 0.000 0.870 396 R HN 0.508 nan 8.270 nan 0.000 0.445 397 M N 1.127 120.842 119.600 0.192 0.000 2.077 397 M HA -0.080 4.400 4.480 0.001 0.000 0.261 397 M C 2.330 178.708 176.300 0.129 0.000 1.070 397 M CA 1.727 57.143 55.300 0.194 0.000 1.125 397 M CB -0.320 32.373 32.600 0.155 0.000 1.339 397 M HN 0.124 nan 8.290 nan 0.000 0.409 398 L N 0.035 121.331 121.223 0.121 0.000 2.129 398 L HA -0.204 4.137 4.340 0.001 0.000 0.212 398 L C 2.785 179.680 176.870 0.042 0.000 1.087 398 L CA 1.144 56.025 54.840 0.069 0.000 0.757 398 L CB -1.099 40.988 42.059 0.047 0.000 0.896 398 L HN 0.333 nan 8.230 nan 0.000 0.434 399 A N -0.502 122.355 122.820 0.063 0.000 2.024 399 A HA -0.130 4.191 4.320 0.001 0.000 0.220 399 A C 2.378 179.990 177.584 0.047 0.000 1.164 399 A CA 1.685 53.752 52.037 0.050 0.000 0.643 399 A CB -0.638 18.404 19.000 0.070 0.000 0.806 399 A HN 0.217 nan 8.150 nan 0.000 0.451 400 V N -0.156 119.795 119.914 0.062 0.000 2.407 400 V HA -0.179 3.941 4.120 0.001 0.000 0.245 400 V C 2.508 178.610 176.094 0.014 0.000 1.041 400 V CA 1.643 63.964 62.300 0.035 0.000 1.040 400 V CB -0.547 31.296 31.823 0.032 0.000 0.671 400 V HN 0.592 nan 8.190 nan 0.000 0.455 401 L N -0.580 120.653 121.223 0.017 0.000 2.079 401 L HA -0.232 4.108 4.340 0.001 0.000 0.210 401 L C 2.779 179.644 176.870 -0.008 0.000 1.081 401 L CA 1.708 56.550 54.840 0.002 0.000 0.752 401 L CB -0.647 41.414 42.059 0.004 0.000 0.896 401 L HN 0.270 nan 8.230 nan 0.000 0.433 402 R N 0.075 120.569 120.500 -0.009 0.000 2.080 402 R HA -0.207 4.134 4.340 0.001 0.000 0.236 402 R C 2.210 178.501 176.300 -0.015 0.000 1.137 402 R CA 1.903 57.992 56.100 -0.018 0.000 0.943 402 R CB -0.302 29.985 30.300 -0.021 0.000 0.846 402 R HN 0.440 nan 8.270 nan 0.000 0.431 403 E N -0.084 120.111 120.200 -0.008 0.000 2.107 403 E HA -0.046 4.305 4.350 0.001 0.000 0.191 403 E C 0.017 176.610 176.600 -0.011 0.000 0.982 403 E CA 0.496 56.891 56.400 -0.009 0.000 0.809 403 E CB 0.319 30.016 29.700 -0.004 0.000 0.756 403 E HN 0.009 nan 8.360 nan 0.000 0.459 404 V N 2.942 122.849 119.914 -0.011 0.000 2.389 404 V HA 0.037 4.158 4.120 0.001 0.000 0.264 404 V C -1.761 174.324 176.094 -0.016 0.000 1.049 404 V CA -1.002 61.289 62.300 -0.014 0.000 0.932 404 V CB 0.807 32.622 31.823 -0.014 0.000 1.011 404 V HN 0.061 nan 8.190 nan 0.000 0.475 405 P HA -0.098 nan 4.420 nan 0.000 0.216 405 P C 1.006 178.294 177.300 -0.020 0.000 1.153 405 P CA 1.076 64.165 63.100 -0.018 0.000 0.848 405 P CB 0.352 32.042 31.700 -0.017 0.000 0.787 406 D N -0.708 119.679 120.400 -0.021 0.000 2.123 406 D HA -0.082 4.559 4.640 0.001 0.000 0.196 406 D C 0.752 177.034 176.300 -0.029 0.000 0.992 406 D CA 1.220 55.204 54.000 -0.025 0.000 0.833 406 D CB -0.164 40.620 40.800 -0.027 0.000 0.954 406 D HN 0.283 nan 8.370 nan 0.000 0.455 407 S N -1.148 114.536 115.700 -0.026 0.000 2.638 407 S HA 0.717 5.187 4.470 0.001 0.000 0.302 407 S C -0.673 173.909 174.600 -0.029 0.000 1.096 407 S CA -0.998 57.187 58.200 -0.025 0.000 0.953 407 S CB 2.643 65.832 63.200 -0.018 0.000 1.107 407 S HN -0.119 nan 8.310 nan 0.000 0.503 408 V N 1.134 121.029 119.914 -0.031 0.000 2.841 408 V HA 0.578 4.699 4.120 0.001 0.000 0.310 408 V C -1.458 174.620 176.094 -0.026 0.000 1.090 408 V CA -0.749 61.526 62.300 -0.043 0.000 0.930 408 V CB 1.915 33.690 31.823 -0.081 0.000 1.014 408 V HN 0.899 nan 8.190 nan 0.000 0.425 409 L N 4.937 126.140 121.223 -0.033 0.000 2.287 409 L HA 0.628 4.968 4.340 0.001 0.000 0.287 409 L C -1.341 175.524 176.870 -0.008 0.000 1.022 409 L CA 0.025 54.849 54.840 -0.026 0.000 0.814 409 L CB 1.221 43.260 42.059 -0.033 0.000 1.217 409 L HN 0.735 nan 8.230 nan 0.000 0.420 410 W N 7.437 128.613 121.300 -0.206 0.000 2.391 410 W HA 0.635 5.296 4.660 0.001 0.000 0.311 410 W C -1.603 174.795 176.519 -0.202 0.000 1.087 410 W CA -1.201 56.038 57.345 -0.177 0.000 1.209 410 W CB 1.074 30.480 29.460 -0.090 0.000 1.273 410 W HN 0.416 nan 8.180 nan 0.000 0.482 411 L N 5.518 126.836 121.223 0.157 0.000 2.327 411 L HA 0.463 4.803 4.340 0.001 0.000 0.258 411 L C 0.061 177.071 176.870 0.234 0.000 1.024 411 L CA -1.404 53.465 54.840 0.049 0.000 0.825 411 L CB 1.945 43.902 42.059 -0.169 0.000 1.386 411 L HN 0.123 nan 8.230 nan 0.000 0.417 412 L N 0.541 121.920 121.223 0.259 0.000 2.452 412 L HA 0.178 4.519 4.340 0.001 0.000 0.267 412 L C 0.571 177.596 176.870 0.258 0.000 1.188 412 L CA 0.142 55.070 54.840 0.147 0.000 0.821 412 L CB 1.415 43.512 42.059 0.063 0.000 1.102 412 L HN 0.585 nan 8.230 nan 0.000 0.470 413 S N 0.793 116.633 115.700 0.233 0.000 2.531 413 S HA 0.357 4.827 4.470 0.001 0.000 0.279 413 S C 0.255 174.926 174.600 0.118 0.000 1.305 413 S CA -0.469 57.876 58.200 0.241 0.000 1.058 413 S CB 0.814 64.104 63.200 0.150 0.000 0.899 413 S HN 0.722 nan 8.310 nan 0.000 0.493 414 G N 3.949 112.799 108.800 0.084 0.000 2.521 414 G HA2 0.648 4.609 3.960 0.001 0.000 0.323 414 G HA3 0.648 4.609 3.960 0.001 0.000 0.323 414 G C -2.753 172.136 174.900 -0.018 0.000 1.211 414 G CA -1.379 43.731 45.100 0.017 0.000 0.979 414 G HN 0.490 nan 8.290 nan 0.000 0.490 415 P HA 0.381 nan 4.420 nan 0.000 0.274 415 P C 1.006 178.285 177.300 -0.036 0.000 1.256 415 P CA 0.832 63.922 63.100 -0.016 0.000 0.795 415 P CB 0.410 32.107 31.700 -0.005 0.000 1.038 416 G N 1.224 110.027 108.800 0.004 0.000 2.581 416 G HA2 -0.259 3.702 3.960 0.001 0.000 0.291 416 G HA3 -0.259 3.702 3.960 0.001 0.000 0.291 416 G C 0.200 175.070 174.900 -0.050 0.000 1.277 416 G CA 0.068 45.169 45.100 0.001 0.000 0.959 416 G HN 0.579 nan 8.290 nan 0.000 0.554 417 E N 1.152 121.315 120.200 -0.063 0.000 2.335 417 E HA 0.396 4.747 4.350 0.001 0.000 0.191 417 E C 2.057 178.572 176.600 -0.142 0.000 1.077 417 E CA 0.769 57.110 56.400 -0.098 0.000 1.010 417 E CB -0.088 29.566 29.700 -0.077 0.000 1.141 417 E HN 0.772 nan 8.360 nan 0.000 0.452 418 A N 1.577 124.309 122.820 -0.146 0.000 1.873 418 A HA -0.253 4.068 4.320 0.001 0.000 0.218 418 A C 1.622 179.091 177.584 -0.191 0.000 1.193 418 A CA 1.928 53.865 52.037 -0.166 0.000 0.629 418 A CB -0.287 18.639 19.000 -0.123 0.000 0.826 418 A HN 0.122 nan 8.150 nan 0.000 0.447 419 D N 0.236 120.463 120.400 -0.289 0.000 2.104 419 D HA -0.091 4.550 4.640 0.001 0.000 0.194 419 D C 2.182 178.256 176.300 -0.377 0.000 0.994 419 D CA 1.739 55.378 54.000 -0.602 0.000 0.830 419 D CB -0.639 39.448 40.800 -1.188 0.000 0.959 419 D HN 0.460 nan 8.370 nan 0.000 0.452 420 A N 1.097 123.754 122.820 -0.273 0.000 1.927 420 A HA -0.278 4.042 4.320 0.001 0.000 0.220 420 A C 2.143 179.668 177.584 -0.099 0.000 1.185 420 A CA 1.807 53.752 52.037 -0.153 0.000 0.639 420 A CB -0.524 18.402 19.000 -0.123 0.000 0.820 420 A HN 0.154 nan 8.150 nan 0.000 0.451 421 R N -0.792 119.625 120.500 -0.138 0.000 2.081 421 R HA -0.043 4.297 4.340 0.001 0.000 0.235 421 R C 2.129 178.362 176.300 -0.112 0.000 1.131 421 R CA 1.389 57.390 56.100 -0.165 0.000 0.960 421 R CB -0.607 29.510 30.300 -0.306 0.000 0.856 421 R HN 0.529 nan 8.270 nan 0.000 0.436 422 L N 0.392 121.577 121.223 -0.062 0.000 2.017 422 L HA -0.177 4.164 4.340 0.001 0.000 0.208 422 L C 2.745 179.756 176.870 0.235 0.000 1.073 422 L CA 1.466 56.377 54.840 0.119 0.000 0.745 422 L CB -0.390 41.826 42.059 0.262 0.000 0.894 422 L HN 0.140 nan 8.230 nan 0.000 0.432 423 R N -0.169 120.443 120.500 0.187 0.000 2.080 423 R HA -0.204 4.137 4.340 0.001 0.000 0.236 423 R C 2.431 178.820 176.300 0.149 0.000 1.137 423 R CA 1.545 57.749 56.100 0.173 0.000 0.943 423 R CB -0.722 29.643 30.300 0.109 0.000 0.846 423 R HN 0.383 nan 8.270 nan 0.000 0.431 424 A N 1.004 123.883 122.820 0.098 0.000 1.903 424 A HA -0.249 4.071 4.320 0.001 0.000 0.219 424 A C 2.028 179.717 177.584 0.175 0.000 1.191 424 A CA 1.644 53.739 52.037 0.098 0.000 0.638 424 A CB -0.801 18.226 19.000 0.045 0.000 0.823 424 A HN 0.405 nan 8.150 nan 0.000 0.451 425 F N 0.834 120.802 119.950 0.030 0.000 2.134 425 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 425 F C 2.546 178.413 175.800 0.111 0.000 1.097 425 F CA 1.033 59.076 58.000 0.072 0.000 1.264 425 F CB -0.585 38.445 39.000 0.050 0.000 1.001 425 F HN 0.266 nan 8.300 nan 0.000 0.479 426 A N -0.587 122.311 122.820 0.130 0.000 1.865 426 A HA -0.312 4.008 4.320 0.001 0.000 0.217 426 A C 2.086 179.646 177.584 -0.040 0.000 1.191 426 A CA 2.189 54.238 52.037 0.020 0.000 0.623 426 A CB -1.504 17.570 19.000 0.124 0.000 0.826 426 A HN 0.623 nan 8.150 nan 0.000 0.444 427 H N -0.483 118.568 119.070 -0.031 0.000 2.353 427 H HA 0.045 4.602 4.556 0.001 0.000 0.300 427 H C 2.199 177.484 175.328 -0.072 0.000 1.090 427 H CA 1.760 57.786 56.048 -0.036 0.000 1.327 427 H CB -0.175 29.584 29.762 -0.005 0.000 1.383 427 H HN 0.437 nan 8.280 nan 0.000 0.508 428 A N 0.039 122.884 122.820 0.042 0.000 2.131 428 A HA -0.180 4.141 4.320 0.001 0.000 0.220 428 A C 2.036 179.515 177.584 -0.175 0.000 1.158 428 A CA 1.590 53.608 52.037 -0.031 0.000 0.665 428 A CB -0.193 18.816 19.000 0.016 0.000 0.795 428 A HN 0.526 nan 8.150 nan 0.000 0.460 429 Q N -2.054 117.572 119.800 -0.289 0.000 2.396 429 Q HA 0.190 4.530 4.340 0.001 0.000 0.209 429 Q C 0.884 176.765 176.000 -0.198 0.000 0.906 429 Q CA 0.794 56.413 55.803 -0.306 0.000 0.927 429 Q CB 0.538 29.017 28.738 -0.433 0.000 1.069 429 Q HN 0.999 nan 8.270 nan 0.000 0.523 430 G N 0.686 109.356 108.800 -0.216 0.000 2.288 430 G HA2 -0.158 3.802 3.960 0.001 0.000 0.205 430 G HA3 -0.158 3.802 3.960 0.001 0.000 0.205 430 G C -0.451 174.334 174.900 -0.191 0.000 1.071 430 G CA 0.010 44.976 45.100 -0.222 0.000 0.788 430 G HN 0.104 nan 8.290 nan 0.000 0.491 431 V N 0.078 119.875 119.914 -0.195 0.000 2.686 431 V HA 0.486 4.606 4.120 0.001 0.000 0.306 431 V C -0.011 176.042 176.094 -0.068 0.000 1.065 431 V CA -1.111 61.125 62.300 -0.107 0.000 0.894 431 V CB 1.988 33.778 31.823 -0.054 0.000 1.004 431 V HN 0.410 nan 8.190 nan 0.000 0.424 432 D N 3.225 123.608 120.400 -0.029 0.000 2.520 432 D HA 0.115 4.756 4.640 0.001 0.000 0.243 432 D C 1.158 177.505 176.300 0.079 0.000 1.160 432 D CA 0.776 54.804 54.000 0.047 0.000 0.877 432 D CB 1.800 42.617 40.800 0.029 0.000 1.150 432 D HN 0.719 nan 8.370 nan 0.000 0.494 433 A N 4.870 127.773 122.820 0.139 0.000 2.070 433 A HA -0.182 4.139 4.320 0.001 0.000 0.220 433 A C 1.834 179.488 177.584 0.118 0.000 1.159 433 A CA 0.948 53.069 52.037 0.140 0.000 0.656 433 A CB -0.249 18.838 19.000 0.145 0.000 0.800 433 A HN 0.635 nan 8.150 nan 0.000 0.453 434 Q N -0.326 119.524 119.800 0.083 0.000 2.500 434 Q HA -0.064 4.277 4.340 0.001 0.000 0.213 434 Q C 1.482 177.500 176.000 0.030 0.000 0.974 434 Q CA 0.744 56.581 55.803 0.056 0.000 0.918 434 Q CB -0.156 28.602 28.738 0.033 0.000 0.980 434 Q HN 0.713 nan 8.270 nan 0.000 0.505 435 R N -0.257 120.260 120.500 0.029 0.000 2.300 435 R HA 0.211 4.552 4.340 0.001 0.000 0.199 435 R C 0.318 176.603 176.300 -0.025 0.000 0.920 435 R CA 0.047 56.144 56.100 -0.005 0.000 1.046 435 R CB 0.370 30.669 30.300 -0.003 0.000 0.984 435 R HN 0.092 nan 8.270 nan 0.000 0.493 436 L N 1.138 122.357 121.223 -0.005 0.000 2.309 436 L HA 0.466 4.806 4.340 0.001 0.000 0.282 436 L C -0.414 176.361 176.870 -0.158 0.000 1.036 436 L CA -0.953 53.821 54.840 -0.111 0.000 0.806 436 L CB 1.870 43.870 42.059 -0.099 0.000 1.220 436 L HN -0.268 nan 8.230 nan 0.000 0.429 437 V N 2.949 122.698 119.914 -0.275 0.000 2.487 437 V HA 0.403 4.524 4.120 0.001 0.000 0.298 437 V C -0.645 175.387 176.094 -0.103 0.000 1.028 437 V CA -0.336 61.881 62.300 -0.139 0.000 0.860 437 V CB 1.749 33.402 31.823 -0.283 0.000 0.991 437 V HN 0.414 nan 8.190 nan 0.000 0.427 438 F N 4.423 124.487 119.950 0.190 0.000 2.308 438 F HA 0.488 5.014 4.527 -0.001 0.000 0.370 438 F C 0.463 176.408 175.800 0.242 0.000 1.100 438 F CA -0.364 57.770 58.000 0.224 0.000 1.108 438 F CB 1.318 40.391 39.000 0.122 0.000 1.293 438 F HN 0.383 nan 8.300 nan 0.000 0.478 439 M N 6.951 126.820 119.600 0.450 0.000 2.238 439 M HA 0.218 4.699 4.480 0.001 0.000 0.350 439 M C -2.224 174.163 176.300 0.144 0.000 1.321 439 M CA -1.375 54.106 55.300 0.302 0.000 1.097 439 M CB 0.849 33.506 32.600 0.095 0.000 1.713 439 M HN 0.225 nan 8.290 nan 0.000 0.455 440 P HA 0.167 nan 4.420 nan 0.000 0.279 440 P C -1.564 175.736 177.300 -0.001 0.000 1.282 440 P CA -0.475 62.661 63.100 0.060 0.000 0.788 440 P CB 0.438 32.175 31.700 0.062 0.000 1.139 441 K N 0.546 120.941 120.400 -0.008 0.000 2.383 441 K HA 0.263 4.583 4.320 0.001 0.000 0.286 441 K C -0.623 175.960 176.600 -0.028 0.000 1.051 441 K CA 0.020 56.282 56.287 -0.041 0.000 0.974 441 K CB -0.550 31.938 32.500 -0.019 0.000 0.968 441 K HN 0.348 nan 8.250 nan 0.000 0.475 442 L N 6.469 127.663 121.223 -0.049 0.000 2.362 442 L HA 0.475 4.816 4.340 0.001 0.000 0.271 442 L C -2.080 174.793 176.870 0.004 0.000 1.002 442 L CA -2.566 52.271 54.840 -0.005 0.000 0.818 442 L CB 1.872 43.942 42.059 0.019 0.000 1.298 442 L HN 0.598 nan 8.230 nan 0.000 0.420 443 P HA 0.021 nan 4.420 nan 0.000 0.267 443 P C 0.266 177.632 177.300 0.110 0.000 1.200 443 P CA -0.069 63.061 63.100 0.051 0.000 0.772 443 P CB 0.541 32.269 31.700 0.046 0.000 0.855 444 H N 4.538 123.641 119.070 0.056 0.000 2.260 444 H HA -0.194 4.363 4.556 0.002 0.000 0.288 444 H C -0.878 174.560 175.328 0.184 0.000 1.094 444 H CA 3.105 59.249 56.048 0.161 0.000 1.197 444 H CB -1.550 28.279 29.762 0.111 0.000 1.346 444 H HN 0.440 nan 8.280 nan 0.000 0.486 445 P HA -0.170 nan 4.420 nan 0.000 0.217 445 P C 1.103 178.395 177.300 -0.014 0.000 1.148 445 P CA 2.196 65.326 63.100 0.050 0.000 0.834 445 P CB -0.048 31.700 31.700 0.081 0.000 0.783 446 Q N -2.532 117.273 119.800 0.009 0.000 2.163 446 Q HA -0.135 4.206 4.340 0.001 0.000 0.198 446 Q C 2.170 178.149 176.000 -0.035 0.000 0.954 446 Q CA 0.837 56.641 55.803 0.001 0.000 0.851 446 Q CB -0.686 28.068 28.738 0.027 0.000 0.928 446 Q HN 0.326 nan 8.270 nan 0.000 0.459 447 Y N 1.714 121.911 120.300 -0.172 0.000 2.097 447 Y HA -0.269 4.281 4.550 -0.000 0.000 0.282 447 Y C 1.989 177.721 175.900 -0.279 0.000 1.152 447 Y CA 1.287 59.223 58.100 -0.274 0.000 1.136 447 Y CB -0.492 37.797 38.460 -0.285 0.000 0.975 447 Y HN 0.090 nan 8.280 nan 0.000 0.498 448 L N 1.248 122.065 121.223 -0.677 0.000 2.129 448 L HA -0.127 4.213 4.340 0.001 0.000 0.212 448 L C 2.410 179.132 176.870 -0.246 0.000 1.087 448 L CA 2.034 56.521 54.840 -0.588 0.000 0.757 448 L CB -1.223 40.606 42.059 -0.383 0.000 0.896 448 L HN 0.409 nan 8.230 nan 0.000 0.434 449 A N -0.969 121.738 122.820 -0.189 0.000 2.015 449 A HA -0.129 4.192 4.320 0.001 0.000 0.219 449 A C 2.178 179.720 177.584 -0.070 0.000 1.163 449 A CA 0.902 52.886 52.037 -0.087 0.000 0.646 449 A CB -0.445 18.526 19.000 -0.048 0.000 0.806 449 A HN 0.386 nan 8.150 nan 0.000 0.448 450 R N -1.000 119.416 120.500 -0.140 0.000 2.159 450 R HA -0.158 4.183 4.340 0.001 0.000 0.237 450 R C 1.602 177.917 176.300 0.025 0.000 1.131 450 R CA 1.337 57.421 56.100 -0.027 0.000 0.982 450 R CB -1.087 29.032 30.300 -0.302 0.000 0.868 450 R HN 0.776 nan 8.270 nan 0.000 0.453 451 Y N 0.844 121.119 120.300 -0.040 0.000 2.315 451 Y HA -0.174 4.378 4.550 0.003 0.000 0.288 451 Y C 2.443 178.389 175.900 0.077 0.000 1.154 451 Y CA 1.046 59.166 58.100 0.033 0.000 1.229 451 Y CB -0.077 38.366 38.460 -0.029 0.000 0.980 451 Y HN 0.043 nan 8.280 nan 0.000 0.540 452 R N -0.871 119.699 120.500 0.116 0.000 2.152 452 R HA -0.147 4.194 4.340 0.001 0.000 0.232 452 R C 1.418 177.713 176.300 -0.009 0.000 1.117 452 R CA 1.168 57.262 56.100 -0.010 0.000 0.981 452 R CB -0.313 29.891 30.300 -0.160 0.000 0.870 452 R HN 0.458 nan 8.270 nan 0.000 0.451 453 H N -0.267 118.933 119.070 0.216 0.000 2.548 453 H HA 0.217 4.774 4.556 0.002 0.000 0.268 453 H C 0.433 175.907 175.328 0.243 0.000 0.975 453 H CA 0.405 56.574 56.048 0.200 0.000 1.195 453 H CB 0.076 29.966 29.762 0.214 0.000 1.397 453 H HN 0.132 nan 8.280 nan 0.000 0.572 454 A N 0.879 123.958 122.820 0.432 0.000 2.331 454 A HA 0.188 4.509 4.320 0.001 0.000 0.283 454 A C 0.510 178.262 177.584 0.280 0.000 1.142 454 A CA -0.500 51.755 52.037 0.363 0.000 0.812 454 A CB 0.716 19.929 19.000 0.355 0.000 1.074 454 A HN 0.103 nan 8.150 nan 0.000 0.497 455 D N 0.085 120.614 120.400 0.215 0.000 2.324 455 D HA 0.190 4.830 4.640 0.001 0.000 0.212 455 D C -0.364 176.124 176.300 0.314 0.000 0.984 455 D CA 0.934 55.066 54.000 0.220 0.000 0.885 455 D CB 0.438 41.293 40.800 0.091 0.000 0.996 455 D HN 0.320 nan 8.370 nan 0.000 0.505 456 L N -0.087 121.248 121.223 0.187 0.000 2.565 456 L HA 0.344 4.684 4.340 0.001 0.000 0.261 456 L C -1.908 175.030 176.870 0.114 0.000 0.932 456 L CA -0.776 54.143 54.840 0.132 0.000 0.878 456 L CB 2.002 44.098 42.059 0.063 0.000 1.333 456 L HN -0.210 nan 8.230 nan 0.000 0.409 457 F N 5.458 125.410 119.950 0.003 0.000 2.411 457 F HA 0.573 5.101 4.527 0.002 0.000 0.350 457 F C -0.640 175.178 175.800 0.030 0.000 1.114 457 F CA -0.420 57.580 58.000 -0.000 0.000 1.135 457 F CB 0.741 39.745 39.000 0.007 0.000 1.120 457 F HN 0.360 nan 8.300 nan 0.000 0.495 458 L N 6.197 127.439 121.223 0.033 0.000 2.264 458 L HA 0.229 4.569 4.340 0.001 0.000 0.287 458 L C -0.258 176.850 176.870 0.395 0.000 1.039 458 L CA -0.731 54.273 54.840 0.274 0.000 0.829 458 L CB 0.724 42.895 42.059 0.187 0.000 1.211 458 L HN 0.599 nan 8.230 nan 0.000 0.427 459 D N 2.036 122.790 120.400 0.591 0.000 2.360 459 D HA 0.206 4.846 4.640 0.001 0.000 0.242 459 D C 0.036 176.476 176.300 0.232 0.000 1.184 459 D CA 0.039 54.320 54.000 0.468 0.000 0.930 459 D CB 1.159 42.177 40.800 0.364 0.000 1.161 459 D HN 0.496 nan 8.370 nan 0.000 0.447 460 T N -0.870 113.787 114.554 0.171 0.000 2.925 460 T HA 0.514 4.865 4.350 0.001 0.000 0.285 460 T C -0.581 174.169 174.700 0.083 0.000 1.021 460 T CA -0.740 61.400 62.100 0.068 0.000 1.042 460 T CB 1.341 70.234 68.868 0.042 0.000 1.037 460 T HN 0.470 nan 8.240 nan 0.000 0.481 461 H N 1.772 120.801 119.070 -0.069 0.000 2.637 461 H HA 0.493 5.049 4.556 0.001 0.000 0.363 461 H C -2.177 173.114 175.328 -0.062 0.000 1.131 461 H CA -2.163 53.850 56.048 -0.059 0.000 1.183 461 H CB 2.537 32.232 29.762 -0.112 0.000 1.637 461 H HN 0.376 nan 8.280 nan 0.000 0.531 462 P HA 0.002 nan 4.420 nan 0.000 0.255 462 P C -0.721 176.376 177.300 -0.338 0.000 1.248 462 P CA 0.562 63.039 63.100 -1.038 0.000 0.807 462 P CB 0.136 31.388 31.700 -0.746 0.000 1.150 463 Y N 1.193 121.344 120.300 -0.249 0.000 2.575 463 Y HA 0.304 4.856 4.550 0.002 0.000 0.326 463 Y C 0.034 175.914 175.900 -0.033 0.000 0.979 463 Y CA -1.147 56.880 58.100 -0.121 0.000 1.286 463 Y CB 0.395 38.801 38.460 -0.091 0.000 1.093 463 Y HN -0.178 nan 8.280 nan 0.000 0.501 464 N N 2.933 121.826 118.700 0.321 0.000 2.395 464 N HA 0.111 4.851 4.740 0.001 0.000 0.246 464 N C -0.185 175.437 175.510 0.188 0.000 1.246 464 N CA -0.126 53.053 53.050 0.214 0.000 0.879 464 N CB 0.722 39.315 38.487 0.176 0.000 1.098 464 N HN 0.659 nan 8.380 nan 0.000 0.444 465 A N 1.075 123.981 122.820 0.144 0.000 2.566 465 A HA 0.182 4.503 4.320 0.001 0.000 0.245 465 A C 0.856 178.504 177.584 0.107 0.000 1.056 465 A CA 0.717 52.822 52.037 0.114 0.000 0.757 465 A CB -0.441 18.590 19.000 0.052 0.000 0.979 465 A HN 0.945 nan 8.150 nan 0.000 0.508 466 H N 1.301 120.457 119.070 0.143 0.000 2.587 466 H HA 0.147 4.704 4.556 0.001 0.000 0.312 466 H C 2.101 177.486 175.328 0.095 0.000 1.314 466 H CA 1.455 57.603 56.048 0.166 0.000 1.962 466 H CB -1.036 28.889 29.762 0.272 0.000 1.536 466 H HN 0.665 nan 8.280 nan 0.000 0.619 467 T N 0.446 115.070 114.554 0.116 0.000 2.653 467 T HA -0.260 4.090 4.350 0.001 0.000 0.268 467 T C 2.341 177.120 174.700 0.132 0.000 1.035 467 T CA 3.646 65.806 62.100 0.100 0.000 1.154 467 T CB -0.888 68.049 68.868 0.115 0.000 0.862 467 T HN 0.840 nan 8.240 nan 0.000 0.441 468 T N 0.289 114.949 114.554 0.176 0.000 2.915 468 T HA 0.104 4.454 4.350 0.001 0.000 0.269 468 T C 2.159 176.852 174.700 -0.011 0.000 1.071 468 T CA 1.158 63.421 62.100 0.273 0.000 1.132 468 T CB -0.474 68.664 68.868 0.450 0.000 0.878 468 T HN 0.348 nan 8.240 nan 0.000 0.479 469 A N 1.389 124.107 122.820 -0.171 0.000 1.902 469 A HA -0.004 4.317 4.320 0.001 0.000 0.217 469 A C 2.721 180.180 177.584 -0.207 0.000 1.181 469 A CA 1.985 53.792 52.037 -0.383 0.000 0.623 469 A CB -1.318 17.539 19.000 -0.238 0.000 0.818 469 A HN 0.537 nan 8.150 nan 0.000 0.443 470 S N -0.355 115.311 115.700 -0.057 0.000 2.368 470 S HA -0.183 4.288 4.470 0.001 0.000 0.225 470 S C 1.700 176.372 174.600 0.119 0.000 1.030 470 S CA 1.680 59.918 58.200 0.063 0.000 0.999 470 S CB -0.535 62.685 63.200 0.033 0.000 0.844 470 S HN 0.578 nan 8.310 nan 0.000 0.459 471 D N 1.655 122.101 120.400 0.077 0.000 2.087 471 D HA -0.076 4.565 4.640 0.001 0.000 0.192 471 D C 2.298 178.403 176.300 -0.325 0.000 0.993 471 D CA 1.506 55.541 54.000 0.058 0.000 0.828 471 D CB -0.929 40.052 40.800 0.303 0.000 0.968 471 D HN 0.469 nan 8.370 nan 0.000 0.448 472 A N 0.614 123.044 122.820 -0.650 0.000 1.917 472 A HA -0.186 4.135 4.320 0.001 0.000 0.219 472 A C 2.451 179.772 177.584 -0.438 0.000 1.182 472 A CA 1.339 52.805 52.037 -0.952 0.000 0.633 472 A CB -0.892 17.741 19.000 -0.613 0.000 0.819 472 A HN 0.239 nan 8.150 nan 0.000 0.448 473 L N -2.106 119.000 121.223 -0.195 0.000 2.109 473 L HA -0.141 4.199 4.340 0.001 0.000 0.207 473 L C 2.565 179.404 176.870 -0.052 0.000 1.086 473 L CA 1.072 55.892 54.840 -0.034 0.000 0.760 473 L CB -0.467 41.689 42.059 0.162 0.000 0.910 473 L HN 0.793 nan 8.230 nan 0.000 0.437 474 W N 1.396 122.539 121.300 -0.261 0.000 2.350 474 W HA -0.231 4.429 4.660 0.000 0.000 0.289 474 W C 2.092 178.388 176.519 -0.372 0.000 1.215 474 W CA 1.856 58.872 57.345 -0.548 0.000 1.236 474 W CB -0.020 29.184 29.460 -0.427 0.000 1.130 474 W HN 0.309 nan 8.180 nan 0.000 0.541 475 T N -2.511 111.837 114.554 -0.342 0.000 3.129 475 T HA 0.270 4.621 4.350 0.001 0.000 0.251 475 T C 1.452 175.977 174.700 -0.292 0.000 1.117 475 T CA 0.873 62.762 62.100 -0.351 0.000 1.034 475 T CB -0.202 68.567 68.868 -0.166 0.000 0.968 475 T HN 0.371 nan 8.240 nan 0.000 0.526 476 G N 0.127 108.749 108.800 -0.297 0.000 2.141 476 G HA2 -0.243 3.718 3.960 0.001 0.000 0.231 476 G HA3 -0.243 3.718 3.960 0.001 0.000 0.231 476 G C 0.235 174.995 174.900 -0.234 0.000 0.984 476 G CA -0.246 44.717 45.100 -0.229 0.000 0.660 476 G HN 0.850 nan 8.290 nan 0.000 0.525 477 C N 3.307 122.480 119.300 -0.212 0.000 2.325 477 C HA 0.701 5.161 4.460 0.001 0.000 0.347 477 C C -1.367 173.490 174.990 -0.222 0.000 1.263 477 C CA -1.994 56.896 59.018 -0.214 0.000 1.806 477 C CB 0.588 28.338 27.740 0.017 0.000 2.405 477 C HN 0.422 nan 8.230 nan 0.000 0.537 478 P HA 0.224 nan 4.420 nan 0.000 0.275 478 P C -1.039 176.241 177.300 -0.034 0.000 1.228 478 P CA 0.144 63.148 63.100 -0.159 0.000 0.786 478 P CB 0.870 32.462 31.700 -0.181 0.000 0.927 479 V N 4.018 123.914 119.914 -0.029 0.000 2.448 479 V HA 0.260 4.381 4.120 0.001 0.000 0.295 479 V C 0.199 176.330 176.094 0.062 0.000 1.025 479 V CA -0.728 61.589 62.300 0.028 0.000 0.859 479 V CB 1.445 33.200 31.823 -0.115 0.000 0.988 479 V HN 0.410 nan 8.190 nan 0.000 0.431 480 L N 4.811 126.113 121.223 0.133 0.000 2.295 480 L HA 0.850 5.190 4.340 0.001 0.000 0.285 480 L C -0.040 177.043 176.870 0.355 0.000 1.035 480 L CA 0.840 55.741 54.840 0.101 0.000 0.806 480 L CB 1.748 43.708 42.059 -0.165 0.000 1.214 480 L HN 0.816 nan 8.230 nan 0.000 0.426 481 T N 1.559 116.314 114.554 0.335 0.000 2.868 481 T HA 0.598 4.949 4.350 0.001 0.000 0.306 481 T C -1.046 173.833 174.700 0.298 0.000 1.224 481 T CA -0.129 62.185 62.100 0.357 0.000 1.012 481 T CB 1.377 70.371 68.868 0.210 0.000 1.221 481 T HN 0.694 nan 8.240 nan 0.000 0.499 482 T N 2.071 116.744 114.554 0.200 0.000 3.053 482 T HA 0.565 4.915 4.350 0.001 0.000 0.363 482 T C -2.868 171.903 174.700 0.117 0.000 1.239 482 T CA -1.771 60.396 62.100 0.111 0.000 1.071 482 T CB 0.494 69.340 68.868 -0.037 0.000 1.089 482 T HN 0.283 nan 8.240 nan 0.000 0.527 483 P HA 0.210 nan 4.420 nan 0.000 0.257 483 P C 0.948 178.315 177.300 0.112 0.000 1.189 483 P CA 0.371 63.578 63.100 0.179 0.000 0.780 483 P CB 0.255 32.113 31.700 0.264 0.000 0.772 484 G N 2.872 111.769 108.800 0.161 0.000 2.546 484 G HA2 0.094 4.055 3.960 0.001 0.000 0.239 484 G HA3 0.094 4.055 3.960 0.001 0.000 0.239 484 G C 0.223 175.162 174.900 0.066 0.000 1.476 484 G CA -0.317 44.888 45.100 0.174 0.000 1.064 484 G HN 0.439 nan 8.290 nan 0.000 0.561 485 E N -0.794 119.435 120.200 0.048 0.000 2.548 485 E HA 0.155 4.505 4.350 0.001 0.000 0.206 485 E C 0.122 176.702 176.600 -0.032 0.000 1.005 485 E CA -0.017 56.377 56.400 -0.010 0.000 0.951 485 E CB 0.796 30.479 29.700 -0.027 0.000 1.035 485 E HN 0.470 nan 8.360 nan 0.000 0.470 486 T N -3.244 111.298 114.554 -0.020 0.000 2.930 486 T HA 0.267 4.618 4.350 0.001 0.000 0.290 486 T C 0.536 175.279 174.700 0.072 0.000 1.052 486 T CA -0.827 61.274 62.100 0.001 0.000 1.017 486 T CB 1.275 70.098 68.868 -0.074 0.000 1.137 486 T HN -0.052 nan 8.240 nan 0.000 0.511 487 F N 1.695 121.655 119.950 0.016 0.000 2.065 487 F HA -0.005 4.523 4.527 0.001 0.000 0.298 487 F C 2.615 178.399 175.800 -0.026 0.000 1.112 487 F CA 2.223 60.239 58.000 0.027 0.000 1.212 487 F CB -0.746 38.312 39.000 0.098 0.000 0.975 487 F HN 0.756 nan 8.300 nan 0.000 0.476 488 A N -0.288 122.590 122.820 0.098 0.000 2.125 488 A HA 0.050 4.370 4.320 0.001 0.000 0.219 488 A C 1.988 179.537 177.584 -0.058 0.000 1.156 488 A CA 1.380 53.379 52.037 -0.064 0.000 0.671 488 A CB -1.264 17.505 19.000 -0.384 0.000 0.794 488 A HN 0.476 nan 8.150 nan 0.000 0.459 489 A N -1.215 121.567 122.820 -0.063 0.000 2.387 489 A HA 0.338 4.658 4.320 0.001 0.000 0.234 489 A C 1.449 179.066 177.584 0.056 0.000 1.253 489 A CA -0.087 51.940 52.037 -0.017 0.000 0.894 489 A CB 0.031 18.996 19.000 -0.060 0.000 0.963 489 A HN 0.428 nan 8.150 nan 0.000 0.508 490 R N -1.127 119.372 120.500 -0.002 0.000 2.600 490 R HA 0.221 4.562 4.340 0.001 0.000 0.392 490 R C 0.622 176.967 176.300 0.075 0.000 1.032 490 R CA 0.105 56.251 56.100 0.077 0.000 1.139 490 R CB 0.578 30.899 30.300 0.034 0.000 1.400 490 R HN 0.262 nan 8.270 nan 0.000 0.566 491 V N 0.566 120.488 119.914 0.014 0.000 2.302 491 V HA -0.124 3.996 4.120 0.001 0.000 0.243 491 V C 2.433 178.589 176.094 0.103 0.000 1.036 491 V CA 2.225 64.583 62.300 0.097 0.000 1.020 491 V CB -0.387 31.539 31.823 0.172 0.000 0.657 491 V HN 0.377 nan 8.190 nan 0.000 0.453 492 A N 0.830 123.696 122.820 0.076 0.000 1.917 492 A HA -0.166 4.155 4.320 0.001 0.000 0.219 492 A C 2.416 179.995 177.584 -0.008 0.000 1.182 492 A CA 2.198 54.250 52.037 0.026 0.000 0.633 492 A CB -1.396 17.631 19.000 0.045 0.000 0.819 492 A HN 0.547 nan 8.150 nan 0.000 0.448 493 G N -0.908 107.909 108.800 0.029 0.000 2.469 493 G HA2 -0.271 3.689 3.960 0.001 0.000 0.219 493 G HA3 -0.271 3.689 3.960 0.001 0.000 0.219 493 G C 1.940 176.500 174.900 -0.568 0.000 1.150 493 G CA 1.633 46.660 45.100 -0.122 0.000 0.763 493 G HN 0.614 nan 8.290 nan 0.000 0.561 494 S N -0.205 115.332 115.700 -0.272 0.000 2.399 494 S HA 0.027 4.498 4.470 0.001 0.000 0.231 494 S C 2.412 177.026 174.600 0.022 0.000 1.022 494 S CA 1.001 59.112 58.200 -0.147 0.000 0.983 494 S CB -0.214 63.192 63.200 0.343 0.000 0.803 494 S HN 0.356 nan 8.310 nan 0.000 0.480 495 L N 1.144 122.345 121.223 -0.038 0.000 2.044 495 L HA -0.039 4.301 4.340 0.001 0.000 0.205 495 L C 2.509 179.331 176.870 -0.081 0.000 1.075 495 L CA 1.010 55.819 54.840 -0.052 0.000 0.747 495 L CB -0.760 41.245 42.059 -0.089 0.000 0.903 495 L HN 0.274 nan 8.230 nan 0.000 0.435 496 N N -0.433 118.192 118.700 -0.124 0.000 2.084 496 N HA -0.231 4.510 4.740 0.001 0.000 0.190 496 N C 1.824 177.238 175.510 -0.160 0.000 1.030 496 N CA 1.497 54.475 53.050 -0.120 0.000 0.849 496 N CB -0.471 37.952 38.487 -0.106 0.000 1.012 496 N HN 0.395 nan 8.380 nan 0.000 0.423 497 H N 0.124 118.945 119.070 -0.415 0.000 2.290 497 H HA -0.055 4.501 4.556 0.001 0.000 0.298 497 H C 1.443 176.576 175.328 -0.325 0.000 1.087 497 H CA 2.076 57.844 56.048 -0.467 0.000 1.291 497 H CB -0.407 28.816 29.762 -0.899 0.000 1.369 497 H HN 0.396 nan 8.280 nan 0.000 0.492 498 H N -1.289 117.667 119.070 -0.189 0.000 2.559 498 H HA 0.015 4.571 4.556 0.001 0.000 0.273 498 H C 1.450 176.681 175.328 -0.162 0.000 1.000 498 H CA 0.473 56.416 56.048 -0.174 0.000 1.195 498 H CB 0.352 30.085 29.762 -0.048 0.000 1.368 498 H HN 0.249 nan 8.280 nan 0.000 0.592 499 L N -1.070 120.113 121.223 -0.065 0.000 2.416 499 L HA 0.222 4.562 4.340 0.001 0.000 0.216 499 L C 1.723 178.552 176.870 -0.067 0.000 1.098 499 L CA 1.432 56.248 54.840 -0.039 0.000 0.840 499 L CB -0.228 41.819 42.059 -0.020 0.000 0.981 499 L HN 0.458 nan 8.230 nan 0.000 0.462 500 G N -0.567 108.150 108.800 -0.138 0.000 2.144 500 G HA2 -0.233 3.727 3.960 0.001 0.000 0.218 500 G HA3 -0.233 3.727 3.960 0.001 0.000 0.218 500 G C 0.351 175.199 174.900 -0.086 0.000 0.988 500 G CA 0.144 45.165 45.100 -0.132 0.000 0.659 500 G HN 0.234 nan 8.290 nan 0.000 0.522 501 L N 1.456 122.632 121.223 -0.078 0.000 2.598 501 L HA 0.337 4.678 4.340 0.001 0.000 0.241 501 L C 0.937 177.782 176.870 -0.042 0.000 1.244 501 L CA -0.549 54.260 54.840 -0.051 0.000 1.198 501 L CB 0.419 42.451 42.059 -0.045 0.000 1.448 501 L HN 0.036 nan 8.230 nan 0.000 0.406 502 D N 0.829 121.213 120.400 -0.026 0.000 2.317 502 D HA -0.125 4.515 4.640 0.001 0.000 0.211 502 D C 1.716 178.030 176.300 0.024 0.000 0.966 502 D CA 0.702 54.710 54.000 0.013 0.000 0.876 502 D CB 0.439 41.265 40.800 0.044 0.000 0.927 502 D HN 0.581 nan 8.370 nan 0.000 0.519 503 E N 0.233 120.438 120.200 0.009 0.000 2.502 503 E HA -0.082 4.269 4.350 0.001 0.000 0.194 503 E C 1.121 177.725 176.600 0.008 0.000 1.062 503 E CA 0.179 56.585 56.400 0.011 0.000 0.867 503 E CB 0.032 29.734 29.700 0.003 0.000 0.888 503 E HN 0.133 nan 8.360 nan 0.000 0.510 504 M N 0.940 120.544 119.600 0.006 0.000 2.371 504 M HA 0.215 4.695 4.480 0.001 0.000 0.246 504 M C -0.425 175.902 176.300 0.044 0.000 1.103 504 M CA -0.135 55.170 55.300 0.008 0.000 1.010 504 M CB -0.262 32.333 32.600 -0.009 0.000 1.457 504 M HN -0.102 nan 8.290 nan 0.000 0.486 505 N N 1.474 120.206 118.700 0.055 0.000 2.511 505 N HA 0.427 5.167 4.740 0.001 0.000 0.249 505 N C -0.653 174.916 175.510 0.099 0.000 0.971 505 N CA -0.119 52.987 53.050 0.094 0.000 0.938 505 N CB 1.972 40.520 38.487 0.103 0.000 1.131 505 N HN 0.007 nan 8.380 nan 0.000 0.505 506 V N -0.870 119.116 119.914 0.119 0.000 2.815 506 V HA 0.766 4.886 4.120 0.001 0.000 0.314 506 V C 1.205 177.353 176.094 0.091 0.000 1.064 506 V CA -0.847 61.515 62.300 0.103 0.000 0.952 506 V CB 1.485 33.378 31.823 0.117 0.000 1.020 506 V HN 0.481 nan 8.190 nan 0.000 0.439 507 A N 2.146 125.003 122.820 0.062 0.000 1.972 507 A HA 0.124 4.445 4.320 0.001 0.000 0.219 507 A C 0.816 178.405 177.584 0.008 0.000 1.169 507 A CA 1.984 54.041 52.037 0.034 0.000 0.635 507 A CB -0.824 18.190 19.000 0.024 0.000 0.810 507 A HN 1.340 nan 8.150 nan 0.000 0.446 508 D N -4.522 115.889 120.400 0.019 0.000 2.865 508 D HA 0.149 4.789 4.640 0.001 0.000 0.343 508 D C -0.394 175.913 176.300 0.011 0.000 1.372 508 D CA -0.217 53.769 54.000 -0.025 0.000 0.862 508 D CB -0.480 40.300 40.800 -0.035 0.000 1.425 508 D HN -0.171 nan 8.370 nan 0.000 0.501 509 D N -0.105 120.270 120.400 -0.043 0.000 2.106 509 D HA -0.082 4.559 4.640 0.001 0.000 0.191 509 D C 1.994 178.351 176.300 0.095 0.000 0.997 509 D CA 2.836 56.827 54.000 -0.015 0.000 0.834 509 D CB -0.620 40.144 40.800 -0.060 0.000 0.956 509 D HN 0.517 nan 8.370 nan 0.000 0.448 510 A N 0.791 123.646 122.820 0.058 0.000 1.908 510 A HA -0.111 4.210 4.320 0.001 0.000 0.218 510 A C 2.298 179.935 177.584 0.088 0.000 1.181 510 A CA 2.594 54.670 52.037 0.066 0.000 0.627 510 A CB -0.870 18.151 19.000 0.035 0.000 0.818 510 A HN 0.256 nan 8.150 nan 0.000 0.445 511 A N -1.196 121.678 122.820 0.090 0.000 1.877 511 A HA -0.004 4.317 4.320 0.001 0.000 0.216 511 A C 1.995 179.652 177.584 0.122 0.000 1.186 511 A CA 1.531 53.620 52.037 0.086 0.000 0.620 511 A CB -0.788 18.256 19.000 0.074 0.000 0.822 511 A HN 0.630 nan 8.150 nan 0.000 0.443 512 F N 0.982 120.936 119.950 0.006 0.000 2.024 512 F HA -0.306 4.222 4.527 0.000 0.000 0.296 512 F C 2.358 178.169 175.800 0.017 0.000 1.137 512 F CA 2.651 60.660 58.000 0.015 0.000 1.200 512 F CB -0.669 38.339 39.000 0.014 0.000 0.954 512 F HN 0.054 nan 8.300 nan 0.000 0.497 513 V N 0.616 120.672 119.914 0.236 0.000 2.282 513 V HA -0.379 3.742 4.120 0.001 0.000 0.249 513 V C 2.690 178.786 176.094 0.003 0.000 1.057 513 V CA 2.079 64.439 62.300 0.100 0.000 1.032 513 V CB -1.854 30.055 31.823 0.143 0.000 0.645 513 V HN 0.591 nan 8.190 nan 0.000 0.447 514 A N 0.159 122.994 122.820 0.024 0.000 1.883 514 A HA -0.317 4.004 4.320 0.001 0.000 0.217 514 A C 2.244 179.810 177.584 -0.029 0.000 1.186 514 A CA 2.580 54.618 52.037 0.002 0.000 0.624 514 A CB -0.585 18.424 19.000 0.014 0.000 0.822 514 A HN 0.495 nan 8.150 nan 0.000 0.444 515 K N 0.164 120.536 120.400 -0.047 0.000 2.009 515 K HA -0.021 4.300 4.320 0.001 0.000 0.210 515 K C 2.014 178.547 176.600 -0.112 0.000 1.049 515 K CA 1.948 58.191 56.287 -0.074 0.000 0.929 515 K CB -0.750 31.701 32.500 -0.082 0.000 0.714 515 K HN 0.330 nan 8.250 nan 0.000 0.440 516 A N 0.010 122.712 122.820 -0.195 0.000 1.933 516 A HA -0.079 4.242 4.320 0.001 0.000 0.218 516 A C 2.381 179.904 177.584 -0.102 0.000 1.175 516 A CA 1.733 53.651 52.037 -0.198 0.000 0.628 516 A CB -0.706 18.092 19.000 -0.337 0.000 0.814 516 A HN 0.146 nan 8.150 nan 0.000 0.444 517 V N -0.223 119.647 119.914 -0.073 0.000 2.270 517 V HA -0.235 3.886 4.120 0.001 0.000 0.245 517 V C 3.086 179.161 176.094 -0.032 0.000 1.043 517 V CA 1.928 64.204 62.300 -0.039 0.000 1.014 517 V CB -1.149 30.661 31.823 -0.021 0.000 0.645 517 V HN 0.613 nan 8.190 nan 0.000 0.447 518 A N -0.493 122.308 122.820 -0.032 0.000 1.917 518 A HA -0.215 4.105 4.320 0.001 0.000 0.219 518 A C 2.224 179.795 177.584 -0.022 0.000 1.182 518 A CA 2.036 54.060 52.037 -0.023 0.000 0.633 518 A CB -0.566 18.422 19.000 -0.020 0.000 0.819 518 A HN 0.502 nan 8.150 nan 0.000 0.448 519 L N -1.061 120.144 121.223 -0.030 0.000 1.976 519 L HA -0.204 4.137 4.340 0.001 0.000 0.209 519 L C 3.190 180.053 176.870 -0.011 0.000 1.071 519 L CA 1.228 56.056 54.840 -0.020 0.000 0.746 519 L CB -0.681 41.361 42.059 -0.028 0.000 0.890 519 L HN 0.449 nan 8.230 nan 0.000 0.432 520 A N 0.169 122.978 122.820 -0.019 0.000 1.892 520 A HA -0.248 4.073 4.320 0.001 0.000 0.218 520 A C 2.411 179.988 177.584 -0.012 0.000 1.188 520 A CA 2.375 54.405 52.037 -0.012 0.000 0.631 520 A CB -0.822 18.167 19.000 -0.018 0.000 0.822 520 A HN 0.564 nan 8.150 nan 0.000 0.447 521 S N -1.270 114.422 115.700 -0.014 0.000 2.522 521 S HA -0.001 4.470 4.470 0.001 0.000 0.227 521 S C 0.452 175.045 174.600 -0.011 0.000 0.986 521 S CA 0.695 58.888 58.200 -0.013 0.000 0.929 521 S CB -0.084 63.108 63.200 -0.013 0.000 0.769 521 S HN 0.427 nan 8.310 nan 0.000 0.529 522 D N 2.699 123.093 120.400 -0.010 0.000 2.479 522 D HA 0.320 4.960 4.640 0.001 0.000 0.247 522 D C -1.656 174.641 176.300 -0.006 0.000 1.119 522 D CA -2.454 51.541 54.000 -0.008 0.000 0.922 522 D CB 1.518 42.314 40.800 -0.006 0.000 1.014 522 D HN 0.073 nan 8.370 nan 0.000 0.510 523 P HA -0.179 nan 4.420 nan 0.000 0.218 523 P C 1.197 178.490 177.300 -0.011 0.000 1.148 523 P CA 0.819 63.911 63.100 -0.013 0.000 0.822 523 P CB 0.382 32.071 31.700 -0.019 0.000 0.784 524 A N 0.977 123.792 122.820 -0.008 0.000 1.851 524 A HA -0.140 4.181 4.320 0.001 0.000 0.216 524 A C 2.548 180.133 177.584 0.001 0.000 1.195 524 A CA 2.693 54.727 52.037 -0.006 0.000 0.622 524 A CB -1.634 17.363 19.000 -0.005 0.000 0.831 524 A HN 0.250 nan 8.150 nan 0.000 0.444 525 A N -1.127 121.695 122.820 0.003 0.000 1.969 525 A HA 0.074 4.394 4.320 0.001 0.000 0.218 525 A C 2.121 179.718 177.584 0.022 0.000 1.169 525 A CA 1.575 53.617 52.037 0.008 0.000 0.635 525 A CB -0.542 18.460 19.000 0.003 0.000 0.810 525 A HN 0.625 nan 8.150 nan 0.000 0.445 526 L N -0.013 121.226 121.223 0.025 0.000 2.017 526 L HA -0.125 4.216 4.340 0.001 0.000 0.208 526 L C 2.476 179.398 176.870 0.088 0.000 1.073 526 L CA 2.812 57.687 54.840 0.058 0.000 0.745 526 L CB -0.868 41.212 42.059 0.036 0.000 0.894 526 L HN 0.385 nan 8.230 nan 0.000 0.432 527 T N -0.406 114.166 114.554 0.030 0.000 2.821 527 T HA -0.071 4.280 4.350 0.001 0.000 0.267 527 T C 1.932 176.660 174.700 0.047 0.000 1.046 527 T CA 1.007 63.116 62.100 0.016 0.000 1.139 527 T CB -0.567 68.288 68.868 -0.021 0.000 0.871 527 T HN 0.481 nan 8.240 nan 0.000 0.454 528 A N 1.550 124.391 122.820 0.034 0.000 1.908 528 A HA -0.042 4.279 4.320 0.001 0.000 0.218 528 A C 2.244 179.852 177.584 0.039 0.000 1.181 528 A CA 1.355 53.409 52.037 0.028 0.000 0.627 528 A CB -0.823 18.186 19.000 0.015 0.000 0.818 528 A HN 0.403 nan 8.150 nan 0.000 0.445 529 L N -0.761 120.495 121.223 0.055 0.000 2.027 529 L HA -0.161 4.180 4.340 0.001 0.000 0.206 529 L C 2.368 179.257 176.870 0.032 0.000 1.074 529 L CA 2.249 57.111 54.840 0.037 0.000 0.745 529 L CB -0.873 41.206 42.059 0.033 0.000 0.898 529 L HN 0.539 nan 8.230 nan 0.000 0.433 530 H N -0.628 118.431 119.070 -0.018 0.000 2.353 530 H HA -0.184 4.373 4.556 0.001 0.000 0.298 530 H C 2.054 177.361 175.328 -0.035 0.000 1.103 530 H CA 1.522 57.554 56.048 -0.026 0.000 1.293 530 H CB -0.062 29.686 29.762 -0.023 0.000 1.372 530 H HN 0.551 nan 8.280 nan 0.000 0.501 531 A N 1.166 124.040 122.820 0.090 0.000 1.877 531 A HA -0.227 4.094 4.320 0.001 0.000 0.216 531 A C 2.437 180.023 177.584 0.003 0.000 1.186 531 A CA 1.842 53.897 52.037 0.030 0.000 0.620 531 A CB -0.578 18.434 19.000 0.021 0.000 0.822 531 A HN 0.347 nan 8.150 nan 0.000 0.443 532 R N -0.405 120.096 120.500 0.002 0.000 2.096 532 R HA -0.077 4.264 4.340 0.001 0.000 0.235 532 R C 1.823 178.109 176.300 -0.023 0.000 1.127 532 R CA 1.626 57.720 56.100 -0.010 0.000 0.968 532 R CB -0.544 29.751 30.300 -0.009 0.000 0.861 532 R HN 0.267 nan 8.270 nan 0.000 0.440 533 V N 1.275 121.162 119.914 -0.044 0.000 2.255 533 V HA -0.294 3.827 4.120 0.001 0.000 0.247 533 V C 1.895 177.956 176.094 -0.055 0.000 1.051 533 V CA 2.327 64.589 62.300 -0.063 0.000 1.018 533 V CB -0.746 30.995 31.823 -0.137 0.000 0.641 533 V HN 0.441 nan 8.190 nan 0.000 0.445 534 D N -0.090 120.269 120.400 -0.067 0.000 2.126 534 D HA -0.187 4.453 4.640 0.001 0.000 0.190 534 D C 2.020 178.290 176.300 -0.049 0.000 1.001 534 D CA 1.873 55.825 54.000 -0.081 0.000 0.841 534 D CB -0.234 40.523 40.800 -0.072 0.000 0.949 534 D HN 0.204 nan 8.370 nan 0.000 0.446 535 V N 0.219 120.119 119.914 -0.025 0.000 2.252 535 V HA -0.268 3.852 4.120 0.001 0.000 0.249 535 V C 2.621 178.723 176.094 0.013 0.000 1.056 535 V CA 1.661 63.956 62.300 -0.007 0.000 1.022 535 V CB -0.592 31.229 31.823 -0.004 0.000 0.641 535 V HN 0.296 nan 8.190 nan 0.000 0.445 536 L N -0.524 120.711 121.223 0.019 0.000 2.046 536 L HA -0.180 4.161 4.340 0.001 0.000 0.208 536 L C 2.705 179.642 176.870 0.112 0.000 1.077 536 L CA 1.873 56.742 54.840 0.049 0.000 0.747 536 L CB -0.768 41.312 42.059 0.034 0.000 0.896 536 L HN 0.258 nan 8.230 nan 0.000 0.432 537 R N 0.528 121.095 120.500 0.111 0.000 2.159 537 R HA -0.284 4.057 4.340 0.001 0.000 0.249 537 R C 2.491 178.914 176.300 0.206 0.000 1.136 537 R CA 2.457 58.665 56.100 0.180 0.000 0.951 537 R CB -0.242 30.012 30.300 -0.076 0.000 0.876 537 R HN 0.285 nan 8.270 nan 0.000 0.440 538 R N -0.776 119.781 120.500 0.096 0.000 2.112 538 R HA 0.048 4.388 4.340 0.001 0.000 0.216 538 R C 2.119 178.503 176.300 0.140 0.000 1.080 538 R CA 0.924 57.094 56.100 0.116 0.000 0.996 538 R CB -0.090 30.234 30.300 0.041 0.000 0.902 538 R HN 0.301 nan 8.270 nan 0.000 0.449 539 A N 0.893 123.772 122.820 0.098 0.000 1.873 539 A HA -0.069 4.251 4.320 0.001 0.000 0.215 539 A C 1.390 179.022 177.584 0.079 0.000 1.186 539 A CA 1.268 53.350 52.037 0.075 0.000 0.616 539 A CB -0.546 18.479 19.000 0.043 0.000 0.823 539 A HN 0.547 nan 8.150 nan 0.000 0.442 540 S N -1.538 114.220 115.700 0.098 0.000 2.641 540 S HA 0.434 4.905 4.470 0.001 0.000 0.261 540 S C 1.231 175.885 174.600 0.091 0.000 1.257 540 S CA 0.089 58.331 58.200 0.070 0.000 0.983 540 S CB 0.967 64.202 63.200 0.058 0.000 0.990 540 S HN 0.634 nan 8.310 nan 0.000 0.572 541 G N -0.656 108.173 108.800 0.048 0.000 2.838 541 G HA2 0.093 4.054 3.960 0.001 0.000 0.210 541 G HA3 0.093 4.054 3.960 0.001 0.000 0.210 541 G C 1.078 176.038 174.900 0.100 0.000 1.153 541 G CA 0.290 45.424 45.100 0.057 0.000 0.778 541 G HN 0.569 nan 8.290 nan 0.000 0.539 542 V N -0.023 119.900 119.914 0.016 0.000 2.594 542 V HA -0.012 4.109 4.120 0.001 0.000 0.253 542 V C 1.425 177.336 176.094 -0.304 0.000 1.069 542 V CA 1.235 63.437 62.300 -0.163 0.000 1.082 542 V CB -0.458 31.176 31.823 -0.314 0.000 0.680 542 V HN 0.422 nan 8.190 nan 0.000 0.469 543 F N -1.434 118.600 119.950 0.141 0.000 2.855 543 F HA 0.354 4.881 4.527 0.001 0.000 0.317 543 F C 0.705 176.589 175.800 0.140 0.000 1.169 543 F CA -0.239 57.833 58.000 0.119 0.000 1.299 543 F CB 0.449 39.611 39.000 0.272 0.000 0.962 543 F HN 0.114 nan 8.300 nan 0.000 0.506 544 H N 1.785 120.962 119.070 0.178 0.000 2.423 544 H HA 0.229 4.786 4.556 0.001 0.000 0.237 544 H C 1.044 176.438 175.328 0.111 0.000 1.391 544 H CA -0.229 55.901 56.048 0.136 0.000 1.453 544 H CB 0.590 30.426 29.762 0.124 0.000 1.484 544 H HN 0.141 nan 8.280 nan 0.000 0.505 545 M N 1.263 120.883 119.600 0.034 0.000 2.446 545 M HA -0.105 4.375 4.480 0.001 0.000 0.263 545 M C 0.843 177.196 176.300 0.088 0.000 1.066 545 M CA 0.752 56.067 55.300 0.026 0.000 1.087 545 M CB -0.455 32.061 32.600 -0.140 0.000 1.406 545 M HN 0.405 nan 8.290 nan 0.000 0.459 546 D N 0.433 120.859 120.400 0.043 0.000 2.097 546 D HA -0.079 4.561 4.640 0.001 0.000 0.195 546 D C 2.129 178.567 176.300 0.231 0.000 0.989 546 D CA 1.645 55.708 54.000 0.105 0.000 0.827 546 D CB -0.524 40.306 40.800 0.049 0.000 0.966 546 D HN 0.426 nan 8.370 nan 0.000 0.456 547 G N -0.406 108.638 108.800 0.408 0.000 2.418 547 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 547 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 547 G C 1.519 176.533 174.900 0.189 0.000 1.158 547 G CA 0.197 45.452 45.100 0.257 0.000 0.771 547 G HN 0.248 nan 8.290 nan 0.000 0.545 548 F N 1.998 122.000 119.950 0.086 0.000 2.102 548 F HA 0.018 4.546 4.527 0.002 0.000 0.298 548 F C 2.936 178.767 175.800 0.052 0.000 1.105 548 F CA 1.382 59.403 58.000 0.036 0.000 1.239 548 F CB 0.010 38.995 39.000 -0.024 0.000 0.991 548 F HN 0.240 nan 8.300 nan 0.000 0.474 549 A N 0.077 123.093 122.820 0.326 0.000 1.883 549 A HA -0.239 4.081 4.320 0.001 0.000 0.217 549 A C 1.968 179.676 177.584 0.207 0.000 1.186 549 A CA 2.111 54.292 52.037 0.240 0.000 0.624 549 A CB -1.055 18.027 19.000 0.136 0.000 0.822 549 A HN 0.418 nan 8.150 nan 0.000 0.444 550 D N -0.148 120.340 120.400 0.146 0.000 2.103 550 D HA -0.183 4.458 4.640 0.001 0.000 0.190 550 D C 1.677 178.016 176.300 0.066 0.000 0.997 550 D CA 1.788 55.847 54.000 0.098 0.000 0.833 550 D CB -0.584 40.264 40.800 0.079 0.000 0.961 550 D HN 0.504 nan 8.370 nan 0.000 0.447 551 D N -0.372 120.048 120.400 0.033 0.000 2.092 551 D HA -0.193 4.448 4.640 0.001 0.000 0.193 551 D C 1.989 178.279 176.300 -0.017 0.000 0.994 551 D CA 0.715 54.695 54.000 -0.034 0.000 0.828 551 D CB -0.467 40.253 40.800 -0.132 0.000 0.963 551 D HN 0.119 nan 8.370 nan 0.000 0.450 552 F N 0.773 120.639 119.950 -0.140 0.000 2.095 552 F HA -0.026 4.502 4.527 0.002 0.000 0.298 552 F C 2.280 178.044 175.800 -0.061 0.000 1.104 552 F CA 2.327 60.250 58.000 -0.128 0.000 1.232 552 F CB -0.703 38.268 39.000 -0.048 0.000 0.987 552 F HN 0.048 nan 8.300 nan 0.000 0.475 553 G N -0.561 108.272 108.800 0.054 0.000 2.422 553 G HA2 -0.199 3.761 3.960 0.001 0.000 0.218 553 G HA3 -0.199 3.761 3.960 0.001 0.000 0.218 553 G C 1.805 176.661 174.900 -0.074 0.000 1.146 553 G CA 0.784 45.868 45.100 -0.027 0.000 0.769 553 G HN 0.627 nan 8.290 nan 0.000 0.547 554 A N 0.586 123.384 122.820 -0.038 0.000 1.902 554 A HA 0.069 4.390 4.320 0.001 0.000 0.217 554 A C 2.369 179.908 177.584 -0.073 0.000 1.181 554 A CA 1.488 53.509 52.037 -0.028 0.000 0.623 554 A CB -0.432 18.562 19.000 -0.009 0.000 0.818 554 A HN 0.470 nan 8.150 nan 0.000 0.443 555 L N -0.575 120.565 121.223 -0.139 0.000 2.141 555 L HA -0.101 4.240 4.340 0.001 0.000 0.209 555 L C 2.226 178.966 176.870 -0.217 0.000 1.094 555 L CA 1.232 55.969 54.840 -0.172 0.000 0.763 555 L CB -0.192 41.742 42.059 -0.208 0.000 0.908 555 L HN 0.407 nan 8.230 nan 0.000 0.437 556 L N -0.705 120.339 121.223 -0.298 0.000 2.056 556 L HA -0.190 4.151 4.340 0.001 0.000 0.207 556 L C 2.735 179.511 176.870 -0.156 0.000 1.078 556 L CA 1.194 55.871 54.840 -0.273 0.000 0.749 556 L CB -0.644 41.211 42.059 -0.340 0.000 0.901 556 L HN 0.372 nan 8.230 nan 0.000 0.433 557 Q N 0.008 119.762 119.800 -0.076 0.000 2.050 557 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 557 Q C 2.477 178.543 176.000 0.110 0.000 0.980 557 Q CA 1.639 57.487 55.803 0.074 0.000 0.840 557 Q CB -0.319 28.512 28.738 0.155 0.000 0.898 557 Q HN 0.555 nan 8.270 nan 0.000 0.424 558 A N 1.436 124.275 122.820 0.032 0.000 1.865 558 A HA -0.212 4.109 4.320 0.001 0.000 0.217 558 A C 2.146 179.737 177.584 0.010 0.000 1.191 558 A CA 1.502 53.554 52.037 0.025 0.000 0.623 558 A CB -0.886 18.108 19.000 -0.011 0.000 0.826 558 A HN 0.347 nan 8.150 nan 0.000 0.444 559 L N -0.151 121.032 121.223 -0.067 0.000 2.051 559 L HA -0.192 4.149 4.340 0.001 0.000 0.214 559 L C 2.636 179.499 176.870 -0.012 0.000 1.076 559 L CA 2.540 57.307 54.840 -0.121 0.000 0.758 559 L CB -0.745 41.144 42.059 -0.284 0.000 0.890 559 L HN 0.372 nan 8.230 nan 0.000 0.433 560 A N -0.747 122.074 122.820 0.003 0.000 1.930 560 A HA -0.187 4.133 4.320 0.001 0.000 0.217 560 A C 2.412 180.149 177.584 0.255 0.000 1.175 560 A CA 1.641 53.732 52.037 0.089 0.000 0.627 560 A CB -0.504 18.480 19.000 -0.026 0.000 0.815 560 A HN 0.516 nan 8.150 nan 0.000 0.443 561 R N -0.957 119.695 120.500 0.253 0.000 2.073 561 R HA -0.077 4.263 4.340 0.001 0.000 0.234 561 R C 2.379 178.750 176.300 0.119 0.000 1.134 561 R CA 1.327 57.543 56.100 0.194 0.000 0.952 561 R CB -0.328 30.050 30.300 0.131 0.000 0.850 561 R HN 0.447 nan 8.270 nan 0.000 0.433 562 R N 0.148 120.703 120.500 0.092 0.000 2.371 562 R HA -0.152 4.189 4.340 0.001 0.000 0.226 562 R C 0.597 176.895 176.300 -0.004 0.000 1.132 562 R CA 1.218 57.341 56.100 0.038 0.000 1.027 562 R CB -0.026 30.295 30.300 0.035 0.000 0.848 562 R HN 0.478 nan 8.270 nan 0.000 0.479 563 H N -2.442 116.653 119.070 0.041 0.000 2.893 563 H HA 0.156 4.713 4.556 0.001 0.000 0.270 563 H C 0.786 176.158 175.328 0.072 0.000 1.095 563 H CA 0.712 56.790 56.048 0.050 0.000 1.186 563 H CB 1.610 31.398 29.762 0.043 0.000 1.562 563 H HN 0.483 nan 8.280 nan 0.000 0.536 564 G N 0.814 109.711 108.800 0.162 0.000 2.229 564 G HA2 -0.223 3.738 3.960 0.001 0.000 0.189 564 G HA3 -0.223 3.738 3.960 0.001 0.000 0.189 564 G C -0.185 174.823 174.900 0.181 0.000 1.000 564 G CA -0.222 44.953 45.100 0.126 0.000 0.663 564 G HN 0.276 nan 8.290 nan 0.000 0.493 565 W N 2.063 123.382 121.300 0.033 0.000 2.264 565 W HA 0.559 5.220 4.660 0.001 0.000 0.331 565 W C 0.745 177.271 176.519 0.012 0.000 1.364 565 W CA 0.136 57.493 57.345 0.021 0.000 1.253 565 W CB 0.292 29.764 29.460 0.020 0.000 1.215 565 W HN 0.055 nan 8.180 nan 0.000 0.561 566 L N 8.368 129.308 121.223 -0.472 0.000 2.984 566 L HA 0.270 4.610 4.340 0.001 0.000 0.246 566 L C 1.423 177.798 176.870 -0.825 0.000 1.268 566 L CA 0.187 54.734 54.840 -0.488 0.000 1.054 566 L CB -1.082 40.828 42.059 -0.248 0.000 1.393 566 L HN 0.905 nan 8.230 nan 0.000 0.532 567 G N 0.896 108.624 108.800 -1.786 0.000 2.575 567 G HA2 -0.289 3.672 3.960 0.001 0.000 0.267 567 G HA3 -0.289 3.672 3.960 0.001 0.000 0.267 567 G C 0.248 174.613 174.900 -0.892 0.000 1.264 567 G CA -0.131 43.867 45.100 -1.835 0.000 0.935 567 G HN 0.298 nan 8.290 nan 0.000 0.568 568 I N 0.000 120.337 120.570 -0.388 0.000 2.984 568 I HA 0.000 4.171 4.170 0.001 0.000 0.288 568 I CA 0.000 61.231 61.300 -0.114 0.000 1.566 568 I CB 0.000 37.928 38.000 -0.119 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494