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 1rt6_1_B DATA FIRST_RESID 6 DATA SEQUENCE ETVPVKLKPG MDGPKVKQWP LTEEKIKALV EICTEMEKEG KISKIGPENP DATA SEQUENCE YNTPVFAIKK KDSTKWRKLV DFRELNKRTQ DFWXXXXGIP HPAGLKKKKS DATA SEQUENCE VTVLDVGDAY FSVPLDEDFR KYTAFTIPSI NNETPGIRYQ YNVLPQGWKG DATA SEQUENCE SPAIFQSSMT KILEPFRKQN PDIVIYQYMD DLYVGSDLEI GQHRTKIEEL DATA SEQUENCE RQHLLRWGLT XXXXXXXXXX XXXXXXXELH PDKWTVQPIV LPEKDSWTVN DATA SEQUENCE DIQKLVGKLN WASQIYPGIK VRQLCKLLRG TKALTEVIPL TEEAELELAE DATA SEQUENCE NREILKEPVH GVYYDPSKDL IAEIQKQGQG QWTYQIYQEP FKNLKTGKYA DATA SEQUENCE RMRGAHTNDV KQLTEAVQKI TTESIVIWGK TPKFKLPIQK ETWETWWTEY DATA SEQUENCE WQATWIPEWE FVNTPPLVKL WYQLEKEPIV GAETF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.615 176.600 0.025 0.000 1.382 6 E CA 0.000 56.413 56.400 0.021 0.000 0.976 6 E CB 0.000 29.710 29.700 0.016 0.000 0.812 7 T N -1.932 112.641 114.554 0.032 0.000 2.797 7 T HA 0.572 4.923 4.350 0.001 0.000 0.279 7 T C -0.079 174.642 174.700 0.036 0.000 0.991 7 T CA -0.757 61.367 62.100 0.040 0.000 0.979 7 T CB 1.361 70.262 68.868 0.056 0.000 0.943 7 T HN 0.228 nan 8.240 nan 0.000 0.444 8 V N 5.168 125.099 119.914 0.028 0.000 2.498 8 V HA 0.457 4.578 4.120 0.001 0.000 0.279 8 V C -2.133 173.993 176.094 0.053 0.000 1.048 8 V CA -2.453 59.863 62.300 0.026 0.000 0.967 8 V CB 0.814 32.632 31.823 -0.008 0.000 0.988 8 V HN 0.858 nan 8.190 nan 0.000 0.473 9 P HA 0.086 nan 4.420 nan 0.000 0.262 9 P C -0.268 177.096 177.300 0.108 0.000 1.455 9 P CA 0.253 63.407 63.100 0.090 0.000 1.217 9 P CB 0.184 31.935 31.700 0.084 0.000 1.625 10 V N 4.364 124.333 119.914 0.093 0.000 2.953 10 V HA 0.330 4.451 4.120 0.001 0.000 0.304 10 V C 0.900 177.064 176.094 0.115 0.000 1.073 10 V CA -0.037 62.295 62.300 0.054 0.000 1.064 10 V CB 1.200 32.926 31.823 -0.162 0.000 1.047 10 V HN 0.435 nan 8.190 nan 0.000 0.478 11 K N 1.746 122.220 120.400 0.123 0.000 2.250 11 K HA 0.658 4.979 4.320 0.001 0.000 0.261 11 K C -1.380 175.358 176.600 0.231 0.000 1.047 11 K CA -0.891 55.535 56.287 0.233 0.000 0.884 11 K CB 2.055 34.647 32.500 0.153 0.000 1.476 11 K HN 0.326 nan 8.250 nan 0.000 0.445 12 L N 1.424 122.743 121.223 0.160 0.000 2.334 12 L HA 0.437 4.778 4.340 0.001 0.000 0.270 12 L C 0.052 176.919 176.870 -0.005 0.000 1.018 12 L CA -0.948 53.925 54.840 0.056 0.000 0.811 12 L CB 1.352 43.356 42.059 -0.091 0.000 1.271 12 L HN 0.371 nan 8.230 nan 0.000 0.443 13 K N 1.634 122.006 120.400 -0.047 0.000 2.436 13 K HA 0.098 4.419 4.320 0.001 0.000 0.275 13 K C -2.286 174.287 176.600 -0.045 0.000 0.999 13 K CA -1.290 54.953 56.287 -0.072 0.000 0.980 13 K CB -0.014 32.429 32.500 -0.095 0.000 0.919 13 K HN 0.238 nan 8.250 nan 0.000 0.484 14 P HA -0.151 nan 4.420 nan 0.000 0.249 14 P C 0.275 177.566 177.300 -0.015 0.000 1.140 14 P CA 1.317 64.408 63.100 -0.015 0.000 0.803 14 P CB -0.001 31.689 31.700 -0.017 0.000 0.745 15 G N 2.237 111.034 108.800 -0.004 0.000 2.137 15 G HA2 -0.222 3.739 3.960 0.001 0.000 0.237 15 G HA3 -0.222 3.739 3.960 0.001 0.000 0.237 15 G C 0.064 174.957 174.900 -0.013 0.000 1.002 15 G CA -0.503 44.596 45.100 -0.002 0.000 0.702 15 G HN 0.363 nan 8.290 nan 0.000 0.515 16 M N -0.030 119.549 119.600 -0.034 0.000 2.528 16 M HA 0.630 5.111 4.480 0.001 0.000 0.318 16 M C -0.089 176.157 176.300 -0.091 0.000 1.195 16 M CA -0.814 54.452 55.300 -0.056 0.000 1.000 16 M CB 1.473 34.029 32.600 -0.073 0.000 1.615 16 M HN 0.200 nan 8.290 nan 0.000 0.469 17 D N -0.176 120.169 120.400 -0.093 0.000 2.450 17 D HA 0.644 5.285 4.640 0.001 0.000 0.238 17 D C -0.296 175.855 176.300 -0.247 0.000 1.020 17 D CA -0.157 53.776 54.000 -0.111 0.000 1.010 17 D CB 1.731 42.567 40.800 0.060 0.000 1.342 17 D HN 0.688 nan 8.370 nan 0.000 0.530 18 G N 0.791 109.338 108.800 -0.422 0.000 2.527 18 G HA2 0.381 4.341 3.960 0.001 0.000 0.248 18 G HA3 0.381 4.341 3.960 0.001 0.000 0.248 18 G C -2.188 172.704 174.900 -0.014 0.000 1.231 18 G CA -0.887 43.884 45.100 -0.548 0.000 0.838 18 G HN 0.411 nan 8.290 nan 0.000 0.570 19 P HA 0.102 nan 4.420 nan 0.000 0.266 19 P C -0.535 176.895 177.300 0.217 0.000 1.193 19 P CA 0.251 63.422 63.100 0.119 0.000 0.770 19 P CB 0.887 32.655 31.700 0.114 0.000 0.836 20 K N 1.204 121.704 120.400 0.167 0.000 3.165 20 K HA 0.230 4.550 4.320 0.001 0.000 0.206 20 K C -0.509 176.152 176.600 0.102 0.000 1.123 20 K CA -0.424 55.949 56.287 0.143 0.000 0.978 20 K CB 0.902 33.474 32.500 0.120 0.000 0.749 20 K HN 0.216 nan 8.250 nan 0.000 0.454 21 V N 2.679 122.657 119.914 0.107 0.000 2.555 21 V HA 0.018 4.139 4.120 0.001 0.000 0.286 21 V C 0.468 176.611 176.094 0.082 0.000 1.044 21 V CA -0.425 61.939 62.300 0.107 0.000 1.026 21 V CB 0.231 32.130 31.823 0.126 0.000 0.981 21 V HN 0.387 nan 8.190 nan 0.000 0.480 22 K N 3.565 124.019 120.400 0.091 0.000 2.237 22 K HA 0.419 4.740 4.320 0.001 0.000 0.270 22 K C -0.176 176.457 176.600 0.056 0.000 1.015 22 K CA -0.587 55.739 56.287 0.065 0.000 0.949 22 K CB 0.695 33.238 32.500 0.071 0.000 0.976 22 K HN 0.522 nan 8.250 nan 0.000 0.472 23 Q N 3.096 122.886 119.800 -0.017 0.000 2.293 23 Q HA 0.154 4.495 4.340 0.001 0.000 0.263 23 Q C -1.379 174.607 176.000 -0.023 0.000 1.002 23 Q CA -0.212 55.514 55.803 -0.129 0.000 0.910 23 Q CB 0.285 28.940 28.738 -0.138 0.000 1.185 23 Q HN 0.639 nan 8.270 nan 0.000 0.401 24 W N 4.715 126.011 121.300 -0.007 0.000 2.161 24 W HA 0.577 5.238 4.660 0.002 0.000 0.344 24 W C -2.242 174.233 176.519 -0.074 0.000 1.262 24 W CA -2.364 54.951 57.345 -0.051 0.000 1.270 24 W CB -0.544 28.866 29.460 -0.083 0.000 1.126 24 W HN 0.512 nan 8.180 nan 0.000 0.598 25 P HA 0.177 nan 4.420 nan 0.000 0.271 25 P C -0.881 176.461 177.300 0.071 0.000 1.218 25 P CA 0.092 63.226 63.100 0.057 0.000 0.780 25 P CB 1.302 33.011 31.700 0.014 0.000 0.901 26 L N 1.253 122.475 121.223 -0.003 0.000 2.323 26 L HA 0.464 4.805 4.340 0.001 0.000 0.265 26 L C 1.112 177.948 176.870 -0.057 0.000 1.012 26 L CA -0.895 53.930 54.840 -0.024 0.000 0.820 26 L CB 1.835 43.860 42.059 -0.057 0.000 1.334 26 L HN 0.367 nan 8.230 nan 0.000 0.427 27 T N -3.401 111.109 114.554 -0.074 0.000 2.898 27 T HA 0.067 4.418 4.350 0.001 0.000 0.301 27 T C 0.857 175.491 174.700 -0.110 0.000 1.049 27 T CA -0.372 61.683 62.100 -0.075 0.000 1.095 27 T CB 1.420 70.251 68.868 -0.061 0.000 0.976 27 T HN 0.792 nan 8.240 nan 0.000 0.539 28 E N 1.014 121.161 120.200 -0.088 0.000 2.033 28 E HA -0.301 4.050 4.350 0.001 0.000 0.199 28 E C 2.123 178.629 176.600 -0.156 0.000 1.011 28 E CA 1.902 58.243 56.400 -0.098 0.000 0.815 28 E CB -0.203 29.459 29.700 -0.063 0.000 0.755 28 E HN 0.935 nan 8.360 nan 0.000 0.451 29 E N 0.759 120.859 120.200 -0.166 0.000 2.108 29 E HA -0.329 4.021 4.350 0.001 0.000 0.203 29 E C 2.008 178.292 176.600 -0.527 0.000 1.022 29 E CA 1.840 58.086 56.400 -0.257 0.000 0.823 29 E CB -0.317 29.290 29.700 -0.156 0.000 0.744 29 E HN 0.177 nan 8.360 nan 0.000 0.456 30 K N 0.292 120.353 120.400 -0.565 0.000 2.097 30 K HA -0.058 4.263 4.320 0.001 0.000 0.206 30 K C 2.268 178.634 176.600 -0.390 0.000 1.049 30 K CA 1.731 57.623 56.287 -0.657 0.000 0.933 30 K CB -0.143 32.105 32.500 -0.419 0.000 0.717 30 K HN 0.267 nan 8.250 nan 0.000 0.442 31 I N 0.676 121.096 120.570 -0.251 0.000 2.353 31 I HA -0.247 3.924 4.170 0.001 0.000 0.248 31 I C 2.087 178.113 176.117 -0.152 0.000 1.119 31 I CA 1.095 62.299 61.300 -0.161 0.000 1.417 31 I CB -0.170 37.763 38.000 -0.112 0.000 1.078 31 I HN 0.066 nan 8.210 nan 0.000 0.421 32 K N 1.196 121.489 120.400 -0.179 0.000 2.009 32 K HA -0.174 4.147 4.320 0.001 0.000 0.210 32 K C 2.343 178.855 176.600 -0.146 0.000 1.049 32 K CA 1.730 57.934 56.287 -0.139 0.000 0.929 32 K CB -0.327 32.096 32.500 -0.130 0.000 0.714 32 K HN 0.310 nan 8.250 nan 0.000 0.440 33 A N 1.350 124.019 122.820 -0.250 0.000 1.883 33 A HA -0.180 4.141 4.320 0.001 0.000 0.217 33 A C 2.124 179.636 177.584 -0.121 0.000 1.186 33 A CA 1.436 53.348 52.037 -0.207 0.000 0.624 33 A CB -0.804 17.947 19.000 -0.416 0.000 0.822 33 A HN 0.210 nan 8.150 nan 0.000 0.444 34 L N -0.524 120.616 121.223 -0.139 0.000 2.079 34 L HA -0.202 4.138 4.340 0.001 0.000 0.210 34 L C 2.549 179.418 176.870 -0.002 0.000 1.081 34 L CA 1.281 56.082 54.840 -0.066 0.000 0.752 34 L CB -0.677 41.349 42.059 -0.055 0.000 0.896 34 L HN 0.279 nan 8.230 nan 0.000 0.433 35 V N -0.317 119.591 119.914 -0.009 0.000 2.270 35 V HA -0.257 3.864 4.120 0.001 0.000 0.245 35 V C 2.387 178.492 176.094 0.017 0.000 1.043 35 V CA 1.720 64.037 62.300 0.028 0.000 1.014 35 V CB -0.450 31.372 31.823 -0.002 0.000 0.645 35 V HN 0.434 nan 8.190 nan 0.000 0.447 36 E N -0.026 120.167 120.200 -0.013 0.000 2.033 36 E HA -0.250 4.101 4.350 0.001 0.000 0.199 36 E C 2.216 178.805 176.600 -0.019 0.000 1.011 36 E CA 1.950 58.343 56.400 -0.013 0.000 0.815 36 E CB -0.288 29.403 29.700 -0.015 0.000 0.755 36 E HN 0.522 nan 8.360 nan 0.000 0.451 37 I N 0.790 121.343 120.570 -0.028 0.000 2.118 37 I HA -0.372 3.798 4.170 0.001 0.000 0.241 37 I C 2.616 178.688 176.117 -0.075 0.000 1.070 37 I CA 1.048 62.319 61.300 -0.049 0.000 1.327 37 I CB -0.328 37.642 38.000 -0.050 0.000 1.034 37 I HN 0.288 nan 8.210 nan 0.000 0.405 38 C N 0.397 119.665 119.300 -0.054 0.000 2.435 38 C HA -0.138 4.323 4.460 0.001 0.000 0.279 38 C C 3.111 178.014 174.990 -0.145 0.000 1.321 38 C CA 1.508 60.448 59.018 -0.130 0.000 1.752 38 C CB -1.353 26.403 27.740 0.027 0.000 1.959 38 C HN 0.653 nan 8.230 nan 0.000 0.500 39 T N -0.679 113.868 114.554 -0.012 0.000 2.708 39 T HA -0.211 4.139 4.350 0.001 0.000 0.266 39 T C 1.697 176.371 174.700 -0.043 0.000 1.037 39 T CA 1.592 63.699 62.100 0.010 0.000 1.146 39 T CB -0.405 68.479 68.868 0.027 0.000 0.865 39 T HN 0.473 nan 8.240 nan 0.000 0.435 40 E N 1.297 121.464 120.200 -0.055 0.000 2.033 40 E HA -0.140 4.211 4.350 0.001 0.000 0.199 40 E C 2.262 178.809 176.600 -0.089 0.000 1.011 40 E CA 1.673 58.034 56.400 -0.064 0.000 0.815 40 E CB -0.427 29.232 29.700 -0.069 0.000 0.755 40 E HN 0.637 nan 8.360 nan 0.000 0.451 41 M N 0.229 119.751 119.600 -0.130 0.000 2.213 41 M HA -0.159 4.321 4.480 0.001 0.000 0.263 41 M C 2.298 178.509 176.300 -0.148 0.000 1.062 41 M CA 1.295 56.504 55.300 -0.150 0.000 1.105 41 M CB -0.295 32.180 32.600 -0.207 0.000 1.385 41 M HN 0.104 nan 8.290 nan 0.000 0.417 42 E N 0.888 120.983 120.200 -0.176 0.000 2.077 42 E HA -0.215 4.136 4.350 0.001 0.000 0.193 42 E C 1.767 178.339 176.600 -0.048 0.000 0.989 42 E CA 1.116 57.441 56.400 -0.125 0.000 0.800 42 E CB 0.223 29.886 29.700 -0.063 0.000 0.746 42 E HN 0.279 nan 8.360 nan 0.000 0.452 43 K N 0.928 121.304 120.400 -0.039 0.000 2.025 43 K HA -0.117 4.203 4.320 0.001 0.000 0.207 43 K C 1.902 178.496 176.600 -0.010 0.000 1.049 43 K CA 1.322 57.599 56.287 -0.017 0.000 0.933 43 K CB -0.420 32.070 32.500 -0.017 0.000 0.714 43 K HN 0.307 nan 8.250 nan 0.000 0.438 44 E N -0.110 120.078 120.200 -0.020 0.000 2.515 44 E HA -0.031 4.320 4.350 0.001 0.000 0.201 44 E C 0.742 177.367 176.600 0.042 0.000 1.071 44 E CA 0.452 56.856 56.400 0.007 0.000 0.880 44 E CB -0.151 29.537 29.700 -0.021 0.000 0.828 44 E HN 0.508 nan 8.360 nan 0.000 0.540 45 G N 1.477 110.288 108.800 0.019 0.000 2.162 45 G HA2 -0.379 3.582 3.960 0.001 0.000 0.260 45 G HA3 -0.379 3.582 3.960 0.001 0.000 0.260 45 G C 0.864 175.790 174.900 0.044 0.000 0.976 45 G CA 0.809 45.928 45.100 0.032 0.000 0.655 45 G HN 0.301 nan 8.290 nan 0.000 0.533 46 K N -0.236 120.184 120.400 0.034 0.000 2.062 46 K HA 0.232 4.552 4.320 0.001 0.000 0.205 46 K C 1.516 178.088 176.600 -0.046 0.000 1.051 46 K CA 1.488 57.808 56.287 0.055 0.000 0.941 46 K CB 0.038 32.575 32.500 0.062 0.000 0.719 46 K HN 0.795 nan 8.250 nan 0.000 0.440 47 I N -2.669 117.804 120.570 -0.162 0.000 2.892 47 I HA 0.427 4.597 4.170 0.001 0.000 0.306 47 I C -0.987 175.057 176.117 -0.122 0.000 1.078 47 I CA -1.002 60.159 61.300 -0.233 0.000 1.032 47 I CB 2.538 40.258 38.000 -0.465 0.000 1.229 47 I HN -0.263 nan 8.210 nan 0.000 0.435 48 S N 1.875 117.565 115.700 -0.016 0.000 2.549 48 S HA 0.463 4.934 4.470 0.001 0.000 0.280 48 S C -0.799 173.916 174.600 0.190 0.000 1.109 48 S CA -1.007 57.241 58.200 0.080 0.000 0.905 48 S CB 1.981 65.204 63.200 0.037 0.000 1.081 48 S HN 0.526 nan 8.310 nan 0.000 0.477 49 K N 1.744 122.243 120.400 0.165 0.000 2.355 49 K HA 0.372 4.693 4.320 0.001 0.000 0.270 49 K C -0.039 176.523 176.600 -0.063 0.000 1.003 49 K CA 0.035 56.309 56.287 -0.022 0.000 0.957 49 K CB 0.173 32.611 32.500 -0.104 0.000 0.939 49 K HN 0.610 nan 8.250 nan 0.000 0.482 50 I N -2.010 118.480 120.570 -0.133 0.000 2.957 50 I HA 0.586 4.757 4.170 0.001 0.000 0.310 50 I C 0.312 176.360 176.117 -0.115 0.000 1.063 50 I CA -1.098 60.140 61.300 -0.102 0.000 1.033 50 I CB 1.864 39.806 38.000 -0.097 0.000 1.230 50 I HN 0.525 nan 8.210 nan 0.000 0.447 51 G N 1.557 110.304 108.800 -0.089 0.000 2.557 51 G HA2 0.484 4.444 3.960 0.001 0.000 0.292 51 G HA3 0.484 4.444 3.960 0.001 0.000 0.292 51 G C -1.735 173.107 174.900 -0.096 0.000 1.237 51 G CA -1.222 43.826 45.100 -0.087 0.000 0.978 51 G HN 0.641 nan 8.290 nan 0.000 0.498 52 P HA -0.022 nan 4.420 nan 0.000 0.236 52 P C 1.200 178.441 177.300 -0.097 0.000 1.177 52 P CA 0.714 63.759 63.100 -0.093 0.000 0.773 52 P CB 0.338 31.990 31.700 -0.080 0.000 0.878 53 E N 0.071 120.218 120.200 -0.088 0.000 2.409 53 E HA -0.113 4.238 4.350 0.001 0.000 0.198 53 E C 0.465 176.990 176.600 -0.126 0.000 1.024 53 E CA 0.460 56.805 56.400 -0.091 0.000 0.861 53 E CB -0.954 28.706 29.700 -0.066 0.000 0.788 53 E HN 0.159 nan 8.360 nan 0.000 0.521 54 N N 2.332 120.953 118.700 -0.132 0.000 2.462 54 N HA 0.088 4.829 4.740 0.001 0.000 0.242 54 N C -1.864 173.501 175.510 -0.241 0.000 1.010 54 N CA -1.899 51.049 53.050 -0.170 0.000 0.939 54 N CB 1.461 39.899 38.487 -0.081 0.000 1.127 54 N HN -0.085 nan 8.380 nan 0.000 0.509 55 P HA 0.096 nan 4.420 nan 0.000 0.261 55 P C -0.508 176.582 177.300 -0.350 0.000 1.268 55 P CA 0.047 62.922 63.100 -0.376 0.000 0.833 55 P CB 0.101 31.574 31.700 -0.378 0.000 1.231 56 Y N 0.749 121.059 120.300 0.016 0.000 2.298 56 Y HA 0.483 5.033 4.550 0.001 0.000 0.329 56 Y C 1.200 177.115 175.900 0.025 0.000 1.293 56 Y CA -0.397 57.728 58.100 0.042 0.000 1.388 56 Y CB 0.432 38.947 38.460 0.092 0.000 1.309 56 Y HN -0.084 nan 8.280 nan 0.000 0.544 57 N N -1.095 117.733 118.700 0.213 0.000 2.935 57 N HA 0.322 5.063 4.740 0.001 0.000 0.248 57 N C -2.016 173.559 175.510 0.110 0.000 1.276 57 N CA -0.347 52.777 53.050 0.123 0.000 0.906 57 N CB 2.008 40.528 38.487 0.055 0.000 1.564 57 N HN 0.653 nan 8.380 nan 0.000 0.500 58 T N 2.089 116.688 114.554 0.075 0.000 2.952 58 T HA 0.479 4.830 4.350 0.001 0.000 0.305 58 T C -2.827 171.828 174.700 -0.076 0.000 1.064 58 T CA -0.721 61.381 62.100 0.003 0.000 1.008 58 T CB 2.212 71.038 68.868 -0.070 0.000 1.078 58 T HN 0.304 nan 8.240 nan 0.000 0.459 59 P HA 0.310 nan 4.420 nan 0.000 0.269 59 P C -0.945 176.166 177.300 -0.315 0.000 1.215 59 P CA -0.342 62.519 63.100 -0.398 0.000 0.780 59 P CB 0.504 31.837 31.700 -0.611 0.000 0.898 60 V N -0.314 119.395 119.914 -0.342 0.000 3.159 60 V HA 0.906 5.027 4.120 0.001 0.000 0.308 60 V C -0.897 175.181 176.094 -0.025 0.000 1.190 60 V CA -0.957 61.223 62.300 -0.201 0.000 1.037 60 V CB 1.858 33.561 31.823 -0.200 0.000 1.060 60 V HN 0.605 nan 8.190 nan 0.000 0.437 61 F N -0.986 118.841 119.950 -0.205 0.000 2.842 61 F HA 0.964 5.492 4.527 0.002 0.000 0.319 61 F C -0.637 175.136 175.800 -0.044 0.000 1.159 61 F CA -0.924 57.000 58.000 -0.126 0.000 0.902 61 F CB 0.716 39.692 39.000 -0.039 0.000 1.311 61 F HN 0.996 nan 8.300 nan 0.000 0.453 62 A N 1.872 124.765 122.820 0.122 0.000 2.330 62 A HA 0.887 5.208 4.320 0.001 0.000 0.327 62 A C -0.673 177.171 177.584 0.434 0.000 1.155 62 A CA -0.757 51.366 52.037 0.142 0.000 0.803 62 A CB 0.744 19.734 19.000 -0.017 0.000 1.208 62 A HN 1.140 nan 8.150 nan 0.000 0.477 63 I N -1.162 119.641 120.570 0.389 0.000 2.740 63 I HA 0.589 4.759 4.170 0.001 0.000 0.303 63 I C -0.451 175.752 176.117 0.142 0.000 1.044 63 I CA -1.226 60.276 61.300 0.335 0.000 1.064 63 I CB 1.881 40.028 38.000 0.244 0.000 1.249 63 I HN 0.235 nan 8.210 nan 0.000 0.433 64 K N 3.421 123.722 120.400 -0.164 0.000 2.316 64 K HA 0.218 4.538 4.320 0.001 0.000 0.289 64 K C -0.494 175.962 176.600 -0.240 0.000 1.070 64 K CA -0.189 55.818 56.287 -0.467 0.000 0.928 64 K CB 0.967 33.128 32.500 -0.565 0.000 1.039 64 K HN 0.550 nan 8.250 nan 0.000 0.480 65 K N 3.803 124.077 120.400 -0.209 0.000 2.402 65 K HA -0.114 4.207 4.320 0.001 0.000 0.279 65 K C 1.284 177.793 176.600 -0.151 0.000 1.082 65 K CA 0.381 56.584 56.287 -0.140 0.000 1.080 65 K CB 0.318 32.750 32.500 -0.114 0.000 0.899 65 K HN 0.506 nan 8.250 nan 0.000 0.469 66 K N 1.927 122.251 120.400 -0.126 0.000 2.450 66 K HA -0.408 3.912 4.320 0.001 0.000 0.211 66 K C 0.681 177.219 176.600 -0.104 0.000 0.957 66 K CA 2.519 58.742 56.287 -0.107 0.000 0.914 66 K CB -0.309 32.139 32.500 -0.085 0.000 1.105 66 K HN 0.570 nan 8.250 nan 0.000 0.505 67 D N 0.267 120.608 120.400 -0.100 0.000 2.844 67 D HA 0.170 4.811 4.640 0.001 0.000 0.271 67 D C 0.349 176.582 176.300 -0.111 0.000 1.386 67 D CA 0.393 54.340 54.000 -0.088 0.000 1.053 67 D CB 0.086 40.848 40.800 -0.064 0.000 1.107 67 D HN 0.214 nan 8.370 nan 0.000 0.395 68 S N -0.612 115.024 115.700 -0.107 0.000 2.589 68 S HA 0.000 4.471 4.470 0.001 0.000 0.256 68 S C 1.384 175.880 174.600 -0.173 0.000 1.383 68 S CA 0.838 58.970 58.200 -0.113 0.000 0.983 68 S CB 0.593 63.739 63.200 -0.090 0.000 0.908 68 S HN 0.494 nan 8.310 nan 0.000 0.572 69 T N -1.060 113.405 114.554 -0.148 0.000 3.088 69 T HA 0.089 4.440 4.350 0.001 0.000 0.259 69 T C 0.278 174.851 174.700 -0.211 0.000 1.122 69 T CA 0.162 62.147 62.100 -0.191 0.000 1.095 69 T CB -0.067 68.752 68.868 -0.082 0.000 0.930 69 T HN 0.224 nan 8.240 nan 0.000 0.508 70 K N 1.766 122.088 120.400 -0.131 0.000 2.447 70 K HA 0.101 4.422 4.320 0.001 0.000 0.281 70 K C -0.793 175.752 176.600 -0.091 0.000 1.031 70 K CA 0.007 56.265 56.287 -0.049 0.000 1.019 70 K CB 0.306 32.783 32.500 -0.038 0.000 0.918 70 K HN 0.455 nan 8.250 nan 0.000 0.476 71 W N 2.360 123.634 121.300 -0.043 0.000 2.315 71 W HA 0.253 4.913 4.660 0.001 0.000 0.316 71 W C 1.023 177.505 176.519 -0.062 0.000 1.211 71 W CA -0.384 56.934 57.345 -0.046 0.000 1.201 71 W CB 0.730 30.166 29.460 -0.040 0.000 1.184 71 W HN 0.363 nan 8.180 nan 0.000 0.544 72 R N 3.886 124.483 120.500 0.163 0.000 2.346 72 R HA 0.233 4.574 4.340 0.001 0.000 0.311 72 R C -0.035 176.277 176.300 0.021 0.000 0.983 72 R CA -0.779 55.350 56.100 0.048 0.000 0.880 72 R CB 0.853 31.145 30.300 -0.013 0.000 1.100 72 R HN 0.418 nan 8.270 nan 0.000 0.453 73 K N 4.759 125.131 120.400 -0.046 0.000 2.322 73 K HA 0.146 4.467 4.320 0.001 0.000 0.283 73 K C -1.299 175.178 176.600 -0.205 0.000 1.042 73 K CA -0.358 55.850 56.287 -0.132 0.000 0.958 73 K CB 0.717 33.131 32.500 -0.144 0.000 0.984 73 K HN 0.320 nan 8.250 nan 0.000 0.473 74 L N 4.576 125.561 121.223 -0.397 0.000 2.388 74 L HA 0.506 4.847 4.340 0.001 0.000 0.264 74 L C -1.502 174.988 176.870 -0.634 0.000 0.998 74 L CA -0.763 53.752 54.840 -0.542 0.000 0.817 74 L CB 2.186 43.740 42.059 -0.842 0.000 1.338 74 L HN 0.435 nan 8.230 nan 0.000 0.414 75 V N 2.115 121.799 119.914 -0.383 0.000 2.914 75 V HA 0.433 4.554 4.120 0.001 0.000 0.314 75 V C -1.250 174.754 176.094 -0.151 0.000 1.084 75 V CA -0.689 61.382 62.300 -0.383 0.000 0.963 75 V CB 2.065 33.500 31.823 -0.647 0.000 1.025 75 V HN 0.766 nan 8.190 nan 0.000 0.432 76 D N 1.636 122.002 120.400 -0.056 0.000 2.518 76 D HA 0.335 4.976 4.640 0.001 0.000 0.230 76 D C 0.279 176.596 176.300 0.029 0.000 1.138 76 D CA -0.276 53.835 54.000 0.186 0.000 0.964 76 D CB 0.214 41.277 40.800 0.438 0.000 1.011 76 D HN 0.326 nan 8.370 nan 0.000 0.517 77 F N 1.555 121.627 119.950 0.203 0.000 2.802 77 F HA 0.168 4.696 4.527 0.002 0.000 0.300 77 F C 2.171 178.085 175.800 0.189 0.000 1.168 77 F CA 0.054 58.167 58.000 0.188 0.000 1.433 77 F CB -0.066 39.070 39.000 0.227 0.000 1.115 77 F HN 0.254 nan 8.300 nan 0.000 0.582 78 R N 0.267 120.945 120.500 0.298 0.000 2.162 78 R HA -0.291 4.050 4.340 0.001 0.000 0.245 78 R C 2.012 178.418 176.300 0.176 0.000 1.129 78 R CA 2.204 58.423 56.100 0.198 0.000 0.940 78 R CB -0.518 29.838 30.300 0.094 0.000 0.875 78 R HN 0.158 nan 8.270 nan 0.000 0.437 79 E N 0.309 120.609 120.200 0.166 0.000 2.110 79 E HA -0.155 4.196 4.350 0.001 0.000 0.193 79 E C 1.714 178.409 176.600 0.158 0.000 0.988 79 E CA 0.763 57.243 56.400 0.134 0.000 0.804 79 E CB -0.170 29.601 29.700 0.118 0.000 0.745 79 E HN 0.093 nan 8.360 nan 0.000 0.458 80 L N 0.892 122.264 121.223 0.247 0.000 1.988 80 L HA -0.159 4.182 4.340 0.001 0.000 0.207 80 L C 1.521 178.591 176.870 0.332 0.000 1.071 80 L CA 1.745 56.754 54.840 0.282 0.000 0.744 80 L CB -0.964 41.339 42.059 0.407 0.000 0.893 80 L HN 0.100 nan 8.230 nan 0.000 0.433 81 N N 0.389 119.321 118.700 0.387 0.000 2.049 81 N HA -0.263 4.477 4.740 0.001 0.000 0.198 81 N C 1.711 177.304 175.510 0.138 0.000 1.030 81 N CA 1.934 55.148 53.050 0.274 0.000 0.870 81 N CB -0.395 38.224 38.487 0.220 0.000 1.045 81 N HN 0.435 nan 8.380 nan 0.000 0.434 82 K N 0.342 120.808 120.400 0.111 0.000 2.280 82 K HA -0.021 4.300 4.320 0.001 0.000 0.202 82 K C 1.760 178.374 176.600 0.022 0.000 1.047 82 K CA 0.848 57.162 56.287 0.045 0.000 0.942 82 K CB -0.021 32.501 32.500 0.037 0.000 0.739 82 K HN 0.249 nan 8.250 nan 0.000 0.457 83 R N 0.242 120.775 120.500 0.054 0.000 2.290 83 R HA 0.060 4.401 4.340 0.001 0.000 0.197 83 R C 0.205 176.526 176.300 0.035 0.000 0.913 83 R CA 0.194 56.303 56.100 0.015 0.000 1.040 83 R CB 0.424 30.713 30.300 -0.017 0.000 0.992 83 R HN -0.010 nan 8.270 nan 0.000 0.500 84 T N 3.041 117.661 114.554 0.111 0.000 2.851 84 T HA 0.021 4.372 4.350 0.001 0.000 0.298 84 T C 0.172 174.792 174.700 -0.133 0.000 0.977 84 T CA -0.387 61.786 62.100 0.122 0.000 1.126 84 T CB 1.024 70.049 68.868 0.262 0.000 0.916 84 T HN 0.251 nan 8.240 nan 0.000 0.529 85 Q N 2.773 122.460 119.800 -0.188 0.000 2.394 85 Q HA 0.031 4.372 4.340 0.001 0.000 0.303 85 Q C -0.715 174.869 176.000 -0.694 0.000 1.117 85 Q CA -0.054 55.540 55.803 -0.350 0.000 0.966 85 Q CB 0.455 29.038 28.738 -0.258 0.000 1.275 85 Q HN 0.477 nan 8.270 nan 0.000 0.429 86 D N 0.912 120.907 120.400 -0.674 0.000 2.312 86 D HA 0.172 4.813 4.640 0.001 0.000 0.248 86 D C -0.496 175.316 176.300 -0.814 0.000 1.086 86 D CA -0.252 53.293 54.000 -0.758 0.000 0.948 86 D CB 0.561 41.022 40.800 -0.564 0.000 1.162 86 D HN 0.509 nan 8.370 nan 0.000 0.446 87 F N 0.297 120.211 119.950 -0.059 0.000 2.983 87 F HA 0.177 4.705 4.527 0.001 0.000 0.307 87 F C -0.210 175.759 175.800 0.282 0.000 1.218 87 F CA -0.944 57.141 58.000 0.143 0.000 1.323 87 F CB -0.700 38.312 39.000 0.020 0.000 0.989 87 F HN 0.338 nan 8.300 nan 0.000 0.509 94 I N -0.755 119.942 120.570 0.212 0.000 2.493 94 I HA 0.677 4.848 4.170 0.001 0.000 0.298 94 I C -2.012 174.248 176.117 0.239 0.000 0.998 94 I CA -2.315 59.113 61.300 0.214 0.000 1.137 94 I CB 1.960 40.104 38.000 0.240 0.000 1.310 94 I HN 0.286 nan 8.210 nan 0.000 0.445 95 P HA 0.041 nan 4.420 nan 0.000 0.267 95 P C -0.659 176.688 177.300 0.079 0.000 1.205 95 P CA 0.189 63.367 63.100 0.129 0.000 0.765 95 P CB 0.383 32.136 31.700 0.088 0.000 0.828 96 H N 5.377 124.428 119.070 -0.032 0.000 3.107 96 H HA 0.069 4.626 4.556 0.001 0.000 0.301 96 H C -1.479 173.742 175.328 -0.179 0.000 0.981 96 H CA -0.798 55.118 56.048 -0.220 0.000 1.443 96 H CB -0.042 29.596 29.762 -0.206 0.000 1.479 96 H HN 0.255 nan 8.280 nan 0.000 0.564 97 P HA 0.095 nan 4.420 nan 0.000 0.273 97 P C 0.312 177.295 177.300 -0.528 0.000 1.428 97 P CA -0.048 62.764 63.100 -0.480 0.000 0.995 97 P CB 0.790 32.267 31.700 -0.372 0.000 1.286 98 A N 4.291 126.970 122.820 -0.236 0.000 2.042 98 A HA -0.178 4.142 4.320 0.001 0.000 0.222 98 A C 2.267 179.772 177.584 -0.130 0.000 1.167 98 A CA 2.109 54.084 52.037 -0.103 0.000 0.649 98 A CB -1.451 17.537 19.000 -0.019 0.000 0.809 98 A HN 0.532 nan 8.150 nan 0.000 0.457 99 G N -0.672 108.042 108.800 -0.143 0.000 2.471 99 G HA2 -0.077 3.884 3.960 0.001 0.000 0.219 99 G HA3 -0.077 3.884 3.960 0.001 0.000 0.219 99 G C 1.358 176.184 174.900 -0.123 0.000 1.125 99 G CA 0.979 46.013 45.100 -0.111 0.000 0.775 99 G HN 0.451 nan 8.290 nan 0.000 0.548 100 L N 1.706 122.826 121.223 -0.171 0.000 1.990 100 L HA -0.159 4.181 4.340 0.001 0.000 0.213 100 L C 2.989 179.780 176.870 -0.131 0.000 1.072 100 L CA 2.625 57.385 54.840 -0.132 0.000 0.755 100 L CB -0.524 41.432 42.059 -0.171 0.000 0.889 100 L HN 0.473 nan 8.230 nan 0.000 0.432 101 K N -0.914 119.394 120.400 -0.154 0.000 2.211 101 K HA -0.213 4.108 4.320 0.001 0.000 0.204 101 K C 1.537 177.991 176.600 -0.245 0.000 1.047 101 K CA 1.710 57.862 56.287 -0.225 0.000 0.935 101 K CB -0.457 31.905 32.500 -0.229 0.000 0.728 101 K HN 0.277 nan 8.250 nan 0.000 0.452 102 K N 0.960 121.258 120.400 -0.169 0.000 2.469 102 K HA 0.113 4.434 4.320 0.001 0.000 0.201 102 K C -0.352 176.172 176.600 -0.127 0.000 1.028 102 K CA 0.005 56.206 56.287 -0.144 0.000 1.170 102 K CB 0.379 32.820 32.500 -0.098 0.000 0.874 102 K HN 0.026 nan 8.250 nan 0.000 0.507 103 K N 0.731 121.047 120.400 -0.140 0.000 2.130 103 K HA 0.186 4.507 4.320 0.001 0.000 0.268 103 K C 0.600 177.122 176.600 -0.129 0.000 0.983 103 K CA -0.261 55.962 56.287 -0.106 0.000 0.893 103 K CB 1.495 33.953 32.500 -0.070 0.000 1.066 103 K HN -0.110 nan 8.250 nan 0.000 0.450 104 K N 0.667 121.010 120.400 -0.094 0.000 2.057 104 K HA -0.027 4.293 4.320 0.001 0.000 0.207 104 K C 0.078 176.628 176.600 -0.083 0.000 1.049 104 K CA 1.125 57.372 56.287 -0.066 0.000 0.931 104 K CB 0.152 32.632 32.500 -0.034 0.000 0.714 104 K HN 0.390 nan 8.250 nan 0.000 0.440 105 S N 0.467 116.041 115.700 -0.211 0.000 2.668 105 S HA 0.318 4.788 4.470 0.001 0.000 0.277 105 S C -0.730 173.678 174.600 -0.320 0.000 1.170 105 S CA -0.870 57.091 58.200 -0.397 0.000 0.994 105 S CB 2.358 65.222 63.200 -0.559 0.000 1.051 105 S HN -0.128 nan 8.310 nan 0.000 0.484 106 V N 2.483 122.310 119.914 -0.144 0.000 2.850 106 V HA 0.737 4.858 4.120 0.001 0.000 0.315 106 V C 0.092 176.274 176.094 0.147 0.000 1.064 106 V CA -0.446 61.896 62.300 0.070 0.000 0.979 106 V CB 2.166 34.074 31.823 0.142 0.000 1.039 106 V HN 0.898 nan 8.190 nan 0.000 0.452 107 T N 1.880 116.574 114.554 0.233 0.000 2.893 107 T HA 0.608 4.958 4.350 0.001 0.000 0.293 107 T C -0.773 174.010 174.700 0.138 0.000 1.027 107 T CA -0.401 61.813 62.100 0.190 0.000 0.988 107 T CB 1.864 70.844 68.868 0.186 0.000 1.043 107 T HN 0.368 nan 8.240 nan 0.000 0.461 108 V N 3.915 123.880 119.914 0.086 0.000 2.547 108 V HA 0.647 4.768 4.120 0.001 0.000 0.299 108 V C -0.459 175.581 176.094 -0.090 0.000 1.040 108 V CA -0.776 61.496 62.300 -0.047 0.000 0.913 108 V CB 1.401 33.248 31.823 0.040 0.000 0.992 108 V HN 0.676 nan 8.190 nan 0.000 0.449 109 L N 2.507 123.625 121.223 -0.174 0.000 2.409 109 L HA 0.557 4.898 4.340 0.001 0.000 0.262 109 L C -1.103 175.672 176.870 -0.158 0.000 0.992 109 L CA -0.671 54.086 54.840 -0.137 0.000 0.817 109 L CB 2.457 44.441 42.059 -0.125 0.000 1.350 109 L HN 0.569 nan 8.230 nan 0.000 0.411 110 D N 1.391 121.712 120.400 -0.132 0.000 2.456 110 D HA 0.263 4.904 4.640 0.001 0.000 0.219 110 D C 0.366 176.563 176.300 -0.172 0.000 1.126 110 D CA -0.326 53.591 54.000 -0.139 0.000 0.890 110 D CB 1.342 42.069 40.800 -0.122 0.000 1.025 110 D HN 0.304 nan 8.370 nan 0.000 0.511 111 V N 2.211 122.000 119.914 -0.208 0.000 3.170 111 V HA 0.464 4.585 4.120 0.001 0.000 0.354 111 V C 1.512 177.280 176.094 -0.543 0.000 1.350 111 V CA 0.294 62.424 62.300 -0.282 0.000 1.244 111 V CB 0.288 31.987 31.823 -0.207 0.000 1.222 111 V HN 0.434 nan 8.190 nan 0.000 0.478 112 G N 0.633 109.137 108.800 -0.492 0.000 2.421 112 G HA2 -0.157 3.804 3.960 0.001 0.000 0.217 112 G HA3 -0.157 3.804 3.960 0.001 0.000 0.217 112 G C 1.055 175.493 174.900 -0.770 0.000 1.143 112 G CA 0.962 45.613 45.100 -0.749 0.000 0.784 112 G HN 0.561 nan 8.290 nan 0.000 0.541 113 D N 1.505 121.669 120.400 -0.392 0.000 2.172 113 D HA -0.201 4.440 4.640 0.001 0.000 0.196 113 D C 2.723 178.975 176.300 -0.080 0.000 0.999 113 D CA 1.316 55.211 54.000 -0.174 0.000 0.856 113 D CB -0.209 40.526 40.800 -0.109 0.000 0.934 113 D HN 0.365 nan 8.370 nan 0.000 0.453 114 A N 0.736 123.331 122.820 -0.376 0.000 2.131 114 A HA -0.207 4.114 4.320 0.001 0.000 0.220 114 A C 1.691 178.999 177.584 -0.460 0.000 1.158 114 A CA 0.986 52.768 52.037 -0.426 0.000 0.665 114 A CB -0.799 17.767 19.000 -0.722 0.000 0.795 114 A HN 0.221 nan 8.150 nan 0.000 0.460 115 Y N -0.266 119.810 120.300 -0.372 0.000 2.242 115 Y HA -0.151 4.400 4.550 0.001 0.000 0.291 115 Y C 2.108 177.975 175.900 -0.055 0.000 1.137 115 Y CA 0.376 58.322 58.100 -0.257 0.000 1.181 115 Y CB -1.584 36.785 38.460 -0.152 0.000 0.989 115 Y HN 0.593 nan 8.280 nan 0.000 0.527 116 F N 0.260 120.263 119.950 0.088 0.000 2.202 116 F HA -0.174 4.354 4.527 0.001 0.000 0.301 116 F C 2.006 177.862 175.800 0.095 0.000 1.082 116 F CA 1.303 59.365 58.000 0.102 0.000 1.313 116 F CB -1.235 37.804 39.000 0.064 0.000 1.024 116 F HN -0.129 nan 8.300 nan 0.000 0.495 117 S N 0.226 115.360 115.700 -0.944 0.000 2.419 117 S HA -0.038 4.433 4.470 0.001 0.000 0.233 117 S C 0.810 175.273 174.600 -0.228 0.000 1.016 117 S CA 0.854 58.589 58.200 -0.775 0.000 0.974 117 S CB -0.644 62.215 63.200 -0.569 0.000 0.786 117 S HN 0.179 nan 8.310 nan 0.000 0.492 118 V N 4.324 124.196 119.914 -0.071 0.000 2.427 118 V HA 0.344 4.465 4.120 0.001 0.000 0.286 118 V C -2.286 173.843 176.094 0.058 0.000 1.034 118 V CA -2.384 59.935 62.300 0.033 0.000 0.893 118 V CB 1.257 33.144 31.823 0.108 0.000 0.982 118 V HN 0.107 nan 8.190 nan 0.000 0.452 119 P HA 0.251 nan 4.420 nan 0.000 0.279 119 P C -0.857 176.495 177.300 0.086 0.000 1.239 119 P CA -0.430 62.715 63.100 0.075 0.000 0.789 119 P CB 1.716 33.451 31.700 0.059 0.000 0.933 120 L N 2.829 124.115 121.223 0.105 0.000 2.312 120 L HA 0.384 4.725 4.340 0.001 0.000 0.281 120 L C 0.150 177.086 176.870 0.111 0.000 1.070 120 L CA -0.367 54.539 54.840 0.110 0.000 0.805 120 L CB 0.085 42.207 42.059 0.106 0.000 1.174 120 L HN 0.257 nan 8.230 nan 0.000 0.434 121 D N 3.012 123.481 120.400 0.116 0.000 2.658 121 D HA -0.134 4.506 4.640 0.001 0.000 0.230 121 D C 1.182 177.561 176.300 0.132 0.000 1.118 121 D CA 1.041 55.112 54.000 0.119 0.000 0.848 121 D CB 0.830 41.709 40.800 0.132 0.000 1.160 121 D HN 0.804 nan 8.370 nan 0.000 0.497 122 E N 2.714 122.970 120.200 0.094 0.000 2.147 122 E HA -0.277 4.073 4.350 0.001 0.000 0.199 122 E C 0.680 177.316 176.600 0.059 0.000 1.005 122 E CA 1.478 57.920 56.400 0.070 0.000 0.810 122 E CB -0.095 29.637 29.700 0.052 0.000 0.736 122 E HN 0.523 nan 8.360 nan 0.000 0.460 123 D N -0.337 120.115 120.400 0.086 0.000 2.277 123 D HA -0.073 4.567 4.640 0.001 0.000 0.208 123 D C 1.375 177.707 176.300 0.054 0.000 0.962 123 D CA 0.630 54.669 54.000 0.065 0.000 0.865 123 D CB -0.104 40.761 40.800 0.107 0.000 0.939 123 D HN 0.224 nan 8.370 nan 0.000 0.510 124 F N 1.906 121.841 119.950 -0.025 0.000 2.473 124 F HA 0.101 4.629 4.527 0.001 0.000 0.294 124 F C 2.155 177.883 175.800 -0.121 0.000 1.103 124 F CA 0.190 58.188 58.000 -0.003 0.000 1.442 124 F CB 0.178 39.217 39.000 0.065 0.000 1.097 124 F HN -0.277 nan 8.300 nan 0.000 0.547 125 R N 1.162 121.657 120.500 -0.008 0.000 2.134 125 R HA -0.268 4.073 4.340 0.001 0.000 0.248 125 R C 2.372 178.589 176.300 -0.139 0.000 1.143 125 R CA 2.183 58.262 56.100 -0.036 0.000 0.957 125 R CB -0.915 29.400 30.300 0.025 0.000 0.867 125 R HN 0.375 nan 8.270 nan 0.000 0.441 126 K N 0.420 120.660 120.400 -0.268 0.000 2.074 126 K HA -0.219 4.101 4.320 0.001 0.000 0.209 126 K C 1.640 178.135 176.600 -0.174 0.000 1.048 126 K CA 1.891 58.047 56.287 -0.217 0.000 0.926 126 K CB -0.631 31.704 32.500 -0.276 0.000 0.713 126 K HN 0.232 nan 8.250 nan 0.000 0.444 127 Y N 2.655 122.738 120.300 -0.361 0.000 2.651 127 Y HA -0.080 4.471 4.550 0.001 0.000 0.296 127 Y C 2.332 178.061 175.900 -0.286 0.000 1.150 127 Y CA 1.321 59.074 58.100 -0.578 0.000 1.348 127 Y CB -0.830 36.995 38.460 -1.058 0.000 0.983 127 Y HN 0.435 nan 8.280 nan 0.000 0.555 128 T N -2.988 111.559 114.554 -0.011 0.000 3.122 128 T HA 0.493 4.843 4.350 0.001 0.000 0.250 128 T C 0.883 175.806 174.700 0.372 0.000 1.067 128 T CA 0.030 62.266 62.100 0.228 0.000 0.966 128 T CB -0.503 68.497 68.868 0.219 0.000 1.002 128 T HN 0.198 nan 8.240 nan 0.000 0.542 129 A N 1.925 124.880 122.820 0.226 0.000 2.566 129 A HA 0.489 4.809 4.320 0.001 0.000 0.245 129 A C 0.057 177.759 177.584 0.197 0.000 1.056 129 A CA -0.298 51.828 52.037 0.148 0.000 0.757 129 A CB -0.740 18.309 19.000 0.082 0.000 0.979 129 A HN 0.757 nan 8.150 nan 0.000 0.508 130 F N 0.160 120.167 119.950 0.095 0.000 2.679 130 F HA 0.931 5.459 4.527 0.001 0.000 0.341 130 F C -0.142 175.662 175.800 0.007 0.000 1.095 130 F CA -0.881 57.137 58.000 0.030 0.000 1.004 130 F CB 1.419 40.437 39.000 0.029 0.000 1.388 130 F HN 0.350 nan 8.300 nan 0.000 0.505 131 T N 1.665 116.325 114.554 0.177 0.000 2.993 131 T HA 0.519 4.870 4.350 0.001 0.000 0.312 131 T C -0.971 173.771 174.700 0.070 0.000 1.115 131 T CA -0.482 61.617 62.100 -0.001 0.000 1.027 131 T CB 1.607 70.432 68.868 -0.071 0.000 1.116 131 T HN 0.607 nan 8.240 nan 0.000 0.464 132 I N 4.817 125.398 120.570 0.019 0.000 2.307 132 I HA 0.339 4.510 4.170 0.001 0.000 0.289 132 I C -2.085 174.002 176.117 -0.049 0.000 1.021 132 I CA -2.325 58.984 61.300 0.016 0.000 1.224 132 I CB 1.326 39.360 38.000 0.056 0.000 1.376 132 I HN 0.294 nan 8.210 nan 0.000 0.470 133 P HA 0.142 nan 4.420 nan 0.000 0.276 133 P C -0.677 176.588 177.300 -0.059 0.000 1.244 133 P CA -0.339 62.724 63.100 -0.062 0.000 0.801 133 P CB 1.363 33.026 31.700 -0.062 0.000 1.006 134 S N 1.742 117.409 115.700 -0.056 0.000 2.472 134 S HA 0.458 4.929 4.470 0.001 0.000 0.303 134 S C 0.420 174.993 174.600 -0.045 0.000 1.099 134 S CA -0.993 57.177 58.200 -0.051 0.000 1.077 134 S CB 0.318 63.487 63.200 -0.052 0.000 1.031 134 S HN 0.302 nan 8.310 nan 0.000 0.487 135 I N 2.861 123.405 120.570 -0.043 0.000 2.919 135 I HA -0.073 4.098 4.170 0.001 0.000 0.303 135 I C 1.290 177.387 176.117 -0.032 0.000 1.221 135 I CA 0.510 61.787 61.300 -0.037 0.000 1.444 135 I CB -0.447 37.531 38.000 -0.036 0.000 1.331 135 I HN 1.018 nan 8.210 nan 0.000 0.572 136 N N 4.779 123.462 118.700 -0.028 0.000 2.678 136 N HA -0.280 4.461 4.740 0.001 0.000 0.250 136 N C 0.086 175.580 175.510 -0.026 0.000 1.136 136 N CA 1.195 54.231 53.050 -0.025 0.000 0.757 136 N CB -0.927 37.547 38.487 -0.022 0.000 1.135 136 N HN 0.803 nan 8.380 nan 0.000 0.565 137 N N -0.939 117.743 118.700 -0.030 0.000 2.727 137 N HA -0.220 4.521 4.740 0.001 0.000 0.249 137 N C 0.001 175.491 175.510 -0.033 0.000 1.048 137 N CA 1.366 54.396 53.050 -0.033 0.000 0.714 137 N CB -0.978 37.491 38.487 -0.030 0.000 0.959 137 N HN 0.728 nan 8.380 nan 0.000 0.544 138 E N -0.963 119.217 120.200 -0.033 0.000 2.371 138 E HA 0.025 4.376 4.350 0.001 0.000 0.194 138 E C 0.058 176.636 176.600 -0.037 0.000 1.012 138 E CA 0.730 57.111 56.400 -0.032 0.000 0.860 138 E CB 0.342 30.025 29.700 -0.029 0.000 0.811 138 E HN 0.261 nan 8.360 nan 0.000 0.502 139 T N 1.689 116.217 114.554 -0.043 0.000 2.876 139 T HA 0.349 4.699 4.350 0.001 0.000 0.289 139 T C -2.595 172.070 174.700 -0.059 0.000 1.014 139 T CA -1.642 60.428 62.100 -0.050 0.000 0.986 139 T CB 2.069 70.905 68.868 -0.053 0.000 1.021 139 T HN -0.198 nan 8.240 nan 0.000 0.458 140 P HA 0.313 nan 4.420 nan 0.000 0.271 140 P C 0.337 177.581 177.300 -0.094 0.000 1.233 140 P CA -0.246 62.808 63.100 -0.077 0.000 0.789 140 P CB 0.322 31.973 31.700 -0.081 0.000 0.951 141 G N 0.696 109.435 108.800 -0.102 0.000 2.527 141 G HA2 0.303 4.264 3.960 0.001 0.000 0.248 141 G HA3 0.303 4.264 3.960 0.001 0.000 0.248 141 G C -0.265 174.527 174.900 -0.180 0.000 1.231 141 G CA -0.591 44.436 45.100 -0.121 0.000 0.838 141 G HN 0.415 nan 8.290 nan 0.000 0.570 142 I N 2.489 122.929 120.570 -0.217 0.000 2.278 142 I HA 0.168 4.338 4.170 0.001 0.000 0.296 142 I C 0.411 176.186 176.117 -0.569 0.000 1.121 142 I CA -0.518 60.554 61.300 -0.379 0.000 1.267 142 I CB 0.229 38.018 38.000 -0.351 0.000 1.447 142 I HN 0.122 nan 8.210 nan 0.000 0.509 143 R N 5.721 125.902 120.500 -0.532 0.000 2.347 143 R HA 0.387 4.728 4.340 0.001 0.000 0.304 143 R C -0.934 174.950 176.300 -0.692 0.000 1.072 143 R CA -0.058 55.730 56.100 -0.521 0.000 0.980 143 R CB 0.726 30.838 30.300 -0.314 0.000 0.986 143 R HN 0.398 nan 8.270 nan 0.000 0.448 144 Y N 0.167 120.072 120.300 -0.658 0.000 3.048 144 Y HA 0.363 4.913 4.550 0.001 0.000 0.305 144 Y C 0.323 175.932 175.900 -0.485 0.000 1.538 144 Y CA -0.768 56.950 58.100 -0.636 0.000 1.082 144 Y CB 1.206 39.068 38.460 -0.997 0.000 1.388 144 Y HN 0.512 nan 8.280 nan 0.000 0.557 145 Q N -1.060 118.713 119.800 -0.044 0.000 2.848 145 Q HA 0.362 4.703 4.340 0.001 0.000 0.288 145 Q C -2.462 173.621 176.000 0.137 0.000 0.907 145 Q CA -0.948 54.923 55.803 0.114 0.000 0.792 145 Q CB 1.211 29.988 28.738 0.065 0.000 1.534 145 Q HN 0.559 nan 8.270 nan 0.000 0.419 146 Y N 1.001 121.402 120.300 0.168 0.000 2.334 146 Y HA 0.367 4.918 4.550 0.001 0.000 0.328 146 Y C 0.458 176.405 175.900 0.078 0.000 1.130 146 Y CA 0.085 58.266 58.100 0.134 0.000 1.163 146 Y CB 1.796 40.331 38.460 0.125 0.000 1.207 146 Y HN 0.781 nan 8.280 nan 0.000 0.471 147 N N 0.102 118.934 118.700 0.221 0.000 2.348 147 N HA 0.097 4.837 4.740 0.001 0.000 0.183 147 N C -0.405 175.212 175.510 0.177 0.000 1.094 147 N CA 0.124 53.266 53.050 0.152 0.000 0.885 147 N CB 0.775 39.320 38.487 0.096 0.000 1.065 147 N HN 0.362 nan 8.380 nan 0.000 0.472 148 V N -1.676 118.395 119.914 0.263 0.000 3.284 148 V HA 0.482 4.602 4.120 0.001 0.000 0.309 148 V C 0.072 176.296 176.094 0.215 0.000 1.190 148 V CA -1.248 61.194 62.300 0.236 0.000 1.038 148 V CB 0.853 32.846 31.823 0.282 0.000 1.198 148 V HN -0.092 nan 8.190 nan 0.000 0.465 149 L N 2.018 123.337 121.223 0.159 0.000 2.418 149 L HA 0.372 4.713 4.340 0.001 0.000 0.274 149 L C -2.304 174.589 176.870 0.038 0.000 1.135 149 L CA -1.170 53.720 54.840 0.083 0.000 0.870 149 L CB 0.755 42.828 42.059 0.024 0.000 1.154 149 L HN 0.504 nan 8.230 nan 0.000 0.462 150 P HA 0.166 nan 4.420 nan 0.000 0.279 150 P C -0.974 176.266 177.300 -0.100 0.000 1.239 150 P CA -0.531 62.225 63.100 -0.572 0.000 0.789 150 P CB 0.706 31.728 31.700 -1.130 0.000 0.933 151 Q N 1.201 121.061 119.800 0.099 0.000 2.314 151 Q HA 0.394 4.734 4.340 0.001 0.000 0.258 151 Q C 1.163 177.337 176.000 0.290 0.000 0.954 151 Q CA 0.703 56.672 55.803 0.277 0.000 0.890 151 Q CB 0.276 29.124 28.738 0.184 0.000 1.210 151 Q HN 0.842 nan 8.270 nan 0.000 0.410 152 G N 1.790 110.769 108.800 0.297 0.000 2.195 152 G HA2 -0.248 3.713 3.960 0.001 0.000 0.246 152 G HA3 -0.248 3.713 3.960 0.001 0.000 0.246 152 G C -0.556 174.560 174.900 0.361 0.000 0.984 152 G CA -0.097 45.224 45.100 0.368 0.000 0.633 152 G HN 0.639 nan 8.290 nan 0.000 0.525 153 W N 2.503 123.700 121.300 -0.172 0.000 2.283 153 W HA 0.617 5.277 4.660 0.001 0.000 0.341 153 W C 1.584 177.991 176.519 -0.188 0.000 1.206 153 W CA -0.557 56.563 57.345 -0.375 0.000 1.294 153 W CB 0.908 29.927 29.460 -0.735 0.000 1.154 153 W HN 0.185 nan 8.180 nan 0.000 0.613 154 K N 1.792 121.864 120.400 -0.545 0.000 2.076 154 K HA 0.052 4.372 4.320 0.001 0.000 0.204 154 K C 1.734 177.852 176.600 -0.803 0.000 1.051 154 K CA 1.447 57.418 56.287 -0.526 0.000 0.949 154 K CB -0.827 31.491 32.500 -0.304 0.000 0.726 154 K HN 0.595 nan 8.250 nan 0.000 0.443 155 G N 0.753 108.528 108.800 -1.709 0.000 2.498 155 G HA2 -0.199 3.762 3.960 0.001 0.000 0.219 155 G HA3 -0.199 3.762 3.960 0.001 0.000 0.219 155 G C 1.185 175.426 174.900 -1.099 0.000 1.119 155 G CA 0.754 44.908 45.100 -1.576 0.000 0.766 155 G HN 0.353 nan 8.290 nan 0.000 0.552 156 S N 1.570 116.746 115.700 -0.872 0.000 2.336 156 S HA -0.053 4.418 4.470 0.001 0.000 0.214 156 S C 0.222 174.357 174.600 -0.775 0.000 1.032 156 S CA 1.355 59.083 58.200 -0.786 0.000 1.001 156 S CB -0.873 61.745 63.200 -0.970 0.000 0.953 156 S HN 0.364 nan 8.310 nan 0.000 0.430 157 P HA -0.053 nan 4.420 nan 0.000 0.221 157 P C 1.126 178.340 177.300 -0.143 0.000 1.145 157 P CA 1.389 64.402 63.100 -0.145 0.000 0.795 157 P CB -0.095 31.580 31.700 -0.041 0.000 0.775 158 A N 0.692 123.321 122.820 -0.317 0.000 1.832 158 A HA -0.135 4.186 4.320 0.001 0.000 0.214 158 A C 2.364 179.705 177.584 -0.405 0.000 1.200 158 A CA 1.446 53.249 52.037 -0.390 0.000 0.610 158 A CB -1.521 17.079 19.000 -0.666 0.000 0.842 158 A HN 0.096 nan 8.150 nan 0.000 0.444 159 I N -1.898 118.384 120.570 -0.480 0.000 2.361 159 I HA -0.196 3.975 4.170 0.001 0.000 0.251 159 I C 1.920 177.958 176.117 -0.132 0.000 1.133 159 I CA 1.183 62.287 61.300 -0.326 0.000 1.413 159 I CB -0.192 37.643 38.000 -0.275 0.000 1.073 159 I HN 0.388 nan 8.210 nan 0.000 0.424 160 F N 1.291 121.102 119.950 -0.232 0.000 2.695 160 F HA 0.021 4.549 4.527 0.001 0.000 0.301 160 F C 1.968 177.712 175.800 -0.094 0.000 1.182 160 F CA 0.125 58.058 58.000 -0.112 0.000 1.412 160 F CB -0.212 38.786 39.000 -0.004 0.000 1.056 160 F HN -0.014 nan 8.300 nan 0.000 0.522 161 Q N 0.405 120.116 119.800 -0.148 0.000 2.020 161 Q HA -0.129 4.212 4.340 0.001 0.000 0.198 161 Q C 2.544 178.402 176.000 -0.237 0.000 0.974 161 Q CA 2.206 57.916 55.803 -0.155 0.000 0.829 161 Q CB -0.444 28.229 28.738 -0.108 0.000 0.894 161 Q HN 0.463 nan 8.270 nan 0.000 0.433 162 S N -0.513 115.050 115.700 -0.229 0.000 2.369 162 S HA -0.224 4.247 4.470 0.001 0.000 0.225 162 S C 2.134 176.550 174.600 -0.306 0.000 1.043 162 S CA 1.803 59.876 58.200 -0.212 0.000 1.074 162 S CB -1.015 62.084 63.200 -0.168 0.000 0.962 162 S HN 0.363 nan 8.310 nan 0.000 0.433 163 S N 1.741 117.155 115.700 -0.476 0.000 2.399 163 S HA -0.047 4.423 4.470 0.001 0.000 0.231 163 S C 1.804 175.958 174.600 -0.743 0.000 1.022 163 S CA 1.498 59.318 58.200 -0.633 0.000 0.983 163 S CB -0.552 62.120 63.200 -0.881 0.000 0.803 163 S HN 0.423 nan 8.310 nan 0.000 0.480 164 M N 2.888 122.009 119.600 -0.798 0.000 2.062 164 M HA -0.101 4.380 4.480 0.001 0.000 0.259 164 M C 2.421 178.561 176.300 -0.267 0.000 1.076 164 M CA 2.283 57.306 55.300 -0.461 0.000 1.122 164 M CB -1.782 30.704 32.600 -0.190 0.000 1.312 164 M HN 0.478 nan 8.290 nan 0.000 0.412 165 T N -1.440 112.999 114.554 -0.190 0.000 2.653 165 T HA -0.252 4.099 4.350 0.001 0.000 0.268 165 T C 1.929 176.560 174.700 -0.114 0.000 1.035 165 T CA 1.982 64.019 62.100 -0.105 0.000 1.154 165 T CB -0.695 68.126 68.868 -0.077 0.000 0.862 165 T HN 0.440 nan 8.240 nan 0.000 0.441 166 K N 1.299 121.599 120.400 -0.167 0.000 2.000 166 K HA -0.105 4.215 4.320 0.001 0.000 0.218 166 K C 2.463 178.970 176.600 -0.154 0.000 1.053 166 K CA 2.175 58.377 56.287 -0.142 0.000 0.946 166 K CB -0.683 31.713 32.500 -0.172 0.000 0.723 166 K HN 0.717 nan 8.250 nan 0.000 0.446 167 I N -1.056 119.300 120.570 -0.358 0.000 2.567 167 I HA -0.199 3.971 4.170 0.001 0.000 0.257 167 I C 1.707 177.735 176.117 -0.148 0.000 1.184 167 I CA 1.267 62.252 61.300 -0.525 0.000 1.451 167 I CB -0.223 37.057 38.000 -1.199 0.000 1.089 167 I HN 0.064 nan 8.210 nan 0.000 0.441 168 L N 0.859 122.043 121.223 -0.064 0.000 2.102 168 L HA -0.019 4.322 4.340 0.001 0.000 0.202 168 L C 2.563 179.546 176.870 0.188 0.000 1.076 168 L CA 0.945 55.852 54.840 0.112 0.000 0.761 168 L CB -0.679 41.404 42.059 0.040 0.000 0.921 168 L HN 0.192 nan 8.230 nan 0.000 0.444 169 E N 0.413 120.671 120.200 0.096 0.000 2.240 169 E HA -0.313 4.038 4.350 0.001 0.000 0.236 169 E C -0.569 176.083 176.600 0.087 0.000 1.085 169 E CA 2.250 58.697 56.400 0.079 0.000 0.979 169 E CB -1.693 28.036 29.700 0.047 0.000 0.845 169 E HN 0.415 nan 8.360 nan 0.000 0.483 170 P HA -0.208 nan 4.420 nan 0.000 0.218 170 P C 1.190 178.490 177.300 -0.001 0.000 1.154 170 P CA 1.259 64.376 63.100 0.028 0.000 0.872 170 P CB -0.111 31.598 31.700 0.015 0.000 0.790 171 F N -0.214 119.654 119.950 -0.137 0.000 2.206 171 F HA -0.042 4.485 4.527 0.001 0.000 0.298 171 F C 2.235 178.021 175.800 -0.022 0.000 1.090 171 F CA 1.162 59.099 58.000 -0.104 0.000 1.323 171 F CB -0.258 38.729 39.000 -0.021 0.000 1.028 171 F HN -0.281 nan 8.300 nan 0.000 0.492 172 R N -0.056 120.514 120.500 0.117 0.000 2.081 172 R HA -0.160 4.180 4.340 0.001 0.000 0.235 172 R C 1.957 178.236 176.300 -0.035 0.000 1.131 172 R CA 1.594 57.723 56.100 0.048 0.000 0.960 172 R CB -0.228 30.119 30.300 0.079 0.000 0.856 172 R HN 0.094 nan 8.270 nan 0.000 0.436 173 K N 0.519 120.896 120.400 -0.038 0.000 2.116 173 K HA -0.044 4.277 4.320 0.001 0.000 0.203 173 K C 2.039 178.580 176.600 -0.099 0.000 1.052 173 K CA 1.109 57.365 56.287 -0.052 0.000 0.952 173 K CB -0.040 32.443 32.500 -0.029 0.000 0.729 173 K HN 0.178 nan 8.250 nan 0.000 0.446 174 Q N 0.261 119.967 119.800 -0.156 0.000 2.084 174 Q HA -0.073 4.268 4.340 0.001 0.000 0.202 174 Q C -0.249 175.599 176.000 -0.254 0.000 0.978 174 Q CA 1.288 56.963 55.803 -0.213 0.000 0.844 174 Q CB -0.056 28.499 28.738 -0.305 0.000 0.898 174 Q HN 0.295 nan 8.270 nan 0.000 0.426 175 N N 0.259 118.760 118.700 -0.332 0.000 2.790 175 N HA 0.115 4.856 4.740 0.001 0.000 0.256 175 N C -2.345 173.075 175.510 -0.149 0.000 1.409 175 N CA -0.871 52.016 53.050 -0.271 0.000 0.799 175 N CB 1.474 39.703 38.487 -0.430 0.000 1.170 175 N HN 0.042 nan 8.380 nan 0.000 0.507 176 P HA -0.061 nan 4.420 nan 0.000 0.245 176 P C 0.222 177.509 177.300 -0.022 0.000 1.212 176 P CA 0.784 63.858 63.100 -0.042 0.000 0.774 176 P CB 0.477 32.155 31.700 -0.037 0.000 0.999 177 D N -0.278 120.106 120.400 -0.026 0.000 2.347 177 D HA 0.018 4.659 4.640 0.001 0.000 0.213 177 D C 0.765 177.072 176.300 0.012 0.000 0.985 177 D CA 0.270 54.264 54.000 -0.009 0.000 0.879 177 D CB -0.171 40.622 40.800 -0.011 0.000 0.919 177 D HN 0.125 nan 8.370 nan 0.000 0.526 178 I N 0.528 121.113 120.570 0.025 0.000 2.566 178 I HA 0.286 4.457 4.170 0.001 0.000 0.303 178 I C -0.399 175.765 176.117 0.079 0.000 0.983 178 I CA -1.139 60.204 61.300 0.072 0.000 1.235 178 I CB 2.062 40.132 38.000 0.116 0.000 1.386 178 I HN -0.275 nan 8.210 nan 0.000 0.494 179 V N 5.779 125.751 119.914 0.096 0.000 2.540 179 V HA 0.472 4.593 4.120 0.001 0.000 0.302 179 V C -0.221 175.963 176.094 0.150 0.000 1.035 179 V CA -0.515 61.840 62.300 0.093 0.000 0.873 179 V CB 1.946 33.793 31.823 0.041 0.000 0.992 179 V HN 0.453 nan 8.190 nan 0.000 0.428 180 I N 4.814 125.483 120.570 0.165 0.000 2.382 180 I HA 0.414 4.584 4.170 0.001 0.000 0.286 180 I C -1.343 174.948 176.117 0.290 0.000 1.002 180 I CA -0.645 60.780 61.300 0.207 0.000 1.135 180 I CB 1.538 39.638 38.000 0.167 0.000 1.288 180 I HN 0.595 nan 8.210 nan 0.000 0.448 181 Y N 6.439 126.862 120.300 0.206 0.000 2.377 181 Y HA 0.372 4.923 4.550 0.001 0.000 0.339 181 Y C -0.492 175.628 175.900 0.367 0.000 1.011 181 Y CA -1.092 57.167 58.100 0.266 0.000 1.093 181 Y CB 1.625 40.247 38.460 0.270 0.000 1.201 181 Y HN 0.507 nan 8.280 nan 0.000 0.455 182 Q N 6.109 125.772 119.800 -0.229 0.000 2.368 182 Q HA 0.277 4.618 4.340 0.001 0.000 0.263 182 Q C -2.251 173.562 176.000 -0.312 0.000 1.009 182 Q CA -0.727 54.962 55.803 -0.189 0.000 0.818 182 Q CB 0.897 29.625 28.738 -0.017 0.000 1.239 182 Q HN 0.736 nan 8.270 nan 0.000 0.464 183 Y N 6.725 126.910 120.300 -0.191 0.000 2.331 183 Y HA 0.262 4.812 4.550 0.001 0.000 0.334 183 Y C 0.388 176.370 175.900 0.136 0.000 0.960 183 Y CA -0.406 57.672 58.100 -0.037 0.000 1.130 183 Y CB 0.749 39.270 38.460 0.101 0.000 1.164 183 Y HN 0.884 nan 8.280 nan 0.000 0.458 184 M N 1.923 121.282 119.600 -0.401 0.000 7.319 184 M HA -0.421 4.060 4.480 0.001 0.000 0.303 184 M C 0.553 176.904 176.300 0.085 0.000 0.480 184 M CA 2.383 57.575 55.300 -0.179 0.000 1.311 184 M CB -1.550 30.966 32.600 -0.141 0.000 0.421 184 M HN 0.704 nan 8.290 nan 0.000 0.657 185 D N 0.649 121.137 120.400 0.146 0.000 2.339 185 D HA 0.190 4.830 4.640 0.001 0.000 0.217 185 D C -0.015 176.279 176.300 -0.009 0.000 1.050 185 D CA 0.372 54.416 54.000 0.074 0.000 0.856 185 D CB 0.094 40.926 40.800 0.054 0.000 0.922 185 D HN 0.332 nan 8.370 nan 0.000 0.518 186 D N 0.020 120.444 120.400 0.041 0.000 2.326 186 D HA 0.442 5.083 4.640 0.001 0.000 0.251 186 D C -0.518 175.608 176.300 -0.290 0.000 1.023 186 D CA -0.461 53.457 54.000 -0.136 0.000 0.966 186 D CB 1.932 42.652 40.800 -0.132 0.000 1.156 186 D HN -0.172 nan 8.370 nan 0.000 0.494 187 L N 1.506 122.442 121.223 -0.479 0.000 2.476 187 L HA 0.294 4.635 4.340 0.001 0.000 0.269 187 L C -1.612 174.980 176.870 -0.463 0.000 0.965 187 L CA -0.566 54.066 54.840 -0.347 0.000 0.845 187 L CB 1.250 43.214 42.059 -0.158 0.000 1.259 187 L HN 0.256 nan 8.230 nan 0.000 0.403 188 Y N 3.575 123.950 120.300 0.124 0.000 2.331 188 Y HA 0.678 5.228 4.550 0.001 0.000 0.338 188 Y C -0.048 175.946 175.900 0.157 0.000 0.992 188 Y CA -1.109 57.088 58.100 0.162 0.000 1.121 188 Y CB 1.623 40.218 38.460 0.226 0.000 1.184 188 Y HN 0.184 nan 8.280 nan 0.000 0.469 189 V N 2.848 122.911 119.914 0.247 0.000 2.378 189 V HA 0.716 4.837 4.120 0.001 0.000 0.288 189 V C 0.194 176.437 176.094 0.249 0.000 1.016 189 V CA -0.813 61.620 62.300 0.221 0.000 0.840 189 V CB 1.411 33.332 31.823 0.164 0.000 0.994 189 V HN 0.963 nan 8.190 nan 0.000 0.431 190 G N 2.989 111.907 108.800 0.197 0.000 2.502 190 G HA2 0.673 4.633 3.960 0.001 0.000 0.311 190 G HA3 0.673 4.633 3.960 0.001 0.000 0.311 190 G C -0.326 174.642 174.900 0.114 0.000 1.270 190 G CA -0.177 45.002 45.100 0.132 0.000 0.948 190 G HN 0.873 nan 8.290 nan 0.000 0.487 191 S N 0.490 116.260 115.700 0.116 0.000 2.667 191 S HA 0.531 5.002 4.470 0.001 0.000 0.292 191 S C -0.459 174.160 174.600 0.031 0.000 1.126 191 S CA -0.806 57.456 58.200 0.104 0.000 0.881 191 S CB 2.366 65.690 63.200 0.205 0.000 1.132 191 S HN 0.284 nan 8.310 nan 0.000 0.492 192 D N 0.435 120.852 120.400 0.028 0.000 2.368 192 D HA 0.329 4.970 4.640 0.001 0.000 0.218 192 D C -0.170 176.142 176.300 0.020 0.000 1.112 192 D CA -0.138 53.863 54.000 0.002 0.000 0.834 192 D CB -0.029 40.769 40.800 -0.004 0.000 0.953 192 D HN 0.359 nan 8.370 nan 0.000 0.505 193 L N 1.597 122.857 121.223 0.060 0.000 2.439 193 L HA 0.216 4.557 4.340 0.001 0.000 0.269 193 L C 0.915 177.832 176.870 0.079 0.000 1.179 193 L CA -0.752 54.137 54.840 0.082 0.000 0.828 193 L CB 0.373 42.510 42.059 0.130 0.000 1.106 193 L HN 0.098 nan 8.230 nan 0.000 0.467 194 E N 1.750 121.992 120.200 0.070 0.000 2.398 194 E HA -0.032 4.319 4.350 0.001 0.000 0.263 194 E C 0.905 177.572 176.600 0.111 0.000 1.046 194 E CA -0.359 56.081 56.400 0.066 0.000 0.908 194 E CB 0.636 30.366 29.700 0.050 0.000 0.963 194 E HN 0.457 nan 8.360 nan 0.000 0.431 195 I N 3.240 123.872 120.570 0.104 0.000 2.203 195 I HA -0.359 3.812 4.170 0.001 0.000 0.237 195 I C 1.856 178.075 176.117 0.169 0.000 0.993 195 I CA 3.002 64.391 61.300 0.148 0.000 1.277 195 I CB -1.018 37.055 38.000 0.122 0.000 0.984 195 I HN 0.833 nan 8.210 nan 0.000 0.402 196 G N -1.366 107.500 108.800 0.110 0.000 2.459 196 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 196 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 196 G C 1.511 176.463 174.900 0.087 0.000 1.183 196 G CA 0.951 46.102 45.100 0.086 0.000 0.776 196 G HN 0.618 nan 8.290 nan 0.000 0.552 197 Q N -0.784 119.070 119.800 0.090 0.000 2.170 197 Q HA -0.104 4.237 4.340 0.001 0.000 0.203 197 Q C 2.171 178.237 176.000 0.109 0.000 0.976 197 Q CA 1.443 57.295 55.803 0.082 0.000 0.858 197 Q CB -0.189 28.591 28.738 0.071 0.000 0.907 197 Q HN 0.812 nan 8.270 nan 0.000 0.433 198 H N 0.736 119.838 119.070 0.053 0.000 2.261 198 H HA 0.015 4.572 4.556 0.001 0.000 0.301 198 H C 1.888 177.260 175.328 0.073 0.000 1.067 198 H CA 1.609 57.694 56.048 0.063 0.000 1.297 198 H CB 0.148 29.942 29.762 0.053 0.000 1.377 198 H HN -0.031 nan 8.280 nan 0.000 0.492 199 R N -0.295 120.147 120.500 -0.096 0.000 2.127 199 R HA -0.107 4.233 4.340 0.001 0.000 0.238 199 R C 2.388 178.644 176.300 -0.073 0.000 1.134 199 R CA 1.706 57.721 56.100 -0.143 0.000 0.975 199 R CB -0.402 29.916 30.300 0.029 0.000 0.865 199 R HN 0.651 nan 8.270 nan 0.000 0.447 200 T N -0.545 114.003 114.554 -0.009 0.000 2.777 200 T HA -0.127 4.224 4.350 0.001 0.000 0.266 200 T C 1.848 176.569 174.700 0.036 0.000 1.040 200 T CA 1.048 63.159 62.100 0.018 0.000 1.141 200 T CB -0.089 68.801 68.868 0.036 0.000 0.868 200 T HN 0.002 nan 8.240 nan 0.000 0.444 201 K N 0.756 121.184 120.400 0.046 0.000 2.148 201 K HA 0.113 4.434 4.320 0.001 0.000 0.204 201 K C 2.108 178.814 176.600 0.176 0.000 1.050 201 K CA 0.678 57.060 56.287 0.159 0.000 0.942 201 K CB -0.607 31.977 32.500 0.140 0.000 0.724 201 K HN 0.315 nan 8.250 nan 0.000 0.446 202 I N 1.070 121.613 120.570 -0.045 0.000 2.179 202 I HA -0.209 3.961 4.170 0.001 0.000 0.242 202 I C 2.206 178.260 176.117 -0.104 0.000 1.088 202 I CA 1.341 62.568 61.300 -0.122 0.000 1.357 202 I CB -0.928 36.934 38.000 -0.230 0.000 1.051 202 I HN 0.333 nan 8.210 nan 0.000 0.409 203 E N 0.913 121.078 120.200 -0.057 0.000 2.077 203 E HA -0.264 4.087 4.350 0.001 0.000 0.193 203 E C 2.033 178.620 176.600 -0.021 0.000 0.989 203 E CA 1.138 57.516 56.400 -0.037 0.000 0.800 203 E CB -0.086 29.607 29.700 -0.011 0.000 0.746 203 E HN 0.496 nan 8.360 nan 0.000 0.452 204 E N 0.186 120.409 120.200 0.038 0.000 2.209 204 E HA -0.172 4.179 4.350 0.001 0.000 0.196 204 E C 2.080 178.664 176.600 -0.027 0.000 0.993 204 E CA 0.498 56.969 56.400 0.118 0.000 0.819 204 E CB -0.004 29.870 29.700 0.289 0.000 0.745 204 E HN 0.171 nan 8.360 nan 0.000 0.477 205 L N 0.787 121.789 121.223 -0.367 0.000 2.102 205 L HA -0.060 4.281 4.340 0.001 0.000 0.202 205 L C 2.474 179.167 176.870 -0.295 0.000 1.076 205 L CA 1.530 55.883 54.840 -0.811 0.000 0.761 205 L CB -0.734 40.716 42.059 -1.014 0.000 0.921 205 L HN 0.101 nan 8.230 nan 0.000 0.444 206 R N -0.100 120.289 120.500 -0.186 0.000 2.083 206 R HA -0.224 4.117 4.340 0.001 0.000 0.237 206 R C 2.333 178.611 176.300 -0.036 0.000 1.137 206 R CA 2.118 58.156 56.100 -0.104 0.000 0.951 206 R CB -0.177 30.077 30.300 -0.077 0.000 0.851 206 R HN 0.515 nan 8.270 nan 0.000 0.434 207 Q N -0.910 118.889 119.800 -0.002 0.000 2.077 207 Q HA -0.289 4.052 4.340 0.001 0.000 0.206 207 Q C 2.150 178.219 176.000 0.115 0.000 0.989 207 Q CA 2.087 57.920 55.803 0.049 0.000 0.853 207 Q CB -0.436 28.339 28.738 0.061 0.000 0.907 207 Q HN 0.635 nan 8.270 nan 0.000 0.418 208 H N -0.130 118.951 119.070 0.018 0.000 2.352 208 H HA -0.153 4.404 4.556 0.001 0.000 0.299 208 H C 1.868 177.337 175.328 0.235 0.000 1.097 208 H CA 1.041 57.153 56.048 0.106 0.000 1.311 208 H CB 0.242 30.015 29.762 0.018 0.000 1.377 208 H HN 0.166 nan 8.280 nan 0.000 0.504 209 L N 0.592 121.761 121.223 -0.090 0.000 2.240 209 L HA -0.075 4.266 4.340 0.001 0.000 0.211 209 L C 2.358 179.328 176.870 0.167 0.000 1.106 209 L CA 0.631 55.412 54.840 -0.098 0.000 0.793 209 L CB -0.588 41.363 42.059 -0.179 0.000 0.927 209 L HN 0.281 nan 8.230 nan 0.000 0.446 210 L N 0.370 121.662 121.223 0.116 0.000 2.141 210 L HA -0.109 4.232 4.340 0.001 0.000 0.209 210 L C 2.136 179.074 176.870 0.114 0.000 1.094 210 L CA 1.197 56.097 54.840 0.099 0.000 0.763 210 L CB -0.558 41.526 42.059 0.042 0.000 0.908 210 L HN 0.381 nan 8.230 nan 0.000 0.437 211 R N -2.722 117.834 120.500 0.092 0.000 3.385 211 R HA -0.012 4.329 4.340 0.001 0.000 0.236 211 R C 0.098 176.142 176.300 -0.426 0.000 1.663 211 R CA 0.527 56.544 56.100 -0.139 0.000 1.444 211 R CB -0.722 29.457 30.300 -0.202 0.000 1.218 211 R HN 0.392 nan 8.270 nan 0.000 0.575 212 W N -0.819 120.480 121.300 -0.001 0.000 5.194 212 W HA 0.348 5.008 4.660 0.001 0.000 0.169 212 W C 0.328 176.872 176.519 0.042 0.000 1.110 212 W CA 0.282 57.636 57.345 0.015 0.000 1.861 212 W CB 0.566 30.027 29.460 0.001 0.000 0.573 212 W HN 0.195 nan 8.180 nan 0.000 1.069 213 G N 1.553 110.530 108.800 0.295 0.000 2.525 213 G HA2 0.336 4.296 3.960 0.001 0.000 0.234 213 G HA3 0.336 4.296 3.960 0.001 0.000 0.234 213 G C -1.531 173.450 174.900 0.136 0.000 3.352 213 G CA -0.893 44.330 45.100 0.205 0.000 0.863 213 G HN 0.049 nan 8.290 nan 0.000 0.529 214 L N 1.076 122.340 121.223 0.068 0.000 2.565 214 L HA 0.634 4.975 4.340 0.001 0.000 0.261 214 L C 0.758 177.609 176.870 -0.032 0.000 0.932 214 L CA -0.537 54.297 54.840 -0.010 0.000 0.878 214 L CB 2.115 44.145 42.059 -0.048 0.000 1.333 214 L HN 0.678 nan 8.230 nan 0.000 0.409 234 L N 0.676 121.876 121.223 -0.038 0.000 2.476 234 L HA 0.297 4.638 4.340 0.001 0.000 0.255 234 L C 0.623 177.310 176.870 -0.305 0.000 1.218 234 L CA 0.309 55.188 54.840 0.065 0.000 0.819 234 L CB 0.015 42.234 42.059 0.266 0.000 1.119 234 L HN 0.327 nan 8.230 nan 0.000 0.485 235 H N -1.425 117.792 119.070 0.245 0.000 2.823 235 H HA 0.193 4.749 4.556 0.001 0.000 0.222 235 H C -2.041 173.055 175.328 -0.387 0.000 1.414 235 H CA -0.843 55.209 56.048 0.005 0.000 1.289 235 H CB 0.228 30.033 29.762 0.072 0.000 1.970 235 H HN 0.410 nan 8.280 nan 0.000 0.517 236 P HA -0.294 nan 4.420 nan 0.000 0.220 236 P C 1.596 178.219 177.300 -1.129 0.000 1.155 236 P CA 1.980 64.162 63.100 -1.529 0.000 0.880 236 P CB 0.271 31.484 31.700 -0.811 0.000 0.790 237 D N 0.179 120.253 120.400 -0.544 0.000 2.392 237 D HA -0.167 4.474 4.640 0.001 0.000 0.228 237 D C 1.236 177.388 176.300 -0.246 0.000 1.003 237 D CA 0.977 54.785 54.000 -0.320 0.000 0.917 237 D CB -0.360 40.335 40.800 -0.175 0.000 0.890 237 D HN 0.345 nan 8.370 nan 0.000 0.532 238 K N -1.197 119.015 120.400 -0.313 0.000 2.358 238 K HA 0.130 4.450 4.320 0.001 0.000 0.197 238 K C 0.871 177.547 176.600 0.126 0.000 1.025 238 K CA -0.502 55.751 56.287 -0.058 0.000 1.104 238 K CB -0.004 32.531 32.500 0.059 0.000 0.855 238 K HN 0.042 nan 8.250 nan 0.000 0.531 239 W N 1.128 122.461 121.300 0.055 0.000 1.961 239 W HA 0.332 4.993 4.660 0.002 0.000 0.637 239 W C -0.256 176.295 176.519 0.053 0.000 1.366 239 W CA -0.799 56.585 57.345 0.065 0.000 1.140 239 W CB -1.502 28.012 29.460 0.090 0.000 3.438 239 W HN -0.174 nan 8.180 nan 0.000 0.760 240 T N 1.320 116.140 114.554 0.443 0.000 2.418 240 T HA 0.082 4.432 4.350 0.001 0.000 0.513 240 T C 0.033 174.836 174.700 0.171 0.000 0.816 240 T CA 0.432 62.695 62.100 0.270 0.000 3.342 240 T CB -1.400 67.630 68.868 0.269 0.000 1.249 240 T HN 0.355 nan 8.240 nan 0.000 0.319 241 V N 0.747 120.746 119.914 0.142 0.000 3.257 241 V HA 0.667 4.788 4.120 0.001 0.000 0.313 241 V C -1.214 174.936 176.094 0.093 0.000 1.630 241 V CA -1.380 60.988 62.300 0.112 0.000 0.960 241 V CB 1.389 33.271 31.823 0.098 0.000 1.001 241 V HN 0.611 nan 8.190 nan 0.000 0.485 242 Q N 0.355 120.205 119.800 0.083 0.000 2.057 242 Q HA -0.050 4.291 4.340 0.001 0.000 0.279 242 Q C -2.649 173.397 176.000 0.077 0.000 0.842 242 Q CA 0.202 56.044 55.803 0.065 0.000 0.524 242 Q CB -1.609 27.159 28.738 0.050 0.000 0.641 242 Q HN 0.654 nan 8.270 nan 0.000 0.321 243 P HA 0.436 nan 4.420 nan 0.000 0.323 243 P C -0.145 177.166 177.300 0.018 0.000 1.309 243 P CA -0.582 62.565 63.100 0.078 0.000 0.739 243 P CB 0.815 32.549 31.700 0.058 0.000 1.454 244 I N 0.870 121.429 120.570 -0.019 0.000 2.328 244 I HA 0.180 4.351 4.170 0.001 0.000 0.287 244 I C 0.451 176.476 176.117 -0.153 0.000 1.012 244 I CA -0.939 60.252 61.300 -0.182 0.000 1.195 244 I CB 0.654 38.459 38.000 -0.326 0.000 1.350 244 I HN 0.094 nan 8.210 nan 0.000 0.464 245 V N 5.865 125.690 119.914 -0.148 0.000 2.567 245 V HA 0.605 4.726 4.120 0.001 0.000 0.289 245 V C -0.055 175.980 176.094 -0.098 0.000 1.049 245 V CA -0.759 61.488 62.300 -0.089 0.000 0.969 245 V CB 1.734 33.524 31.823 -0.055 0.000 0.995 245 V HN 0.489 nan 8.190 nan 0.000 0.471 246 L N 5.264 126.469 121.223 -0.030 0.000 2.343 246 L HA 0.555 4.895 4.340 0.001 0.000 0.275 246 L C -1.852 175.057 176.870 0.065 0.000 1.056 246 L CA -1.829 53.025 54.840 0.023 0.000 0.804 246 L CB 1.804 43.907 42.059 0.074 0.000 1.203 246 L HN 0.570 nan 8.230 nan 0.000 0.440 247 P HA 0.118 nan 4.420 nan 0.000 0.269 247 P C -1.202 176.191 177.300 0.156 0.000 1.209 247 P CA -0.190 62.939 63.100 0.048 0.000 0.776 247 P CB 0.865 32.550 31.700 -0.025 0.000 0.876 248 E N 1.422 121.644 120.200 0.038 0.000 2.248 248 E HA 0.483 4.834 4.350 0.001 0.000 0.267 248 E C -0.580 175.951 176.600 -0.115 0.000 0.877 248 E CA -0.735 55.745 56.400 0.134 0.000 0.759 248 E CB 2.343 32.111 29.700 0.113 0.000 1.182 248 E HN 0.324 nan 8.360 nan 0.000 0.418 249 K N 1.313 121.604 120.400 -0.182 0.000 2.477 249 K HA 0.191 4.511 4.320 0.001 0.000 0.255 249 K C -0.340 176.179 176.600 -0.135 0.000 0.952 249 K CA -0.658 55.386 56.287 -0.404 0.000 0.826 249 K CB 1.665 33.546 32.500 -1.032 0.000 1.331 249 K HN 0.325 nan 8.250 nan 0.000 0.437 250 D N 0.189 120.519 120.400 -0.116 0.000 2.092 250 D HA -0.063 4.577 4.640 0.001 0.000 0.193 250 D C -0.085 176.238 176.300 0.039 0.000 0.994 250 D CA 1.476 55.467 54.000 -0.016 0.000 0.828 250 D CB 0.250 41.029 40.800 -0.036 0.000 0.963 250 D HN 0.223 nan 8.370 nan 0.000 0.450 251 S N -1.375 114.304 115.700 -0.036 0.000 2.548 251 S HA 0.496 4.966 4.470 0.001 0.000 0.286 251 S C -1.260 173.309 174.600 -0.051 0.000 1.098 251 S CA -0.803 57.436 58.200 0.065 0.000 0.930 251 S CB 1.506 64.728 63.200 0.036 0.000 1.070 251 S HN 0.094 nan 8.310 nan 0.000 0.480 252 W N 1.440 122.737 121.300 -0.004 0.000 2.627 252 W HA 0.602 5.263 4.660 0.002 0.000 0.339 252 W C 0.583 177.100 176.519 -0.003 0.000 1.058 252 W CA -0.498 56.845 57.345 -0.004 0.000 1.223 252 W CB 1.163 30.622 29.460 -0.002 0.000 1.389 252 W HN 0.678 nan 8.180 nan 0.000 0.541 253 T N -2.558 112.105 114.554 0.181 0.000 2.949 253 T HA 0.382 4.732 4.350 0.001 0.000 0.287 253 T C 0.676 175.452 174.700 0.127 0.000 1.034 253 T CA -0.767 61.399 62.100 0.111 0.000 1.018 253 T CB 1.119 70.013 68.868 0.044 0.000 1.135 253 T HN 0.186 nan 8.240 nan 0.000 0.532 254 V N 1.531 121.494 119.914 0.082 0.000 2.324 254 V HA -0.227 3.894 4.120 0.001 0.000 0.250 254 V C 2.807 178.945 176.094 0.073 0.000 1.060 254 V CA 2.407 64.749 62.300 0.069 0.000 1.042 254 V CB -1.207 30.642 31.823 0.044 0.000 0.650 254 V HN 1.008 nan 8.190 nan 0.000 0.450 255 N N -0.115 118.622 118.700 0.061 0.000 2.062 255 N HA -0.214 4.526 4.740 0.001 0.000 0.191 255 N C 1.652 177.210 175.510 0.079 0.000 1.042 255 N CA 1.662 54.744 53.050 0.053 0.000 0.845 255 N CB -0.150 38.354 38.487 0.028 0.000 1.024 255 N HN 0.421 nan 8.380 nan 0.000 0.424 256 D N 1.186 121.639 120.400 0.088 0.000 2.154 256 D HA -0.203 4.438 4.640 0.001 0.000 0.190 256 D C 2.090 178.539 176.300 0.249 0.000 1.003 256 D CA 1.165 55.238 54.000 0.122 0.000 0.849 256 D CB -0.415 40.437 40.800 0.087 0.000 0.942 256 D HN 0.422 nan 8.370 nan 0.000 0.446 257 I N 0.724 121.465 120.570 0.285 0.000 2.142 257 I HA -0.307 3.864 4.170 0.001 0.000 0.240 257 I C 2.643 178.839 176.117 0.131 0.000 1.078 257 I CA 1.159 62.590 61.300 0.219 0.000 1.343 257 I CB -0.324 37.758 38.000 0.137 0.000 1.046 257 I HN 0.027 nan 8.210 nan 0.000 0.405 258 Q N 0.686 120.544 119.800 0.097 0.000 2.096 258 Q HA -0.272 4.068 4.340 0.001 0.000 0.208 258 Q C 2.262 178.306 176.000 0.073 0.000 0.993 258 Q CA 1.772 57.616 55.803 0.068 0.000 0.862 258 Q CB -0.171 28.599 28.738 0.052 0.000 0.915 258 Q HN 0.466 nan 8.270 nan 0.000 0.416 259 K N 0.424 120.872 120.400 0.081 0.000 2.002 259 K HA -0.169 4.151 4.320 0.001 0.000 0.209 259 K C 2.190 178.854 176.600 0.106 0.000 1.048 259 K CA 1.173 57.505 56.287 0.076 0.000 0.930 259 K CB -0.388 32.149 32.500 0.062 0.000 0.714 259 K HN 0.136 nan 8.250 nan 0.000 0.438 260 L N 1.307 122.616 121.223 0.143 0.000 2.043 260 L HA -0.216 4.124 4.340 0.001 0.000 0.212 260 L C 2.117 179.068 176.870 0.134 0.000 1.075 260 L CA 1.369 56.310 54.840 0.169 0.000 0.752 260 L CB -0.180 42.019 42.059 0.234 0.000 0.891 260 L HN -0.070 nan 8.230 nan 0.000 0.432 261 V N -0.157 119.815 119.914 0.096 0.000 2.427 261 V HA -0.166 3.955 4.120 0.001 0.000 0.248 261 V C 2.569 178.709 176.094 0.076 0.000 1.051 261 V CA 1.683 64.023 62.300 0.066 0.000 1.048 261 V CB -1.284 30.563 31.823 0.041 0.000 0.666 261 V HN 0.657 nan 8.190 nan 0.000 0.456 262 G N -0.262 108.589 108.800 0.084 0.000 2.408 262 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 262 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 262 G C 1.665 176.644 174.900 0.132 0.000 1.150 262 G CA 0.719 45.871 45.100 0.087 0.000 0.776 262 G HN 0.463 nan 8.290 nan 0.000 0.542 263 K N -0.057 120.446 120.400 0.171 0.000 2.002 263 K HA 0.069 4.389 4.320 0.001 0.000 0.209 263 K C 2.490 179.249 176.600 0.264 0.000 1.048 263 K CA 0.944 57.409 56.287 0.298 0.000 0.930 263 K CB -0.331 32.393 32.500 0.374 0.000 0.714 263 K HN 0.251 nan 8.250 nan 0.000 0.438 264 L N 0.920 122.267 121.223 0.207 0.000 2.093 264 L HA -0.181 4.160 4.340 0.001 0.000 0.208 264 L C 2.286 179.143 176.870 -0.022 0.000 1.085 264 L CA 1.071 55.965 54.840 0.091 0.000 0.755 264 L CB -0.607 41.507 42.059 0.091 0.000 0.904 264 L HN 0.245 nan 8.230 nan 0.000 0.435 265 N N -0.241 118.471 118.700 0.020 0.000 2.104 265 N HA -0.270 4.471 4.740 0.001 0.000 0.190 265 N C 1.689 177.172 175.510 -0.045 0.000 1.024 265 N CA 1.442 54.484 53.050 -0.015 0.000 0.853 265 N CB -0.258 38.241 38.487 0.020 0.000 1.008 265 N HN 0.387 nan 8.380 nan 0.000 0.424 266 W N 1.042 122.230 121.300 -0.188 0.000 2.381 266 W HA 0.107 4.768 4.660 0.002 0.000 0.301 266 W C 2.209 178.477 176.519 -0.419 0.000 1.205 266 W CA 1.850 59.047 57.345 -0.246 0.000 1.285 266 W CB -0.700 28.648 29.460 -0.188 0.000 1.133 266 W HN 0.123 nan 8.180 nan 0.000 0.521 267 A N 0.316 122.868 122.820 -0.447 0.000 2.076 267 A HA -0.253 4.068 4.320 0.001 0.000 0.220 267 A C 2.048 179.308 177.584 -0.539 0.000 1.160 267 A CA 2.389 53.928 52.037 -0.829 0.000 0.653 267 A CB -1.475 16.927 19.000 -0.997 0.000 0.801 267 A HN 0.436 nan 8.150 nan 0.000 0.455 268 S N -0.453 115.009 115.700 -0.396 0.000 2.442 268 S HA -0.229 4.242 4.470 0.001 0.000 0.236 268 S C 1.671 176.021 174.600 -0.417 0.000 1.007 268 S CA 1.253 59.274 58.200 -0.299 0.000 0.965 268 S CB -0.531 62.540 63.200 -0.215 0.000 0.773 268 S HN 0.720 nan 8.310 nan 0.000 0.504 269 Q N 0.253 119.649 119.800 -0.674 0.000 2.364 269 Q HA 0.114 4.454 4.340 0.001 0.000 0.209 269 Q C 1.675 177.195 176.000 -0.799 0.000 0.977 269 Q CA 1.301 56.573 55.803 -0.884 0.000 0.885 269 Q CB -0.315 27.529 28.738 -1.490 0.000 0.941 269 Q HN 0.695 nan 8.270 nan 0.000 0.464 270 I N -2.044 118.155 120.570 -0.618 0.000 3.136 270 I HA -0.039 4.131 4.170 0.001 0.000 0.262 270 I C -0.155 175.675 176.117 -0.479 0.000 1.132 270 I CA 0.225 61.227 61.300 -0.498 0.000 1.450 270 I CB 0.564 38.323 38.000 -0.402 0.000 1.315 270 I HN -0.020 nan 8.210 nan 0.000 0.460 271 Y N 1.143 121.297 120.300 -0.244 0.000 2.712 271 Y HA 0.347 4.897 4.550 0.001 0.000 0.328 271 Y C -2.052 173.744 175.900 -0.174 0.000 0.995 271 Y CA -2.511 55.486 58.100 -0.172 0.000 1.283 271 Y CB 0.184 38.573 38.460 -0.119 0.000 1.092 271 Y HN -0.075 nan 8.280 nan 0.000 0.519 272 P HA -0.097 nan 4.420 nan 0.000 0.231 272 P C 1.494 178.769 177.300 -0.041 0.000 1.158 272 P CA 1.189 64.241 63.100 -0.080 0.000 0.763 272 P CB 0.368 32.009 31.700 -0.098 0.000 0.805 273 G N -0.867 107.931 108.800 -0.003 0.000 2.813 273 G HA2 -0.015 3.946 3.960 0.001 0.000 0.209 273 G HA3 -0.015 3.946 3.960 0.001 0.000 0.209 273 G C 0.536 175.424 174.900 -0.020 0.000 1.150 273 G CA -0.151 44.944 45.100 -0.007 0.000 0.785 273 G HN 0.246 nan 8.290 nan 0.000 0.535 274 I N 0.920 121.476 120.570 -0.023 0.000 2.471 274 I HA 0.207 4.378 4.170 0.001 0.000 0.286 274 I C 0.065 176.156 176.117 -0.043 0.000 1.079 274 I CA 0.200 61.478 61.300 -0.037 0.000 1.398 274 I CB 1.062 39.037 38.000 -0.042 0.000 1.403 274 I HN -0.110 nan 8.210 nan 0.000 0.530 275 K N 4.706 125.083 120.400 -0.038 0.000 2.316 275 K HA 0.478 4.799 4.320 0.001 0.000 0.251 275 K C 0.188 176.766 176.600 -0.037 0.000 0.934 275 K CA -0.574 55.690 56.287 -0.039 0.000 0.802 275 K CB 2.524 35.002 32.500 -0.037 0.000 1.171 275 K HN 0.504 nan 8.250 nan 0.000 0.426 276 V N -0.804 119.089 119.914 -0.035 0.000 3.330 276 V HA 0.162 4.283 4.120 0.001 0.000 0.309 276 V C 1.228 177.303 176.094 -0.032 0.000 1.481 276 V CA -0.336 61.945 62.300 -0.032 0.000 1.068 276 V CB 0.223 32.035 31.823 -0.019 0.000 0.935 276 V HN 0.585 nan 8.190 nan 0.000 0.453 277 R N 0.834 121.314 120.500 -0.033 0.000 2.080 277 R HA -0.073 4.267 4.340 0.001 0.000 0.236 277 R C 2.171 178.451 176.300 -0.033 0.000 1.137 277 R CA 1.763 57.845 56.100 -0.030 0.000 0.943 277 R CB -0.828 29.455 30.300 -0.029 0.000 0.846 277 R HN 0.497 nan 8.270 nan 0.000 0.431 278 Q N 0.848 120.624 119.800 -0.039 0.000 2.096 278 Q HA -0.067 4.274 4.340 0.001 0.000 0.204 278 Q C 2.430 178.399 176.000 -0.052 0.000 0.982 278 Q CA 1.225 57.001 55.803 -0.045 0.000 0.850 278 Q CB -0.459 28.248 28.738 -0.052 0.000 0.901 278 Q HN 0.370 nan 8.270 nan 0.000 0.422 279 L N -0.607 120.580 121.223 -0.059 0.000 1.994 279 L HA -0.218 4.122 4.340 0.001 0.000 0.208 279 L C 2.614 179.461 176.870 -0.039 0.000 1.071 279 L CA 1.079 55.880 54.840 -0.065 0.000 0.745 279 L CB -0.674 41.343 42.059 -0.069 0.000 0.892 279 L HN 0.206 nan 8.230 nan 0.000 0.431 280 C N 0.020 119.304 119.300 -0.027 0.000 2.400 280 C HA -0.176 4.285 4.460 0.001 0.000 0.291 280 C C 2.723 177.704 174.990 -0.015 0.000 1.372 280 C CA 0.849 59.858 59.018 -0.015 0.000 1.800 280 C CB -1.067 26.664 27.740 -0.013 0.000 1.869 280 C HN 0.419 nan 8.230 nan 0.000 0.533 281 K N 0.420 120.808 120.400 -0.021 0.000 2.076 281 K HA 0.024 4.345 4.320 0.001 0.000 0.204 281 K C 1.656 178.246 176.600 -0.016 0.000 1.051 281 K CA 0.950 57.226 56.287 -0.018 0.000 0.949 281 K CB -0.228 32.259 32.500 -0.022 0.000 0.726 281 K HN 0.450 nan 8.250 nan 0.000 0.443 282 L N 0.766 121.976 121.223 -0.022 0.000 2.353 282 L HA -0.135 4.206 4.340 0.001 0.000 0.220 282 L C 1.392 178.260 176.870 -0.003 0.000 1.133 282 L CA 0.408 55.238 54.840 -0.017 0.000 0.798 282 L CB -0.125 41.915 42.059 -0.032 0.000 0.922 282 L HN 0.075 nan 8.230 nan 0.000 0.445 283 L N -0.166 121.056 121.223 -0.002 0.000 2.741 283 L HA 0.145 4.485 4.340 0.001 0.000 0.237 283 L C 0.965 177.838 176.870 0.005 0.000 1.178 283 L CA 0.379 55.223 54.840 0.007 0.000 0.973 283 L CB -0.436 41.629 42.059 0.010 0.000 1.255 283 L HN 0.100 nan 8.230 nan 0.000 0.498 284 R N 0.983 121.484 120.500 0.001 0.000 2.210 284 R HA 0.534 4.875 4.340 0.001 0.000 0.338 284 R C -0.436 175.866 176.300 0.003 0.000 1.062 284 R CA 0.673 56.773 56.100 0.001 0.000 0.902 284 R CB 0.015 30.313 30.300 -0.003 0.000 1.050 284 R HN 0.258 nan 8.270 nan 0.000 0.461 285 G N 1.996 110.799 108.800 0.005 0.000 2.379 285 G HA2 -0.133 3.827 3.960 0.001 0.000 0.609 285 G HA3 -0.133 3.827 3.960 0.001 0.000 0.609 285 G C -0.967 173.938 174.900 0.008 0.000 1.484 285 G CA -0.838 44.266 45.100 0.006 0.000 0.921 285 G HN 0.359 nan 8.290 nan 0.000 0.658 286 T N 3.192 117.750 114.554 0.007 0.000 3.766 286 T HA 0.327 4.678 4.350 0.001 0.000 0.327 286 T C 0.731 175.436 174.700 0.009 0.000 1.595 286 T CA -0.033 62.071 62.100 0.008 0.000 1.204 286 T CB -0.220 68.651 68.868 0.006 0.000 1.245 286 T HN 0.529 nan 8.240 nan 0.000 0.875 287 K N 1.033 121.440 120.400 0.011 0.000 2.106 287 K HA 0.733 5.053 4.320 0.001 0.000 0.246 287 K C 0.207 176.815 176.600 0.013 0.000 0.987 287 K CA -0.955 55.339 56.287 0.013 0.000 0.904 287 K CB 1.138 33.648 32.500 0.016 0.000 1.071 287 K HN 0.323 nan 8.250 nan 0.000 0.453 288 A N 1.517 124.344 122.820 0.013 0.000 2.477 288 A HA 0.056 4.377 4.320 0.001 0.000 0.246 288 A C 1.101 178.694 177.584 0.015 0.000 1.078 288 A CA -0.372 51.672 52.037 0.012 0.000 0.770 288 A CB -0.004 19.002 19.000 0.009 0.000 1.011 288 A HN 0.663 nan 8.150 nan 0.000 0.494 289 L N 2.563 123.794 121.223 0.014 0.000 2.081 289 L HA -0.169 4.172 4.340 0.001 0.000 0.212 289 L C 2.789 179.669 176.870 0.018 0.000 1.080 289 L CA 2.803 57.653 54.840 0.017 0.000 0.754 289 L CB -0.721 41.345 42.059 0.013 0.000 0.893 289 L HN 0.922 nan 8.230 nan 0.000 0.433 290 T N -3.799 110.762 114.554 0.011 0.000 3.148 290 T HA -0.027 4.324 4.350 0.001 0.000 0.253 290 T C 0.780 175.489 174.700 0.014 0.000 1.134 290 T CA -0.235 61.870 62.100 0.008 0.000 1.051 290 T CB -0.453 68.416 68.868 0.001 0.000 0.959 290 T HN 0.346 nan 8.240 nan 0.000 0.525 291 E N 1.610 121.822 120.200 0.020 0.000 2.344 291 E HA 0.293 4.644 4.350 0.001 0.000 0.270 291 E C -0.594 176.029 176.600 0.038 0.000 1.021 291 E CA -0.544 55.871 56.400 0.024 0.000 0.887 291 E CB 0.726 30.439 29.700 0.022 0.000 0.997 291 E HN 0.100 nan 8.360 nan 0.000 0.429 292 V N 6.009 125.946 119.914 0.039 0.000 2.637 292 V HA 0.093 4.213 4.120 0.001 0.000 0.296 292 V C 0.265 176.398 176.094 0.065 0.000 1.046 292 V CA -0.187 62.149 62.300 0.059 0.000 1.066 292 V CB 0.723 32.576 31.823 0.049 0.000 0.968 292 V HN 0.575 nan 8.190 nan 0.000 0.483 293 I N 6.346 126.972 120.570 0.093 0.000 2.474 293 I HA 0.482 4.653 4.170 0.001 0.000 0.294 293 I C -2.247 173.914 176.117 0.073 0.000 1.005 293 I CA -2.741 58.601 61.300 0.070 0.000 1.113 293 I CB 1.736 39.774 38.000 0.064 0.000 1.289 293 I HN 0.455 nan 8.210 nan 0.000 0.436 294 P HA 0.363 nan 4.420 nan 0.000 0.290 294 P C -0.794 176.502 177.300 -0.007 0.000 1.276 294 P CA -0.517 62.601 63.100 0.029 0.000 0.808 294 P CB 1.500 33.212 31.700 0.020 0.000 0.966 295 L N 3.470 124.676 121.223 -0.029 0.000 2.315 295 L HA 0.168 4.508 4.340 0.001 0.000 0.283 295 L C 1.275 178.106 176.870 -0.065 0.000 1.089 295 L CA -0.258 54.529 54.840 -0.089 0.000 0.833 295 L CB 0.570 42.528 42.059 -0.167 0.000 1.170 295 L HN 0.489 nan 8.230 nan 0.000 0.442 296 T N -0.888 113.627 114.554 -0.065 0.000 2.919 296 T HA 0.064 4.415 4.350 0.001 0.000 0.302 296 T C 1.130 175.796 174.700 -0.057 0.000 1.031 296 T CA -0.837 61.233 62.100 -0.049 0.000 1.127 296 T CB 1.387 70.228 68.868 -0.044 0.000 0.952 296 T HN 0.486 nan 8.240 nan 0.000 0.540 297 E N 1.930 122.105 120.200 -0.042 0.000 2.097 297 E HA -0.206 4.145 4.350 0.001 0.000 0.196 297 E C 1.971 178.544 176.600 -0.046 0.000 1.000 297 E CA 1.725 58.101 56.400 -0.040 0.000 0.804 297 E CB -0.115 29.569 29.700 -0.027 0.000 0.740 297 E HN 0.852 nan 8.360 nan 0.000 0.454 298 E N 0.568 120.742 120.200 -0.043 0.000 2.085 298 E HA -0.177 4.174 4.350 0.001 0.000 0.194 298 E C 2.053 178.618 176.600 -0.058 0.000 0.994 298 E CA 1.149 57.523 56.400 -0.044 0.000 0.801 298 E CB -0.133 29.544 29.700 -0.037 0.000 0.743 298 E HN 0.224 nan 8.360 nan 0.000 0.453 299 A N 1.706 124.482 122.820 -0.074 0.000 1.854 299 A HA -0.179 4.142 4.320 0.001 0.000 0.214 299 A C 1.970 179.483 177.584 -0.120 0.000 1.192 299 A CA 1.034 53.010 52.037 -0.101 0.000 0.611 299 A CB -0.367 18.559 19.000 -0.124 0.000 0.832 299 A HN 0.115 nan 8.150 nan 0.000 0.442 300 E N -0.617 119.511 120.200 -0.120 0.000 2.171 300 E HA -0.242 4.109 4.350 0.001 0.000 0.197 300 E C 1.883 178.433 176.600 -0.084 0.000 0.997 300 E CA 1.394 57.724 56.400 -0.117 0.000 0.810 300 E CB -0.291 29.357 29.700 -0.087 0.000 0.738 300 E HN 0.526 nan 8.360 nan 0.000 0.467 301 L N 1.303 122.487 121.223 -0.065 0.000 2.044 301 L HA -0.134 4.207 4.340 0.001 0.000 0.205 301 L C 2.256 179.095 176.870 -0.053 0.000 1.075 301 L CA 1.891 56.702 54.840 -0.049 0.000 0.747 301 L CB -0.417 41.619 42.059 -0.038 0.000 0.903 301 L HN 0.011 nan 8.230 nan 0.000 0.435 302 E N -0.495 119.668 120.200 -0.061 0.000 2.130 302 E HA -0.269 4.082 4.350 0.001 0.000 0.196 302 E C 2.257 178.818 176.600 -0.065 0.000 0.998 302 E CA 1.660 58.025 56.400 -0.059 0.000 0.806 302 E CB -0.214 29.448 29.700 -0.064 0.000 0.738 302 E HN 0.612 nan 8.360 nan 0.000 0.459 303 L N 0.107 121.278 121.223 -0.087 0.000 1.973 303 L HA -0.178 4.163 4.340 0.001 0.000 0.208 303 L C 2.598 179.434 176.870 -0.056 0.000 1.073 303 L CA 1.374 56.160 54.840 -0.090 0.000 0.746 303 L CB -0.475 41.495 42.059 -0.147 0.000 0.891 303 L HN 0.230 nan 8.230 nan 0.000 0.433 304 A N -0.551 122.238 122.820 -0.051 0.000 1.903 304 A HA -0.310 4.010 4.320 0.001 0.000 0.219 304 A C 2.073 179.639 177.584 -0.030 0.000 1.191 304 A CA 2.158 54.176 52.037 -0.032 0.000 0.638 304 A CB -0.751 18.233 19.000 -0.027 0.000 0.823 304 A HN 0.561 nan 8.150 nan 0.000 0.451 305 E N -0.510 119.669 120.200 -0.034 0.000 2.160 305 E HA -0.202 4.149 4.350 0.001 0.000 0.195 305 E C 1.611 178.187 176.600 -0.040 0.000 0.991 305 E CA 1.204 57.585 56.400 -0.032 0.000 0.810 305 E CB -0.173 29.508 29.700 -0.030 0.000 0.742 305 E HN 0.600 nan 8.360 nan 0.000 0.466 306 N N 0.385 119.059 118.700 -0.043 0.000 2.300 306 N HA -0.057 4.684 4.740 0.001 0.000 0.179 306 N C 1.626 177.101 175.510 -0.059 0.000 1.016 306 N CA 0.605 53.624 53.050 -0.050 0.000 0.876 306 N CB -0.126 38.343 38.487 -0.029 0.000 0.979 306 N HN 0.134 nan 8.380 nan 0.000 0.432 307 R N 0.896 121.372 120.500 -0.039 0.000 2.096 307 R HA -0.022 4.319 4.340 0.001 0.000 0.235 307 R C 1.582 177.854 176.300 -0.048 0.000 1.127 307 R CA 0.808 56.888 56.100 -0.033 0.000 0.968 307 R CB 0.016 30.307 30.300 -0.014 0.000 0.861 307 R HN 0.241 nan 8.270 nan 0.000 0.440 308 E N 0.845 121.018 120.200 -0.045 0.000 2.047 308 E HA -0.124 4.227 4.350 0.001 0.000 0.191 308 E C 2.081 178.640 176.600 -0.068 0.000 0.987 308 E CA 0.981 57.358 56.400 -0.038 0.000 0.799 308 E CB -0.128 29.559 29.700 -0.022 0.000 0.752 308 E HN 0.358 nan 8.360 nan 0.000 0.449 309 I N 0.951 121.458 120.570 -0.106 0.000 2.335 309 I HA -0.257 3.914 4.170 0.001 0.000 0.251 309 I C 2.275 178.156 176.117 -0.392 0.000 1.129 309 I CA 0.903 62.092 61.300 -0.185 0.000 1.402 309 I CB -0.202 37.689 38.000 -0.183 0.000 1.069 309 I HN 0.032 nan 8.210 nan 0.000 0.424 310 L N 0.066 121.087 121.223 -0.336 0.000 2.418 310 L HA -0.055 4.286 4.340 0.001 0.000 0.218 310 L C 2.298 179.089 176.870 -0.133 0.000 1.125 310 L CA 0.406 55.043 54.840 -0.338 0.000 0.835 310 L CB -0.491 41.472 42.059 -0.161 0.000 0.953 310 L HN 0.120 nan 8.230 nan 0.000 0.454 311 K N 0.815 121.169 120.400 -0.077 0.000 2.362 311 K HA -0.062 4.259 4.320 0.001 0.000 0.202 311 K C 0.101 176.719 176.600 0.029 0.000 1.045 311 K CA 1.040 57.319 56.287 -0.012 0.000 0.936 311 K CB 0.033 32.531 32.500 -0.002 0.000 0.747 311 K HN 0.460 nan 8.250 nan 0.000 0.467 312 E N -0.721 119.505 120.200 0.044 0.000 2.390 312 E HA 0.270 4.621 4.350 0.001 0.000 0.277 312 E C -2.730 174.001 176.600 0.218 0.000 0.939 312 E CA -2.120 54.351 56.400 0.117 0.000 0.769 312 E CB 2.366 32.141 29.700 0.124 0.000 1.251 312 E HN -0.187 nan 8.360 nan 0.000 0.450 313 P HA -0.043 nan 4.420 nan 0.000 0.269 313 P C -0.597 176.801 177.300 0.163 0.000 1.217 313 P CA -0.255 62.997 63.100 0.253 0.000 0.783 313 P CB 0.477 32.278 31.700 0.169 0.000 0.898 314 V N 2.938 122.820 119.914 -0.054 0.000 2.999 314 V HA -0.021 4.100 4.120 0.001 0.000 0.307 314 V C 0.337 176.368 176.094 -0.106 0.000 1.084 314 V CA 0.283 62.396 62.300 -0.312 0.000 1.155 314 V CB -0.195 31.270 31.823 -0.597 0.000 0.975 314 V HN 0.495 nan 8.190 nan 0.000 0.490 315 H N 3.434 122.451 119.070 -0.088 0.000 2.544 315 H HA 0.491 5.048 4.556 0.001 0.000 0.365 315 H C 1.241 176.479 175.328 -0.149 0.000 1.268 315 H CA -0.157 55.841 56.048 -0.083 0.000 1.400 315 H CB 0.835 30.583 29.762 -0.023 0.000 1.538 315 H HN 1.048 nan 8.280 nan 0.000 0.597 316 G N 0.392 109.147 108.800 -0.075 0.000 2.153 316 G HA2 -0.274 3.687 3.960 0.001 0.000 0.252 316 G HA3 -0.274 3.687 3.960 0.001 0.000 0.252 316 G C -0.153 174.486 174.900 -0.434 0.000 0.994 316 G CA 0.322 45.303 45.100 -0.199 0.000 0.698 316 G HN 0.430 nan 8.290 nan 0.000 0.521 317 V N 0.836 120.419 119.914 -0.552 0.000 2.368 317 V HA 0.589 4.709 4.120 0.001 0.000 0.266 317 V C -0.286 175.473 176.094 -0.559 0.000 1.045 317 V CA -0.582 61.493 62.300 -0.375 0.000 0.899 317 V CB 0.259 31.985 31.823 -0.162 0.000 1.006 317 V HN 0.245 nan 8.190 nan 0.000 0.470 318 Y N 3.717 124.064 120.300 0.079 0.000 2.373 318 Y HA 0.423 4.974 4.550 0.001 0.000 0.336 318 Y C -0.183 175.776 175.900 0.099 0.000 0.979 318 Y CA -1.487 56.673 58.100 0.101 0.000 1.080 318 Y CB 1.287 39.783 38.460 0.060 0.000 1.190 318 Y HN 0.665 nan 8.280 nan 0.000 0.446 319 Y N 3.318 123.718 120.300 0.166 0.000 2.712 319 Y HA 0.175 4.725 4.550 0.001 0.000 0.333 319 Y C -0.250 175.663 175.900 0.022 0.000 1.225 319 Y CA -0.028 58.081 58.100 0.016 0.000 1.499 319 Y CB 0.473 38.943 38.460 0.016 0.000 1.288 319 Y HN 0.611 nan 8.280 nan 0.000 0.575 320 D N 8.049 128.056 120.400 -0.655 0.000 2.453 320 D HA 0.324 4.965 4.640 0.001 0.000 0.238 320 D C -2.294 173.419 176.300 -0.978 0.000 1.088 320 D CA -2.605 51.014 54.000 -0.636 0.000 0.854 320 D CB 1.928 42.569 40.800 -0.266 0.000 1.076 320 D HN 0.319 nan 8.370 nan 0.000 0.533 321 P HA -0.081 nan 4.420 nan 0.000 0.225 321 P C 0.815 177.989 177.300 -0.210 0.000 1.148 321 P CA 0.824 63.603 63.100 -0.534 0.000 0.779 321 P CB 0.227 31.784 31.700 -0.237 0.000 0.780 322 S N -2.803 112.773 115.700 -0.206 0.000 2.597 322 S HA 0.194 4.665 4.470 0.001 0.000 0.224 322 S C 0.587 175.124 174.600 -0.105 0.000 0.955 322 S CA -0.193 57.938 58.200 -0.116 0.000 0.933 322 S CB -0.398 62.745 63.200 -0.095 0.000 0.788 322 S HN 0.018 nan 8.310 nan 0.000 0.488 323 K N 1.539 121.860 120.400 -0.131 0.000 2.316 323 K HA 0.344 4.665 4.320 0.001 0.000 0.251 323 K C -1.210 175.344 176.600 -0.076 0.000 0.934 323 K CA -0.762 55.468 56.287 -0.096 0.000 0.802 323 K CB 1.174 33.612 32.500 -0.102 0.000 1.171 323 K HN 0.179 nan 8.250 nan 0.000 0.426 324 D N 2.110 122.467 120.400 -0.071 0.000 2.455 324 D HA -0.019 4.622 4.640 0.001 0.000 0.241 324 D C -0.279 175.948 176.300 -0.121 0.000 1.138 324 D CA 0.150 54.101 54.000 -0.081 0.000 0.877 324 D CB 0.865 41.615 40.800 -0.082 0.000 1.187 324 D HN 0.088 nan 8.370 nan 0.000 0.451 325 L N 3.397 124.527 121.223 -0.154 0.000 2.350 325 L HA 0.403 4.743 4.340 0.001 0.000 0.275 325 L C -0.411 176.253 176.870 -0.343 0.000 1.099 325 L CA -0.125 54.554 54.840 -0.269 0.000 0.808 325 L CB 0.862 42.732 42.059 -0.316 0.000 1.149 325 L HN 0.275 nan 8.230 nan 0.000 0.442 326 I N 3.695 123.963 120.570 -0.504 0.000 2.647 326 I HA 0.687 4.858 4.170 0.001 0.000 0.295 326 I C -0.689 174.935 176.117 -0.822 0.000 1.078 326 I CA -0.839 60.069 61.300 -0.654 0.000 1.048 326 I CB 2.050 39.596 38.000 -0.756 0.000 1.239 326 I HN 0.683 nan 8.210 nan 0.000 0.421 327 A N 4.542 126.886 122.820 -0.794 0.000 2.357 327 A HA 0.562 4.882 4.320 0.001 0.000 0.295 327 A C -0.891 176.341 177.584 -0.586 0.000 1.121 327 A CA -0.463 51.098 52.037 -0.793 0.000 0.742 327 A CB 1.216 19.476 19.000 -1.234 0.000 1.181 327 A HN 0.771 nan 8.150 nan 0.000 0.454 328 E N 3.089 123.116 120.200 -0.289 0.000 2.166 328 E HA 0.653 5.003 4.350 0.001 0.000 0.275 328 E C -1.113 175.512 176.600 0.041 0.000 0.941 328 E CA -0.466 55.890 56.400 -0.074 0.000 0.784 328 E CB 0.979 30.709 29.700 0.049 0.000 1.115 328 E HN 0.648 nan 8.360 nan 0.000 0.399 329 I N 2.983 123.618 120.570 0.108 0.000 2.562 329 I HA 0.331 4.502 4.170 0.001 0.000 0.301 329 I C -0.654 175.605 176.117 0.237 0.000 1.003 329 I CA -0.965 60.462 61.300 0.211 0.000 1.127 329 I CB 1.958 40.093 38.000 0.225 0.000 1.304 329 I HN 0.480 nan 8.210 nan 0.000 0.446 330 Q N 3.459 123.438 119.800 0.300 0.000 2.331 330 Q HA 0.342 4.683 4.340 0.001 0.000 0.272 330 Q C -0.946 175.179 176.000 0.208 0.000 1.062 330 Q CA -0.816 55.124 55.803 0.228 0.000 0.806 330 Q CB 2.672 31.509 28.738 0.166 0.000 1.312 330 Q HN 0.353 nan 8.270 nan 0.000 0.431 331 K N 1.974 122.374 120.400 -0.000 0.000 2.316 331 K HA 0.099 4.420 4.320 0.001 0.000 0.289 331 K C 0.029 176.409 176.600 -0.365 0.000 1.070 331 K CA 0.039 56.015 56.287 -0.517 0.000 0.928 331 K CB 0.642 32.831 32.500 -0.517 0.000 1.039 331 K HN 0.542 nan 8.250 nan 0.000 0.480 332 Q N 2.524 122.072 119.800 -0.419 0.000 2.319 332 Q HA 0.135 4.476 4.340 0.001 0.000 0.202 332 Q C 0.513 176.367 176.000 -0.244 0.000 0.896 332 Q CA 0.515 56.182 55.803 -0.226 0.000 0.942 332 Q CB 0.931 29.602 28.738 -0.112 0.000 1.083 332 Q HN 1.014 nan 8.270 nan 0.000 0.510 333 G N 1.170 109.749 108.800 -0.369 0.000 2.746 333 G HA2 -0.229 3.731 3.960 0.001 0.000 0.685 333 G HA3 -0.229 3.731 3.960 0.001 0.000 0.685 333 G C -0.316 174.471 174.900 -0.188 0.000 1.350 333 G CA -0.365 44.585 45.100 -0.250 0.000 0.837 333 G HN 0.110 nan 8.290 nan 0.000 0.564 334 Q N -1.450 118.283 119.800 -0.111 0.000 2.436 334 Q HA -0.250 4.091 4.340 0.001 0.000 0.264 334 Q C 2.031 178.019 176.000 -0.020 0.000 1.093 334 Q CA 3.186 58.958 55.803 -0.052 0.000 0.994 334 Q CB -1.761 26.951 28.738 -0.043 0.000 1.434 334 Q HN 2.919 nan 8.270 nan 0.000 0.520 335 G N -1.539 107.248 108.800 -0.022 0.000 2.199 335 G HA2 -0.331 3.629 3.960 0.001 0.000 0.254 335 G HA3 -0.331 3.629 3.960 0.001 0.000 0.254 335 G C 0.078 175.081 174.900 0.171 0.000 0.982 335 G CA 0.582 45.763 45.100 0.134 0.000 0.632 335 G HN 0.383 nan 8.290 nan 0.000 0.529 336 Q N -0.848 118.920 119.800 -0.054 0.000 2.260 336 Q HA 0.700 5.040 4.340 0.001 0.000 0.242 336 Q C -0.335 175.548 176.000 -0.195 0.000 0.932 336 Q CA 0.096 55.915 55.803 0.027 0.000 0.891 336 Q CB 0.776 29.512 28.738 -0.003 0.000 1.222 336 Q HN 0.490 nan 8.270 nan 0.000 0.453 337 W N -0.628 120.779 121.300 0.178 0.000 3.075 337 W HA 0.610 5.271 4.660 0.001 0.000 0.334 337 W C -0.875 175.769 176.519 0.208 0.000 1.243 337 W CA -0.730 56.736 57.345 0.201 0.000 1.170 337 W CB 1.212 30.831 29.460 0.264 0.000 1.452 337 W HN 0.582 nan 8.180 nan 0.000 0.572 338 T N -0.627 114.174 114.554 0.413 0.000 2.900 338 T HA 0.803 5.154 4.350 0.001 0.000 0.295 338 T C -1.388 173.475 174.700 0.272 0.000 1.044 338 T CA -0.800 61.453 62.100 0.255 0.000 0.995 338 T CB 1.829 70.784 68.868 0.145 0.000 1.072 338 T HN 0.533 nan 8.240 nan 0.000 0.473 339 Y N -0.381 119.943 120.300 0.040 0.000 2.562 339 Y HA 0.826 5.376 4.550 0.001 0.000 0.345 339 Y C -1.396 174.439 175.900 -0.108 0.000 1.045 339 Y CA -1.435 56.650 58.100 -0.025 0.000 1.028 339 Y CB 1.733 40.194 38.460 0.002 0.000 1.297 339 Y HN 0.598 nan 8.280 nan 0.000 0.463 340 Q N 2.940 122.743 119.800 0.006 0.000 2.294 340 Q HA 0.544 4.885 4.340 0.001 0.000 0.264 340 Q C -1.435 174.568 176.000 0.006 0.000 0.992 340 Q CA -0.364 55.421 55.803 -0.029 0.000 0.747 340 Q CB 2.552 31.255 28.738 -0.058 0.000 1.262 340 Q HN 0.750 nan 8.270 nan 0.000 0.452 341 I N 4.249 124.832 120.570 0.023 0.000 2.342 341 I HA 0.510 4.680 4.170 0.001 0.000 0.291 341 I C -0.611 175.446 176.117 -0.099 0.000 1.010 341 I CA -0.831 60.376 61.300 -0.155 0.000 1.308 341 I CB 0.196 38.167 38.000 -0.048 0.000 1.400 341 I HN 0.626 nan 8.210 nan 0.000 0.488 342 Y N 3.378 123.561 120.300 -0.194 0.000 2.764 342 Y HA 0.454 5.004 4.550 0.001 0.000 0.331 342 Y C -0.361 175.422 175.900 -0.196 0.000 1.280 342 Y CA -0.990 57.004 58.100 -0.175 0.000 1.065 342 Y CB 0.970 39.351 38.460 -0.131 0.000 1.319 342 Y HN 0.440 nan 8.280 nan 0.000 0.453 343 Q N -0.750 119.160 119.800 0.183 0.000 2.279 343 Q HA 0.272 4.613 4.340 0.001 0.000 0.261 343 Q C -0.751 175.357 176.000 0.180 0.000 0.796 343 Q CA -0.036 55.808 55.803 0.068 0.000 0.971 343 Q CB 1.499 30.220 28.738 -0.028 0.000 1.179 343 Q HN 0.538 nan 8.270 nan 0.000 0.505 344 E N 1.498 121.802 120.200 0.174 0.000 2.212 344 E HA 0.361 4.712 4.350 0.001 0.000 0.268 344 E C -2.639 173.859 176.600 -0.170 0.000 0.902 344 E CA -2.359 54.059 56.400 0.029 0.000 0.779 344 E CB 1.720 31.418 29.700 -0.005 0.000 1.172 344 E HN -0.107 nan 8.360 nan 0.000 0.409 345 P HA -0.013 nan 4.420 nan 0.000 0.262 345 P C -0.344 176.647 177.300 -0.515 0.000 1.182 345 P CA 0.388 63.044 63.100 -0.740 0.000 0.761 345 P CB 0.014 31.433 31.700 -0.467 0.000 0.795 346 F N 0.568 120.212 119.950 -0.511 0.000 2.666 346 F HA -0.268 4.260 4.527 0.001 0.000 0.458 346 F C 0.586 176.239 175.800 -0.244 0.000 0.561 346 F CA 1.102 58.903 58.000 -0.332 0.000 1.129 346 F CB -1.948 36.843 39.000 -0.349 0.000 1.751 346 F HN 0.302 nan 8.300 nan 0.000 0.275 347 K N 1.669 122.011 120.400 -0.097 0.000 2.229 347 K HA 0.275 4.596 4.320 0.001 0.000 0.247 347 K C -0.277 176.329 176.600 0.010 0.000 1.117 347 K CA -0.267 55.990 56.287 -0.049 0.000 1.036 347 K CB 0.132 32.606 32.500 -0.043 0.000 1.654 347 K HN 0.065 nan 8.250 nan 0.000 0.405 348 N N 2.120 120.846 118.700 0.044 0.000 2.488 348 N HA 0.094 4.834 4.740 0.001 0.000 0.274 348 N C 0.687 176.265 175.510 0.113 0.000 1.111 348 N CA -0.093 53.032 53.050 0.124 0.000 0.974 348 N CB 1.055 39.628 38.487 0.143 0.000 1.089 348 N HN 0.319 nan 8.380 nan 0.000 0.465 349 L N 0.961 122.255 121.223 0.119 0.000 2.375 349 L HA 0.131 4.472 4.340 0.001 0.000 0.215 349 L C 0.844 177.887 176.870 0.287 0.000 1.108 349 L CA 0.716 55.666 54.840 0.182 0.000 0.830 349 L CB 0.059 42.150 42.059 0.053 0.000 0.959 349 L HN 0.520 nan 8.230 nan 0.000 0.457 350 K N -0.242 120.298 120.400 0.232 0.000 2.589 350 K HA 0.297 4.618 4.320 0.001 0.000 0.265 350 K C -1.266 175.394 176.600 0.101 0.000 0.935 350 K CA -0.469 55.949 56.287 0.219 0.000 0.850 350 K CB 1.753 34.454 32.500 0.334 0.000 1.372 350 K HN -0.098 nan 8.250 nan 0.000 0.420 351 T N -0.218 114.337 114.554 0.001 0.000 2.900 351 T HA 0.887 5.237 4.350 0.001 0.000 0.295 351 T C -0.115 174.343 174.700 -0.403 0.000 1.044 351 T CA -0.336 61.640 62.100 -0.207 0.000 0.995 351 T CB 1.853 70.682 68.868 -0.065 0.000 1.072 351 T HN 0.771 nan 8.240 nan 0.000 0.473 352 G N 0.788 109.003 108.800 -0.975 0.000 2.663 352 G HA2 0.655 4.616 3.960 0.001 0.000 0.299 352 G HA3 0.655 4.616 3.960 0.001 0.000 0.299 352 G C -2.029 172.506 174.900 -0.609 0.000 1.372 352 G CA -1.029 43.552 45.100 -0.865 0.000 0.781 352 G HN 0.847 nan 8.290 nan 0.000 0.491 353 K N -0.995 119.395 120.400 -0.016 0.000 2.469 353 K HA 0.624 4.945 4.320 0.001 0.000 0.254 353 K C -2.230 174.631 176.600 0.434 0.000 0.939 353 K CA -0.925 55.500 56.287 0.230 0.000 0.812 353 K CB 2.620 35.196 32.500 0.128 0.000 1.301 353 K HN 0.594 nan 8.250 nan 0.000 0.433 354 Y N 1.486 121.981 120.300 0.325 0.000 2.406 354 Y HA 0.636 5.186 4.550 0.001 0.000 0.340 354 Y C -1.588 174.484 175.900 0.287 0.000 0.975 354 Y CA -0.559 57.692 58.100 0.252 0.000 1.056 354 Y CB 1.929 40.497 38.460 0.181 0.000 1.210 354 Y HN 0.658 nan 8.280 nan 0.000 0.448 355 A N 6.370 129.024 122.820 -0.276 0.000 2.324 355 A HA 0.661 4.982 4.320 0.001 0.000 0.330 355 A C -0.674 176.614 177.584 -0.492 0.000 1.165 355 A CA -1.028 50.910 52.037 -0.166 0.000 0.813 355 A CB 0.647 19.589 19.000 -0.096 0.000 1.197 355 A HN 0.969 nan 8.150 nan 0.000 0.484 356 R N 1.711 122.144 120.500 -0.112 0.000 2.758 356 R HA 0.271 4.612 4.340 0.001 0.000 0.263 356 R C -0.427 175.783 176.300 -0.151 0.000 1.010 356 R CA 0.345 56.409 56.100 -0.061 0.000 1.114 356 R CB 0.081 30.456 30.300 0.125 0.000 0.985 356 R HN 0.610 nan 8.270 nan 0.000 0.439 357 M N 1.962 121.513 119.600 -0.083 0.000 2.277 357 M HA 0.221 4.702 4.480 0.001 0.000 0.350 357 M C 0.413 176.672 176.300 -0.069 0.000 1.180 357 M CA -0.693 54.568 55.300 -0.066 0.000 1.103 357 M CB 1.527 34.126 32.600 -0.003 0.000 1.577 357 M HN 0.620 nan 8.290 nan 0.000 0.459 358 R N 1.579 122.037 120.500 -0.070 0.000 2.614 358 R HA -0.024 4.317 4.340 0.001 0.000 0.335 358 R C 0.712 176.921 176.300 -0.153 0.000 0.859 358 R CA 1.650 57.692 56.100 -0.097 0.000 1.123 358 R CB -0.383 29.884 30.300 -0.054 0.000 0.887 358 R HN 0.988 nan 8.270 nan 0.000 0.407 359 G N 2.371 110.973 108.800 -0.330 0.000 2.481 359 G HA2 -0.279 3.682 3.960 0.001 0.000 0.200 359 G HA3 -0.279 3.682 3.960 0.001 0.000 0.200 359 G C 0.528 175.156 174.900 -0.453 0.000 1.012 359 G CA 0.039 44.893 45.100 -0.410 0.000 0.676 359 G HN 0.772 nan 8.290 nan 0.000 0.488 360 A N 1.693 124.363 122.820 -0.248 0.000 2.276 360 A HA 0.387 4.708 4.320 0.001 0.000 0.212 360 A C 1.589 179.176 177.584 0.004 0.000 1.230 360 A CA 1.294 53.271 52.037 -0.100 0.000 0.844 360 A CB -1.255 17.728 19.000 -0.028 0.000 0.860 360 A HN 0.990 nan 8.150 nan 0.000 0.486 361 H N -0.650 118.432 119.070 0.020 0.000 2.400 361 H HA -0.169 4.388 4.556 0.002 0.000 0.295 361 H C 1.234 176.569 175.328 0.013 0.000 1.118 361 H CA 1.452 57.511 56.048 0.020 0.000 1.256 361 H CB -0.596 29.172 29.762 0.011 0.000 1.365 361 H HN 0.510 nan 8.280 nan 0.000 0.502 362 T N -2.233 112.475 114.554 0.258 0.000 3.228 362 T HA 0.137 4.488 4.350 0.001 0.000 0.278 362 T C 0.167 174.887 174.700 0.033 0.000 1.014 362 T CA -0.644 61.510 62.100 0.089 0.000 0.904 362 T CB 0.075 68.957 68.868 0.023 0.000 1.110 362 T HN 0.158 nan 8.240 nan 0.000 0.541 363 N N 1.084 119.801 118.700 0.027 0.000 2.540 363 N HA 0.266 5.006 4.740 0.001 0.000 0.275 363 N C -0.359 175.133 175.510 -0.030 0.000 1.053 363 N CA -0.316 52.690 53.050 -0.074 0.000 0.876 363 N CB 2.035 40.409 38.487 -0.188 0.000 1.284 363 N HN -0.094 nan 8.380 nan 0.000 0.518 364 D N 2.174 122.587 120.400 0.022 0.000 2.097 364 D HA -0.080 4.561 4.640 0.001 0.000 0.197 364 D C 1.765 178.119 176.300 0.090 0.000 0.984 364 D CA 1.188 55.292 54.000 0.173 0.000 0.826 364 D CB 0.445 41.372 40.800 0.212 0.000 0.973 364 D HN 0.387 nan 8.370 nan 0.000 0.460 365 V N 0.750 120.644 119.914 -0.033 0.000 2.594 365 V HA -0.190 3.930 4.120 0.001 0.000 0.253 365 V C 2.374 178.341 176.094 -0.211 0.000 1.069 365 V CA 1.261 63.545 62.300 -0.028 0.000 1.082 365 V CB -0.404 31.419 31.823 0.000 0.000 0.680 365 V HN 0.141 nan 8.190 nan 0.000 0.469 366 K N 0.128 120.243 120.400 -0.475 0.000 1.985 366 K HA -0.227 4.094 4.320 0.001 0.000 0.210 366 K C 2.387 178.902 176.600 -0.141 0.000 1.047 366 K CA 1.837 57.839 56.287 -0.474 0.000 0.932 366 K CB -0.163 32.062 32.500 -0.458 0.000 0.716 366 K HN 0.530 nan 8.250 nan 0.000 0.439 367 Q N 0.684 120.442 119.800 -0.071 0.000 2.045 367 Q HA -0.213 4.127 4.340 0.001 0.000 0.206 367 Q C 2.249 178.026 176.000 -0.372 0.000 0.991 367 Q CA 1.773 57.561 55.803 -0.025 0.000 0.851 367 Q CB -0.254 28.587 28.738 0.172 0.000 0.911 367 Q HN 0.342 nan 8.270 nan 0.000 0.418 368 L N 0.722 121.669 121.223 -0.461 0.000 1.990 368 L HA -0.237 4.103 4.340 0.001 0.000 0.213 368 L C 2.644 179.433 176.870 -0.134 0.000 1.072 368 L CA 2.197 56.742 54.840 -0.492 0.000 0.755 368 L CB -0.921 41.030 42.059 -0.180 0.000 0.889 368 L HN 0.539 nan 8.230 nan 0.000 0.432 369 T N -3.232 111.417 114.554 0.158 0.000 2.684 369 T HA -0.250 4.101 4.350 0.001 0.000 0.267 369 T C 1.561 176.343 174.700 0.135 0.000 1.036 369 T CA 1.532 63.850 62.100 0.363 0.000 1.148 369 T CB -0.554 68.545 68.868 0.385 0.000 0.863 369 T HN 0.429 nan 8.240 nan 0.000 0.436 370 E N 1.738 121.925 120.200 -0.021 0.000 2.085 370 E HA -0.038 4.312 4.350 0.001 0.000 0.194 370 E C 2.684 179.069 176.600 -0.358 0.000 0.994 370 E CA 1.038 57.381 56.400 -0.094 0.000 0.801 370 E CB -0.421 29.308 29.700 0.048 0.000 0.743 370 E HN 0.681 nan 8.360 nan 0.000 0.453 371 A N 1.085 123.459 122.820 -0.744 0.000 1.845 371 A HA -0.165 4.156 4.320 0.001 0.000 0.215 371 A C 2.562 179.855 177.584 -0.485 0.000 1.195 371 A CA 1.388 52.783 52.037 -1.069 0.000 0.616 371 A CB -0.933 17.357 19.000 -1.183 0.000 0.832 371 A HN 0.121 nan 8.150 nan 0.000 0.443 372 V N 0.283 120.010 119.914 -0.312 0.000 2.278 372 V HA -0.409 3.711 4.120 0.001 0.000 0.251 372 V C 2.723 178.761 176.094 -0.093 0.000 1.062 372 V CA 2.542 64.662 62.300 -0.299 0.000 1.038 372 V CB -1.067 30.590 31.823 -0.276 0.000 0.646 372 V HN 0.663 nan 8.190 nan 0.000 0.447 373 Q N -0.392 119.406 119.800 -0.002 0.000 2.030 373 Q HA -0.312 4.029 4.340 0.001 0.000 0.204 373 Q C 2.350 178.417 176.000 0.112 0.000 0.986 373 Q CA 2.135 57.991 55.803 0.089 0.000 0.843 373 Q CB -0.323 28.311 28.738 -0.175 0.000 0.904 373 Q HN 0.538 nan 8.270 nan 0.000 0.420 374 K N 1.149 121.515 120.400 -0.056 0.000 2.020 374 K HA -0.185 4.136 4.320 0.001 0.000 0.212 374 K C 1.762 178.262 176.600 -0.167 0.000 1.050 374 K CA 1.537 57.762 56.287 -0.103 0.000 0.929 374 K CB -0.371 32.032 32.500 -0.161 0.000 0.714 374 K HN 0.159 nan 8.250 nan 0.000 0.443 375 I N 0.327 120.770 120.570 -0.212 0.000 2.226 375 I HA -0.269 3.901 4.170 0.001 0.000 0.245 375 I C 2.005 178.112 176.117 -0.017 0.000 1.100 375 I CA 1.713 62.890 61.300 -0.205 0.000 1.374 375 I CB -0.503 37.405 38.000 -0.153 0.000 1.057 375 I HN 0.215 nan 8.210 nan 0.000 0.413 376 T N -0.247 114.371 114.554 0.106 0.000 2.833 376 T HA -0.164 4.187 4.350 0.001 0.000 0.269 376 T C 1.975 176.525 174.700 -0.250 0.000 1.054 376 T CA 1.903 63.992 62.100 -0.017 0.000 1.135 376 T CB -0.551 68.309 68.868 -0.013 0.000 0.869 376 T HN 0.596 nan 8.240 nan 0.000 0.466 377 T N 1.109 115.602 114.554 -0.100 0.000 2.812 377 T HA -0.019 4.331 4.350 0.001 0.000 0.264 377 T C 1.775 176.407 174.700 -0.115 0.000 1.042 377 T CA 0.902 62.968 62.100 -0.058 0.000 1.140 377 T CB -0.338 68.629 68.868 0.165 0.000 0.870 377 T HN 0.440 nan 8.240 nan 0.000 0.445 378 E N 1.254 121.374 120.200 -0.134 0.000 2.110 378 E HA -0.107 4.244 4.350 0.001 0.000 0.193 378 E C 2.469 179.017 176.600 -0.087 0.000 0.988 378 E CA 1.142 57.470 56.400 -0.120 0.000 0.804 378 E CB -0.280 29.220 29.700 -0.333 0.000 0.745 378 E HN 0.565 nan 8.360 nan 0.000 0.458 379 S N 0.841 116.503 115.700 -0.064 0.000 2.359 379 S HA -0.177 4.294 4.470 0.001 0.000 0.224 379 S C 2.014 176.537 174.600 -0.129 0.000 1.035 379 S CA 0.984 59.212 58.200 0.047 0.000 1.018 379 S CB -0.213 62.984 63.200 -0.005 0.000 0.876 379 S HN 0.172 nan 8.310 nan 0.000 0.448 380 I N 0.990 121.377 120.570 -0.305 0.000 2.099 380 I HA -0.162 4.008 4.170 0.001 0.000 0.239 380 I C 2.391 178.315 176.117 -0.322 0.000 1.066 380 I CA 1.304 62.342 61.300 -0.436 0.000 1.324 380 I CB -0.637 36.988 38.000 -0.625 0.000 1.037 380 I HN 0.180 nan 8.210 nan 0.000 0.401 381 V N 1.190 120.940 119.914 -0.275 0.000 2.278 381 V HA -0.325 3.796 4.120 0.001 0.000 0.251 381 V C 2.194 178.188 176.094 -0.166 0.000 1.062 381 V CA 2.224 64.441 62.300 -0.137 0.000 1.038 381 V CB -0.492 31.355 31.823 0.039 0.000 0.646 381 V HN 0.371 nan 8.190 nan 0.000 0.447 382 I N -2.545 117.775 120.570 -0.418 0.000 2.703 382 I HA -0.080 4.091 4.170 0.001 0.000 0.259 382 I C 1.933 177.326 176.117 -1.208 0.000 1.151 382 I CA 1.059 61.871 61.300 -0.814 0.000 1.470 382 I CB -0.091 37.149 38.000 -1.267 0.000 1.112 382 I HN 0.390 nan 8.210 nan 0.000 0.437 383 W N 0.106 120.952 121.300 -0.756 0.000 2.661 383 W HA 0.374 5.034 4.660 0.001 0.000 0.288 383 W C 1.099 177.093 176.519 -0.874 0.000 1.014 383 W CA 0.513 57.324 57.345 -0.891 0.000 1.396 383 W CB 0.104 29.044 29.460 -0.866 0.000 0.963 383 W HN 0.175 nan 8.180 nan 0.000 0.584 384 G N 3.123 111.560 108.800 -0.605 0.000 2.248 384 G HA2 -0.258 3.703 3.960 0.001 0.000 0.263 384 G HA3 -0.258 3.703 3.960 0.001 0.000 0.263 384 G C -0.012 174.803 174.900 -0.143 0.000 1.082 384 G CA 0.841 45.815 45.100 -0.210 0.000 0.863 384 G HN 0.327 nan 8.290 nan 0.000 0.495 385 K N -2.317 117.899 120.400 -0.307 0.000 2.680 385 K HA 0.741 5.062 4.320 0.001 0.000 0.295 385 K C -0.571 175.839 176.600 -0.317 0.000 1.052 385 K CA -0.495 55.639 56.287 -0.256 0.000 0.863 385 K CB 0.532 33.007 32.500 -0.043 0.000 1.549 385 K HN 0.616 nan 8.250 nan 0.000 0.391 386 T N -0.219 114.234 114.554 -0.169 0.000 2.823 386 T HA 0.549 4.899 4.350 0.001 0.000 0.279 386 T C -2.460 172.212 174.700 -0.046 0.000 0.998 386 T CA -1.734 60.298 62.100 -0.113 0.000 0.994 386 T CB 1.350 70.210 68.868 -0.013 0.000 0.960 386 T HN 0.443 nan 8.240 nan 0.000 0.448 387 P HA 0.352 nan 4.420 nan 0.000 0.278 387 P C -0.746 176.525 177.300 -0.049 0.000 1.258 387 P CA -0.812 62.191 63.100 -0.162 0.000 0.811 387 P CB 0.881 32.360 31.700 -0.368 0.000 1.063 388 K N 1.487 121.793 120.400 -0.156 0.000 2.172 388 K HA 0.339 4.660 4.320 0.001 0.000 0.276 388 K C -1.001 175.537 176.600 -0.103 0.000 1.013 388 K CA -0.539 55.723 56.287 -0.043 0.000 0.913 388 K CB 0.026 32.463 32.500 -0.105 0.000 1.055 388 K HN 0.309 nan 8.250 nan 0.000 0.461 389 F N 2.498 122.382 119.950 -0.111 0.000 2.421 389 F HA 0.352 4.880 4.527 0.001 0.000 0.337 389 F C 0.655 176.357 175.800 -0.164 0.000 1.105 389 F CA -0.545 57.382 58.000 -0.121 0.000 1.049 389 F CB 1.264 40.214 39.000 -0.084 0.000 1.139 389 F HN 0.219 nan 8.300 nan 0.000 0.479 390 K N 4.532 124.917 120.400 -0.024 0.000 2.292 390 K HA 0.508 4.829 4.320 0.001 0.000 0.270 390 K C -1.127 175.457 176.600 -0.028 0.000 1.062 390 K CA -0.255 55.998 56.287 -0.056 0.000 0.916 390 K CB 0.895 33.371 32.500 -0.040 0.000 1.166 390 K HN 0.501 nan 8.250 nan 0.000 0.458 391 L N 5.422 126.575 121.223 -0.118 0.000 2.296 391 L HA 0.357 4.698 4.340 0.001 0.000 0.286 391 L C -1.758 175.119 176.870 0.012 0.000 1.023 391 L CA -2.035 52.730 54.840 -0.125 0.000 0.812 391 L CB 1.484 43.285 42.059 -0.431 0.000 1.223 391 L HN 0.425 nan 8.230 nan 0.000 0.421 392 P HA 0.158 nan 4.420 nan 0.000 0.228 392 P C -0.468 176.921 177.300 0.150 0.000 1.748 392 P CA 0.501 63.682 63.100 0.135 0.000 0.909 392 P CB 0.403 32.220 31.700 0.194 0.000 1.882 393 I N -1.133 119.524 120.570 0.144 0.000 3.102 393 I HA 0.296 4.467 4.170 0.001 0.000 0.310 393 I C -0.985 175.189 176.117 0.096 0.000 1.246 393 I CA -1.357 60.025 61.300 0.136 0.000 0.979 393 I CB 3.270 41.347 38.000 0.129 0.000 1.267 393 I HN -0.158 nan 8.210 nan 0.000 0.451 394 Q N 4.157 123.957 119.800 -0.001 0.000 2.261 394 Q HA 0.157 4.498 4.340 0.001 0.000 0.252 394 Q C 0.683 176.396 176.000 -0.479 0.000 0.915 394 Q CA -0.176 55.543 55.803 -0.140 0.000 0.915 394 Q CB 1.712 30.419 28.738 -0.052 0.000 1.204 394 Q HN 0.635 nan 8.270 nan 0.000 0.421 395 K N 3.035 122.891 120.400 -0.906 0.000 2.052 395 K HA -0.302 4.019 4.320 0.001 0.000 0.215 395 K C 1.069 177.318 176.600 -0.585 0.000 1.053 395 K CA 2.423 57.869 56.287 -1.401 0.000 0.934 395 K CB 0.175 32.232 32.500 -0.739 0.000 0.717 395 K HN 0.608 nan 8.250 nan 0.000 0.450 396 E N -0.185 119.825 120.200 -0.315 0.000 2.118 396 E HA -0.135 4.216 4.350 0.001 0.000 0.195 396 E C 1.972 178.480 176.600 -0.155 0.000 0.992 396 E CA 1.977 58.259 56.400 -0.195 0.000 0.804 396 E CB -0.323 29.297 29.700 -0.133 0.000 0.741 396 E HN 0.413 nan 8.360 nan 0.000 0.458 397 T N 0.073 114.597 114.554 -0.050 0.000 2.821 397 T HA -0.144 4.207 4.350 0.001 0.000 0.267 397 T C 1.321 176.147 174.700 0.210 0.000 1.046 397 T CA 0.900 63.093 62.100 0.155 0.000 1.139 397 T CB -0.348 68.664 68.868 0.239 0.000 0.871 397 T HN 0.381 nan 8.240 nan 0.000 0.454 398 W N 2.273 123.490 121.300 -0.137 0.000 2.352 398 W HA -0.151 4.509 4.660 0.000 0.000 0.322 398 W C 2.059 178.596 176.519 0.029 0.000 1.208 398 W CA 1.316 58.599 57.345 -0.102 0.000 1.286 398 W CB -0.168 29.115 29.460 -0.295 0.000 1.167 398 W HN 0.345 nan 8.180 nan 0.000 0.469 399 E N -0.381 119.804 120.200 -0.025 0.000 2.130 399 E HA -0.241 4.109 4.350 0.001 0.000 0.196 399 E C 1.937 178.267 176.600 -0.450 0.000 0.998 399 E CA 2.168 58.467 56.400 -0.169 0.000 0.806 399 E CB -0.608 28.995 29.700 -0.160 0.000 0.738 399 E HN 0.235 nan 8.360 nan 0.000 0.459 400 T N -0.314 113.973 114.554 -0.444 0.000 2.777 400 T HA -0.123 4.227 4.350 0.001 0.000 0.266 400 T C 0.921 175.165 174.700 -0.761 0.000 1.040 400 T CA 0.982 62.643 62.100 -0.732 0.000 1.141 400 T CB -0.029 68.191 68.868 -1.080 0.000 0.868 400 T HN 0.349 nan 8.240 nan 0.000 0.444 401 W N 0.059 121.211 121.300 -0.246 0.000 2.714 401 W HA 0.284 4.944 4.660 -0.000 0.000 0.353 401 W C 1.679 178.058 176.519 -0.233 0.000 0.999 401 W CA -1.101 56.135 57.345 -0.181 0.000 1.629 401 W CB -0.464 29.029 29.460 0.054 0.000 1.106 401 W HN 0.421 nan 8.180 nan 0.000 0.545 402 W N 1.766 122.759 121.300 -0.513 0.000 2.358 402 W HA -0.203 4.457 4.660 0.001 0.000 0.303 402 W C 1.643 177.930 176.519 -0.386 0.000 1.208 402 W CA 2.236 59.094 57.345 -0.813 0.000 1.274 402 W CB -1.668 26.519 29.460 -2.123 0.000 1.138 402 W HN -0.194 nan 8.180 nan 0.000 0.515 403 T N -0.150 113.505 114.554 -1.499 0.000 2.760 403 T HA -0.295 4.055 4.350 0.001 0.000 0.269 403 T C 1.457 175.916 174.700 -0.402 0.000 1.047 403 T CA 1.916 63.217 62.100 -1.333 0.000 1.139 403 T CB -0.685 67.317 68.868 -1.443 0.000 0.855 403 T HN 0.120 nan 8.240 nan 0.000 0.471 404 E N 0.979 120.951 120.200 -0.380 0.000 2.204 404 E HA -0.066 4.285 4.350 0.001 0.000 0.195 404 E C 1.017 177.259 176.600 -0.597 0.000 0.990 404 E CA 1.076 57.193 56.400 -0.472 0.000 0.821 404 E CB -0.229 29.039 29.700 -0.720 0.000 0.750 404 E HN 0.839 nan 8.360 nan 0.000 0.477 405 Y N -1.928 118.430 120.300 0.096 0.000 2.612 405 Y HA 0.176 4.726 4.550 0.001 0.000 0.250 405 Y C 0.813 176.853 175.900 0.234 0.000 1.175 405 Y CA -0.888 57.289 58.100 0.129 0.000 1.205 405 Y CB -0.016 38.499 38.460 0.090 0.000 1.201 405 Y HN 0.018 nan 8.280 nan 0.000 0.532 406 W N 2.268 123.662 121.300 0.156 0.000 2.161 406 W HA 0.178 4.838 4.660 0.001 0.000 0.344 406 W C 0.110 176.704 176.519 0.124 0.000 1.262 406 W CA 0.379 57.858 57.345 0.224 0.000 1.270 406 W CB 1.115 30.816 29.460 0.402 0.000 1.126 406 W HN 0.177 nan 8.180 nan 0.000 0.598 407 Q N 2.067 121.561 119.800 -0.510 0.000 1.977 407 Q HA 0.188 4.529 4.340 0.001 0.000 0.214 407 Q C -0.041 175.592 176.000 -0.613 0.000 0.740 407 Q CA -0.226 55.334 55.803 -0.404 0.000 0.893 407 Q CB 1.282 29.853 28.738 -0.277 0.000 1.203 407 Q HN 0.363 nan 8.270 nan 0.000 0.436 408 A N 0.544 122.651 122.820 -1.189 0.000 2.293 408 A HA 0.378 4.699 4.320 0.001 0.000 0.302 408 A C 1.218 178.431 177.584 -0.618 0.000 1.119 408 A CA 0.144 51.474 52.037 -1.178 0.000 0.823 408 A CB 0.574 18.149 19.000 -2.375 0.000 1.097 408 A HN 0.260 nan 8.150 nan 0.000 0.491 409 T N -0.640 113.577 114.554 -0.562 0.000 2.867 409 T HA -0.053 4.298 4.350 0.001 0.000 0.268 409 T C 0.659 175.414 174.700 0.092 0.000 1.057 409 T CA 0.972 62.988 62.100 -0.140 0.000 1.136 409 T CB -0.448 68.393 68.868 -0.045 0.000 0.874 409 T HN 0.693 nan 8.240 nan 0.000 0.466 410 W N 0.565 122.105 121.300 0.400 0.000 2.415 410 W HA 0.731 5.392 4.660 0.001 0.000 0.355 410 W C -0.912 176.018 176.519 0.685 0.000 1.161 410 W CA -1.821 55.794 57.345 0.449 0.000 1.315 410 W CB 0.514 30.221 29.460 0.410 0.000 1.261 410 W HN -0.032 nan 8.180 nan 0.000 0.636 411 I N 3.077 124.157 120.570 0.850 0.000 2.500 411 I HA 0.191 4.362 4.170 0.001 0.000 0.286 411 I C -1.975 174.315 176.117 0.288 0.000 1.063 411 I CA -2.198 59.444 61.300 0.570 0.000 1.062 411 I CB 2.234 40.345 38.000 0.186 0.000 1.223 411 I HN 0.001 nan 8.210 nan 0.000 0.435 412 P HA 0.212 nan 4.420 nan 0.000 0.275 412 P C -0.739 176.316 177.300 -0.408 0.000 1.266 412 P CA -0.329 62.806 63.100 0.059 0.000 0.793 412 P CB 1.032 32.855 31.700 0.206 0.000 1.074 413 E N -0.406 119.629 120.200 -0.275 0.000 2.318 413 E HA 0.392 4.743 4.350 0.001 0.000 0.265 413 E C -0.569 175.826 176.600 -0.342 0.000 1.069 413 E CA 0.153 56.266 56.400 -0.478 0.000 0.893 413 E CB 0.699 30.264 29.700 -0.225 0.000 1.076 413 E HN 0.499 nan 8.360 nan 0.000 0.414 414 W N -0.201 120.990 121.300 -0.183 0.000 3.146 414 W HA 0.464 5.125 4.660 0.002 0.000 0.319 414 W C -1.228 174.972 176.519 -0.531 0.000 1.258 414 W CA -1.008 56.126 57.345 -0.352 0.000 1.189 414 W CB -0.020 29.108 29.460 -0.553 0.000 1.412 414 W HN 0.460 nan 8.180 nan 0.000 0.567 415 E N 0.571 120.572 120.200 -0.331 0.000 2.383 415 E HA 0.718 5.069 4.350 0.001 0.000 0.275 415 E C -1.831 174.334 176.600 -0.725 0.000 0.918 415 E CA -1.041 55.065 56.400 -0.489 0.000 0.764 415 E CB 2.380 31.971 29.700 -0.181 0.000 1.252 415 E HN 0.228 nan 8.360 nan 0.000 0.449 416 F N 1.333 121.275 119.950 -0.013 0.000 2.415 416 F HA 0.486 5.014 4.527 0.002 0.000 0.348 416 F C 0.219 176.014 175.800 -0.009 0.000 1.119 416 F CA -0.813 57.153 58.000 -0.056 0.000 1.069 416 F CB 1.768 40.730 39.000 -0.063 0.000 1.124 416 F HN 0.441 nan 8.300 nan 0.000 0.472 417 V N -0.052 119.926 119.914 0.107 0.000 3.102 417 V HA 0.652 4.772 4.120 0.001 0.000 0.312 417 V C -0.951 175.198 176.094 0.092 0.000 1.135 417 V CA -1.089 61.263 62.300 0.086 0.000 1.022 417 V CB 2.225 34.078 31.823 0.051 0.000 1.056 417 V HN 0.607 nan 8.190 nan 0.000 0.436 418 N N 1.279 120.026 118.700 0.078 0.000 2.426 418 N HA 0.355 5.095 4.740 0.001 0.000 0.257 418 N C -0.205 175.344 175.510 0.065 0.000 1.002 418 N CA -0.239 52.853 53.050 0.069 0.000 0.942 418 N CB 1.321 39.844 38.487 0.060 0.000 1.112 418 N HN 0.863 nan 8.380 nan 0.000 0.499 419 T N 3.761 118.354 114.554 0.064 0.000 2.761 419 T HA 0.127 4.478 4.350 0.001 0.000 0.287 419 T C -2.144 172.581 174.700 0.041 0.000 0.931 419 T CA -0.499 61.638 62.100 0.061 0.000 1.164 419 T CB -0.046 68.859 68.868 0.061 0.000 0.876 419 T HN 0.191 nan 8.240 nan 0.000 0.534 420 P HA 0.175 nan 4.420 nan 0.000 0.269 420 P C -1.809 175.469 177.300 -0.037 0.000 1.252 420 P CA -1.356 61.756 63.100 0.020 0.000 0.780 420 P CB 0.474 32.208 31.700 0.057 0.000 0.829 421 P HA -0.234 nan 4.420 nan 0.000 0.219 421 P C 1.248 178.464 177.300 -0.139 0.000 1.151 421 P CA 1.360 64.419 63.100 -0.068 0.000 0.850 421 P CB -0.036 31.635 31.700 -0.047 0.000 0.784 422 L N -1.625 119.452 121.223 -0.244 0.000 2.044 422 L HA -0.123 4.218 4.340 0.001 0.000 0.205 422 L C 2.365 178.820 176.870 -0.691 0.000 1.075 422 L CA 1.098 55.656 54.840 -0.469 0.000 0.747 422 L CB -0.969 40.678 42.059 -0.688 0.000 0.903 422 L HN -0.155 nan 8.230 nan 0.000 0.435 423 V N 0.353 119.845 119.914 -0.703 0.000 2.277 423 V HA -0.394 3.726 4.120 0.001 0.000 0.253 423 V C 2.647 178.695 176.094 -0.077 0.000 1.067 423 V CA 2.118 64.131 62.300 -0.479 0.000 1.047 423 V CB -0.796 31.049 31.823 0.037 0.000 0.649 423 V HN 0.475 nan 8.190 nan 0.000 0.447 424 K N -0.132 120.251 120.400 -0.028 0.000 2.002 424 K HA -0.179 4.142 4.320 0.001 0.000 0.209 424 K C 2.169 178.767 176.600 -0.004 0.000 1.048 424 K CA 1.675 57.991 56.287 0.049 0.000 0.930 424 K CB -0.582 31.921 32.500 0.005 0.000 0.714 424 K HN 0.301 nan 8.250 nan 0.000 0.438 425 L N 1.080 122.254 121.223 -0.080 0.000 2.043 425 L HA -0.233 4.108 4.340 0.001 0.000 0.212 425 L C 2.356 179.188 176.870 -0.064 0.000 1.075 425 L CA 1.695 56.493 54.840 -0.070 0.000 0.752 425 L CB -1.485 40.529 42.059 -0.074 0.000 0.891 425 L HN 0.453 nan 8.230 nan 0.000 0.432 426 W N -0.291 120.811 121.300 -0.330 0.000 2.329 426 W HA -0.319 4.341 4.660 0.001 0.000 0.324 426 W C 2.514 178.867 176.519 -0.276 0.000 1.222 426 W CA 1.603 58.737 57.345 -0.352 0.000 1.270 426 W CB -0.596 28.503 29.460 -0.603 0.000 1.167 426 W HN 0.157 nan 8.180 nan 0.000 0.467 427 Y N 1.112 121.400 120.300 -0.020 0.000 2.403 427 Y HA -0.258 4.293 4.550 0.001 0.000 0.291 427 Y C 2.651 178.470 175.900 -0.135 0.000 1.143 427 Y CA 1.952 59.998 58.100 -0.090 0.000 1.257 427 Y CB -1.317 37.194 38.460 0.084 0.000 0.984 427 Y HN 0.247 nan 8.280 nan 0.000 0.550 428 Q N -0.182 119.603 119.800 -0.025 0.000 2.364 428 Q HA -0.153 4.187 4.340 0.001 0.000 0.207 428 Q C 1.279 177.209 176.000 -0.116 0.000 0.970 428 Q CA 0.782 56.557 55.803 -0.047 0.000 0.888 428 Q CB -0.148 28.559 28.738 -0.052 0.000 0.951 428 Q HN 0.418 nan 8.270 nan 0.000 0.469 429 L N 1.225 122.303 121.223 -0.242 0.000 2.554 429 L HA 0.120 4.461 4.340 0.001 0.000 0.226 429 L C 0.344 177.065 176.870 -0.248 0.000 1.137 429 L CA 0.787 55.448 54.840 -0.299 0.000 0.863 429 L CB -0.100 41.638 42.059 -0.534 0.000 0.985 429 L HN 0.132 nan 8.230 nan 0.000 0.451 430 E N 0.820 120.914 120.200 -0.176 0.000 2.481 430 E HA -0.116 4.235 4.350 0.001 0.000 0.263 430 E C 0.362 176.926 176.600 -0.059 0.000 0.992 430 E CA 0.267 56.613 56.400 -0.090 0.000 0.938 430 E CB 0.463 30.158 29.700 -0.009 0.000 0.933 430 E HN 0.057 nan 8.360 nan 0.000 0.453 431 K N 2.892 123.269 120.400 -0.038 0.000 2.401 431 K HA -0.001 4.320 4.320 0.001 0.000 0.278 431 K C -0.398 176.200 176.600 -0.003 0.000 1.018 431 K CA 0.353 56.628 56.287 -0.021 0.000 0.981 431 K CB 0.513 33.009 32.500 -0.008 0.000 0.933 431 K HN 0.371 nan 8.250 nan 0.000 0.477 432 E N 3.933 124.131 120.200 -0.004 0.000 2.235 432 E HA 0.304 4.655 4.350 0.001 0.000 0.265 432 E C -2.256 174.348 176.600 0.007 0.000 0.940 432 E CA -2.231 54.172 56.400 0.005 0.000 0.819 432 E CB 1.300 30.999 29.700 -0.001 0.000 1.206 432 E HN 0.560 nan 8.360 nan 0.000 0.409 433 P HA -0.031 nan 4.420 nan 0.000 0.270 433 P C 0.484 177.786 177.300 0.004 0.000 1.221 433 P CA 0.223 63.330 63.100 0.012 0.000 0.788 433 P CB 0.569 32.278 31.700 0.016 0.000 0.904 434 I N 0.377 120.949 120.570 0.003 0.000 2.133 434 I HA -0.193 3.978 4.170 0.001 0.000 0.238 434 I C 1.829 177.942 176.117 -0.006 0.000 1.074 434 I CA 1.746 63.044 61.300 -0.002 0.000 1.342 434 I CB -0.405 37.595 38.000 -0.000 0.000 1.053 434 I HN 0.207 nan 8.210 nan 0.000 0.404 435 V N -2.907 117.003 119.914 -0.006 0.000 3.219 435 V HA 0.687 4.808 4.120 0.001 0.000 0.240 435 V C 0.826 176.915 176.094 -0.009 0.000 1.222 435 V CA 0.358 62.650 62.300 -0.012 0.000 1.181 435 V CB -0.175 31.636 31.823 -0.019 0.000 0.941 435 V HN 0.504 nan 8.190 nan 0.000 0.471 436 G N -0.112 108.687 108.800 -0.001 0.000 2.353 436 G HA2 0.465 4.426 3.960 0.001 0.000 0.424 436 G HA3 0.465 4.426 3.960 0.001 0.000 0.424 436 G C -0.393 174.511 174.900 0.008 0.000 1.320 436 G CA -0.195 44.908 45.100 0.005 0.000 0.995 436 G HN 1.403 nan 8.290 nan 0.000 0.580 437 A N 0.133 122.961 122.820 0.014 0.000 2.666 437 A HA 0.551 4.872 4.320 0.001 0.000 0.301 437 A C 0.648 178.239 177.584 0.011 0.000 1.470 437 A CA 0.788 52.834 52.037 0.014 0.000 1.159 437 A CB -0.319 18.690 19.000 0.016 0.000 1.116 437 A HN 0.931 nan 8.150 nan 0.000 0.548 438 E N 2.515 122.722 120.200 0.012 0.000 2.603 438 E HA 0.009 4.360 4.350 0.001 0.000 0.242 438 E C 0.040 176.666 176.600 0.045 0.000 1.083 438 E CA 0.435 56.843 56.400 0.014 0.000 0.950 438 E CB 0.225 29.930 29.700 0.010 0.000 0.952 438 E HN 0.475 nan 8.360 nan 0.000 0.498 439 T N 6.061 120.640 114.554 0.042 0.000 3.355 439 T HA 0.140 4.491 4.350 0.001 0.000 0.376 439 T C 0.007 174.780 174.700 0.121 0.000 1.683 439 T CA -0.711 61.433 62.100 0.074 0.000 1.269 439 T CB -0.512 68.382 68.868 0.044 0.000 1.158 439 T HN 0.431 nan 8.240 nan 0.000 0.703 440 F N 0.000 119.951 119.950 0.001 0.000 2.286 440 F HA 0.000 4.528 4.527 0.001 0.000 0.279 440 F CA 0.000 58.002 58.000 0.003 0.000 1.383 440 F CB 0.000 39.002 39.000 0.004 0.000 1.145 440 F HN 0.000 nan 8.300 nan 0.000 0.574