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 1ady_1_A DATA FIRST_RESID 2 DATA SEQUENCE TARAVRGTKD LFGKELRMHQ RIVATARKVL EAAGALELVT PIFEETQVFE DATA SEQUENCE KGVGAATDIV RKEMFTFQDR GGRSLTLRPE GTAAMVRAYL EHGMKVWPQP DATA SEQUENCE VRLWMAGPMF RAERPQKGRY RQFHQVNYEA LGSENPILDA EAVVLLYECL DATA SEQUENCE KELGLRRLKV KLSSVGDPED RARYNAYLRE VLSPHREALS EDSKERLEEN DATA SEQUENCE PMRILDSKSE RDQALLKELG VRPMLDFLGE EARAHLKEVE RHLERLSVPY DATA SEQUENCE ELEPALVRGL DYYVRTAFEV HHEEIGAQSA LGGGGRYDGL SELLGGPRVP DATA SEQUENCE GVGFAFGVER VALALEAEGF GLPEEKGPDL YLIPLTEEAV AEAFYLAEAL DATA SEQUENCE RPRLRAEYAL APRKPAKGLE EALKRGAAFA GFLGEDELRA GEVTLKRLAT DATA SEQUENCE GEQVRLSREE VPGYLLQALG 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.696 174.700 -0.007 0.000 1.109 2 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 2 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 3 A N 2.845 125.660 122.820 -0.009 0.000 2.555 3 A HA 0.556 4.876 4.320 0.001 0.000 0.233 3 A C 0.400 177.980 177.584 -0.008 0.000 1.060 3 A CA 0.541 52.572 52.037 -0.010 0.000 0.759 3 A CB 0.139 19.130 19.000 -0.015 0.000 0.995 3 A HN 0.357 nan 8.150 nan 0.000 0.506 4 R N -0.118 120.379 120.500 -0.006 0.000 2.905 4 R HA 0.640 4.981 4.340 0.001 0.000 0.260 4 R C -0.331 175.968 176.300 -0.002 0.000 1.086 4 R CA -0.347 55.753 56.100 -0.001 0.000 0.978 4 R CB 1.771 32.072 30.300 0.003 0.000 1.215 4 R HN 0.895 nan 8.270 nan 0.000 0.480 5 A N 1.379 124.201 122.820 0.004 0.000 2.451 5 A HA 0.266 4.587 4.320 0.001 0.000 0.266 5 A C 0.708 178.293 177.584 0.001 0.000 1.119 5 A CA -0.457 51.582 52.037 0.004 0.000 0.786 5 A CB -0.210 18.799 19.000 0.014 0.000 1.061 5 A HN 0.525 nan 8.150 nan 0.000 0.503 6 V N 1.356 121.267 119.914 -0.005 0.000 2.752 6 V HA 0.126 4.247 4.120 0.001 0.000 0.306 6 V C 0.754 176.857 176.094 0.015 0.000 1.099 6 V CA -0.364 61.936 62.300 -0.000 0.000 1.240 6 V CB -0.438 31.374 31.823 -0.018 0.000 0.887 6 V HN 0.947 nan 8.190 nan 0.000 0.499 7 R N 4.324 124.840 120.500 0.025 0.000 2.504 7 R HA 0.385 4.725 4.340 0.001 0.000 0.291 7 R C 1.310 177.645 176.300 0.059 0.000 0.974 7 R CA 1.446 57.566 56.100 0.033 0.000 1.077 7 R CB -0.310 30.016 30.300 0.043 0.000 0.926 7 R HN 1.911 nan 8.270 nan 0.000 0.407 8 G N 1.948 110.768 108.800 0.034 0.000 2.218 8 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 8 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 8 G C 0.020 174.940 174.900 0.034 0.000 0.994 8 G CA 0.225 45.368 45.100 0.072 0.000 0.637 8 G HN 1.023 nan 8.290 nan 0.000 0.505 9 T N -1.513 113.045 114.554 0.008 0.000 2.930 9 T HA 0.810 5.160 4.350 0.001 0.000 0.290 9 T C -0.625 174.060 174.700 -0.025 0.000 1.052 9 T CA 0.256 62.367 62.100 0.018 0.000 1.017 9 T CB 2.746 71.648 68.868 0.055 0.000 1.137 9 T HN 1.266 nan 8.240 nan 0.000 0.511 10 K N -0.056 120.347 120.400 0.004 0.000 2.607 10 K HA 0.463 4.784 4.320 0.001 0.000 0.287 10 K C -1.975 174.659 176.600 0.056 0.000 0.996 10 K CA -1.044 55.247 56.287 0.006 0.000 0.876 10 K CB 1.054 33.521 32.500 -0.055 0.000 1.496 10 K HN 0.418 nan 8.250 nan 0.000 0.415 11 D N 1.800 122.255 120.400 0.091 0.000 2.308 11 D HA 0.233 4.874 4.640 0.001 0.000 0.251 11 D C -0.405 175.989 176.300 0.157 0.000 1.127 11 D CA -0.074 54.023 54.000 0.160 0.000 0.876 11 D CB 1.024 41.962 40.800 0.231 0.000 1.176 11 D HN 0.336 nan 8.370 nan 0.000 0.446 12 L N 4.060 125.349 121.223 0.109 0.000 2.257 12 L HA 0.441 4.782 4.340 0.001 0.000 0.290 12 L C -0.327 176.612 176.870 0.115 0.000 1.044 12 L CA -0.654 54.168 54.840 -0.030 0.000 0.810 12 L CB -0.085 41.886 42.059 -0.148 0.000 1.193 12 L HN 0.340 nan 8.230 nan 0.000 0.425 13 F N 0.945 120.843 119.950 -0.087 0.000 2.741 13 F HA 0.863 5.391 4.527 0.001 0.000 0.313 13 F C 0.373 176.141 175.800 -0.052 0.000 1.153 13 F CA -0.323 57.641 58.000 -0.060 0.000 0.931 13 F CB 0.673 39.649 39.000 -0.039 0.000 1.335 13 F HN 0.628 nan 8.300 nan 0.000 0.460 14 G N 1.570 110.467 108.800 0.163 0.000 2.569 14 G HA2 -0.295 3.665 3.960 0.001 0.000 0.259 14 G HA3 -0.295 3.665 3.960 0.001 0.000 0.259 14 G C 0.509 175.385 174.900 -0.040 0.000 1.263 14 G CA 0.355 45.484 45.100 0.049 0.000 0.928 14 G HN 1.080 nan 8.290 nan 0.000 0.572 15 K N 0.188 120.556 120.400 -0.053 0.000 2.074 15 K HA -0.149 4.172 4.320 0.001 0.000 0.209 15 K C 2.478 179.047 176.600 -0.052 0.000 1.048 15 K CA 1.960 58.225 56.287 -0.036 0.000 0.926 15 K CB -0.226 32.259 32.500 -0.024 0.000 0.713 15 K HN 0.608 nan 8.250 nan 0.000 0.444 16 E N 1.008 121.134 120.200 -0.122 0.000 2.070 16 E HA -0.226 4.124 4.350 0.001 0.000 0.197 16 E C 2.021 178.501 176.600 -0.200 0.000 1.004 16 E CA 0.973 57.293 56.400 -0.133 0.000 0.805 16 E CB -0.016 29.549 29.700 -0.226 0.000 0.744 16 E HN 0.204 nan 8.360 nan 0.000 0.451 17 L N 0.789 121.872 121.223 -0.232 0.000 2.046 17 L HA -0.172 4.169 4.340 0.001 0.000 0.208 17 L C 2.374 179.208 176.870 -0.061 0.000 1.077 17 L CA 1.683 56.392 54.840 -0.218 0.000 0.747 17 L CB -0.433 41.563 42.059 -0.106 0.000 0.896 17 L HN 0.177 nan 8.230 nan 0.000 0.432 18 R N -0.858 119.634 120.500 -0.014 0.000 2.081 18 R HA -0.228 4.112 4.340 0.001 0.000 0.235 18 R C 2.125 178.465 176.300 0.067 0.000 1.131 18 R CA 1.766 57.884 56.100 0.031 0.000 0.960 18 R CB -0.381 29.935 30.300 0.027 0.000 0.856 18 R HN 0.265 nan 8.270 nan 0.000 0.436 19 M N 0.084 119.736 119.600 0.086 0.000 2.117 19 M HA -0.164 4.317 4.480 0.001 0.000 0.262 19 M C 1.713 178.117 176.300 0.172 0.000 1.065 19 M CA 1.801 57.172 55.300 0.119 0.000 1.114 19 M CB -0.330 32.351 32.600 0.135 0.000 1.361 19 M HN 0.219 nan 8.290 nan 0.000 0.408 20 H N -0.998 118.078 119.070 0.011 0.000 2.352 20 H HA -0.165 4.391 4.556 0.001 0.000 0.299 20 H C 2.001 177.345 175.328 0.027 0.000 1.097 20 H CA 1.718 57.773 56.048 0.013 0.000 1.311 20 H CB -0.036 29.703 29.762 -0.040 0.000 1.377 20 H HN 0.575 nan 8.280 nan 0.000 0.504 21 Q N 0.380 120.275 119.800 0.158 0.000 2.167 21 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 21 Q C 2.376 178.430 176.000 0.091 0.000 0.970 21 Q CA 0.694 56.560 55.803 0.105 0.000 0.855 21 Q CB 0.050 28.833 28.738 0.075 0.000 0.911 21 Q HN 0.403 nan 8.270 nan 0.000 0.438 22 R N 0.370 120.918 120.500 0.079 0.000 2.066 22 R HA -0.068 4.273 4.340 0.001 0.000 0.232 22 R C 2.301 178.634 176.300 0.054 0.000 1.131 22 R CA 1.096 57.228 56.100 0.054 0.000 0.955 22 R CB -0.273 30.050 30.300 0.037 0.000 0.851 22 R HN 0.262 nan 8.270 nan 0.000 0.432 23 I N 0.413 121.024 120.570 0.068 0.000 2.127 23 I HA -0.293 3.877 4.170 0.001 0.000 0.241 23 I C 2.273 178.482 176.117 0.154 0.000 1.075 23 I CA 1.369 62.726 61.300 0.096 0.000 1.334 23 I CB -0.325 37.742 38.000 0.113 0.000 1.040 23 I HN -0.013 nan 8.210 nan 0.000 0.405 24 V N 0.986 120.990 119.914 0.149 0.000 2.515 24 V HA -0.259 3.862 4.120 0.001 0.000 0.250 24 V C 2.687 178.869 176.094 0.146 0.000 1.058 24 V CA 1.764 64.171 62.300 0.178 0.000 1.064 24 V CB -1.097 30.834 31.823 0.181 0.000 0.675 24 V HN 0.490 nan 8.190 nan 0.000 0.461 25 A N 0.110 122.993 122.820 0.105 0.000 1.877 25 A HA -0.238 4.083 4.320 0.001 0.000 0.216 25 A C 2.430 180.027 177.584 0.021 0.000 1.186 25 A CA 2.643 54.722 52.037 0.071 0.000 0.620 25 A CB -1.048 17.986 19.000 0.057 0.000 0.822 25 A HN 0.485 nan 8.150 nan 0.000 0.443 26 T N 0.270 114.833 114.554 0.015 0.000 2.708 26 T HA -0.015 4.335 4.350 0.001 0.000 0.266 26 T C 2.251 176.924 174.700 -0.044 0.000 1.037 26 T CA 1.678 63.765 62.100 -0.021 0.000 1.146 26 T CB -0.533 68.316 68.868 -0.032 0.000 0.865 26 T HN 0.611 nan 8.240 nan 0.000 0.435 27 A N 1.801 124.630 122.820 0.015 0.000 1.908 27 A HA -0.181 4.139 4.320 0.001 0.000 0.218 27 A C 2.277 179.668 177.584 -0.322 0.000 1.181 27 A CA 2.087 54.124 52.037 -0.000 0.000 0.627 27 A CB -0.667 18.465 19.000 0.220 0.000 0.818 27 A HN 0.481 nan 8.150 nan 0.000 0.445 28 R N -0.100 120.156 120.500 -0.408 0.000 2.091 28 R HA -0.191 4.149 4.340 0.001 0.000 0.238 28 R C 2.243 178.287 176.300 -0.427 0.000 1.136 28 R CA 2.037 57.709 56.100 -0.713 0.000 0.959 28 R CB -0.288 29.910 30.300 -0.170 0.000 0.856 28 R HN 0.567 nan 8.270 nan 0.000 0.437 29 K N 0.305 120.578 120.400 -0.212 0.000 1.985 29 K HA -0.128 4.192 4.320 0.001 0.000 0.210 29 K C 2.092 178.602 176.600 -0.151 0.000 1.047 29 K CA 1.994 58.200 56.287 -0.135 0.000 0.932 29 K CB -0.181 32.273 32.500 -0.077 0.000 0.716 29 K HN 0.210 nan 8.250 nan 0.000 0.439 30 V N -0.214 119.611 119.914 -0.147 0.000 2.287 30 V HA -0.230 3.891 4.120 0.001 0.000 0.248 30 V C 2.215 178.213 176.094 -0.160 0.000 1.053 30 V CA 1.368 63.592 62.300 -0.127 0.000 1.027 30 V CB -0.803 30.959 31.823 -0.101 0.000 0.646 30 V HN 0.141 nan 8.190 nan 0.000 0.447 31 L N 0.841 121.915 121.223 -0.248 0.000 2.017 31 L HA -0.107 4.234 4.340 0.001 0.000 0.208 31 L C 2.808 179.549 176.870 -0.215 0.000 1.073 31 L CA 2.131 56.801 54.840 -0.283 0.000 0.745 31 L CB -1.292 40.489 42.059 -0.463 0.000 0.894 31 L HN 0.445 nan 8.230 nan 0.000 0.432 32 E N -0.891 119.141 120.200 -0.280 0.000 2.268 32 E HA -0.128 4.222 4.350 0.001 0.000 0.195 32 E C 2.164 178.743 176.600 -0.034 0.000 0.995 32 E CA 0.813 57.154 56.400 -0.098 0.000 0.836 32 E CB -0.136 29.529 29.700 -0.059 0.000 0.763 32 E HN 0.491 nan 8.360 nan 0.000 0.491 33 A N 1.379 124.161 122.820 -0.063 0.000 2.015 33 A HA -0.005 4.316 4.320 0.001 0.000 0.219 33 A C 2.262 179.837 177.584 -0.015 0.000 1.163 33 A CA 1.322 53.339 52.037 -0.034 0.000 0.646 33 A CB -0.217 18.755 19.000 -0.047 0.000 0.806 33 A HN 0.246 nan 8.150 nan 0.000 0.448 34 A N -1.786 121.024 122.820 -0.018 0.000 2.238 34 A HA 0.424 4.745 4.320 0.001 0.000 0.208 34 A C 1.641 179.267 177.584 0.071 0.000 1.177 34 A CA 1.114 53.159 52.037 0.013 0.000 0.804 34 A CB -0.831 18.160 19.000 -0.015 0.000 0.823 34 A HN 1.824 nan 8.150 nan 0.000 0.482 35 G N -2.004 106.839 108.800 0.073 0.000 2.131 35 G HA2 0.127 4.088 3.960 0.001 0.000 0.223 35 G HA3 0.127 4.088 3.960 0.001 0.000 0.223 35 G C 0.329 175.332 174.900 0.171 0.000 0.990 35 G CA 0.169 45.333 45.100 0.106 0.000 0.671 35 G HN 1.534 nan 8.290 nan 0.000 0.521 36 A N -0.314 122.630 122.820 0.207 0.000 2.401 36 A HA 0.746 5.066 4.320 0.001 0.000 0.259 36 A C 0.169 177.988 177.584 0.392 0.000 1.103 36 A CA 0.146 52.386 52.037 0.338 0.000 0.789 36 A CB 0.958 20.203 19.000 0.408 0.000 1.035 36 A HN 1.540 nan 8.150 nan 0.000 0.491 37 L N 1.475 122.932 121.223 0.389 0.000 2.309 37 L HA 0.462 4.803 4.340 0.001 0.000 0.282 37 L C 0.296 177.318 176.870 0.254 0.000 1.036 37 L CA -0.304 54.718 54.840 0.303 0.000 0.806 37 L CB 1.459 43.630 42.059 0.188 0.000 1.220 37 L HN 0.804 nan 8.230 nan 0.000 0.429 38 E N 4.630 124.877 120.200 0.078 0.000 2.316 38 E HA 0.321 4.672 4.350 0.001 0.000 0.275 38 E C -1.540 174.911 176.600 -0.249 0.000 1.029 38 E CA -0.394 55.743 56.400 -0.438 0.000 0.871 38 E CB 0.786 30.216 29.700 -0.451 0.000 1.022 38 E HN 0.529 nan 8.360 nan 0.000 0.418 39 L N 6.117 127.165 121.223 -0.292 0.000 2.476 39 L HA 0.378 4.718 4.340 0.001 0.000 0.269 39 L C -1.715 175.043 176.870 -0.186 0.000 0.965 39 L CA -0.797 53.949 54.840 -0.156 0.000 0.845 39 L CB 1.707 43.733 42.059 -0.055 0.000 1.259 39 L HN 0.365 nan 8.230 nan 0.000 0.403 40 V N 3.844 123.668 119.914 -0.150 0.000 2.384 40 V HA 0.538 4.658 4.120 0.001 0.000 0.287 40 V C 0.669 176.718 176.094 -0.075 0.000 1.020 40 V CA -0.474 61.747 62.300 -0.131 0.000 0.850 40 V CB 1.683 33.426 31.823 -0.134 0.000 0.987 40 V HN 0.879 nan 8.190 nan 0.000 0.436 41 T N 3.535 118.054 114.554 -0.058 0.000 2.902 41 T HA 0.622 4.972 4.350 0.001 0.000 0.280 41 T C -2.411 172.263 174.700 -0.043 0.000 0.992 41 T CA -1.879 60.203 62.100 -0.030 0.000 1.015 41 T CB 1.266 70.129 68.868 -0.009 0.000 1.044 41 T HN 0.431 nan 8.240 nan 0.000 0.520 42 P HA 0.187 nan 4.420 nan 0.000 0.269 42 P C 1.010 178.235 177.300 -0.124 0.000 1.217 42 P CA -0.599 62.411 63.100 -0.150 0.000 0.783 42 P CB 0.305 31.889 31.700 -0.192 0.000 0.898 43 I N 0.552 120.985 120.570 -0.229 0.000 2.454 43 I HA -0.107 4.063 4.170 0.001 0.000 0.254 43 I C 0.930 177.117 176.117 0.116 0.000 1.156 43 I CA 1.544 62.827 61.300 -0.028 0.000 1.433 43 I CB -1.149 36.819 38.000 -0.052 0.000 1.082 43 I HN 0.295 nan 8.210 nan 0.000 0.432 44 F N -0.290 119.772 119.950 0.187 0.000 2.599 44 F HA 0.782 5.309 4.527 0.001 0.000 0.311 44 F C -0.306 175.591 175.800 0.161 0.000 1.076 44 F CA -1.481 56.642 58.000 0.204 0.000 0.937 44 F CB 1.049 40.149 39.000 0.167 0.000 1.282 44 F HN -0.223 nan 8.300 nan 0.000 0.460 45 E N 0.070 120.554 120.200 0.474 0.000 2.423 45 E HA 0.256 4.607 4.350 0.001 0.000 0.269 45 E C -1.289 175.363 176.600 0.086 0.000 0.948 45 E CA -1.033 55.475 56.400 0.180 0.000 0.802 45 E CB 2.101 31.718 29.700 -0.138 0.000 1.339 45 E HN 0.747 nan 8.360 nan 0.000 0.445 46 E N 0.745 120.925 120.200 -0.033 0.000 2.415 46 E HA -0.036 4.315 4.350 0.001 0.000 0.263 46 E C 0.844 177.403 176.600 -0.069 0.000 0.995 46 E CA 0.226 56.588 56.400 -0.063 0.000 0.915 46 E CB 0.606 30.260 29.700 -0.077 0.000 0.951 46 E HN 0.428 nan 8.360 nan 0.000 0.449 47 T N 3.254 117.787 114.554 -0.036 0.000 2.714 47 T HA -0.316 4.035 4.350 0.001 0.000 0.268 47 T C 1.830 176.543 174.700 0.021 0.000 1.036 47 T CA 2.398 64.518 62.100 0.034 0.000 1.148 47 T CB -0.081 68.778 68.868 -0.014 0.000 0.856 47 T HN 0.656 nan 8.240 nan 0.000 0.462 48 Q N 0.041 119.816 119.800 -0.042 0.000 2.096 48 Q HA -0.080 4.260 4.340 0.001 0.000 0.204 48 Q C 2.195 178.135 176.000 -0.099 0.000 0.982 48 Q CA 1.953 57.725 55.803 -0.051 0.000 0.850 48 Q CB -0.785 27.918 28.738 -0.059 0.000 0.901 48 Q HN 0.445 nan 8.270 nan 0.000 0.422 49 V N 0.465 120.246 119.914 -0.221 0.000 2.370 49 V HA -0.258 3.862 4.120 0.001 0.000 0.252 49 V C 1.885 177.748 176.094 -0.384 0.000 1.068 49 V CA 2.000 64.071 62.300 -0.380 0.000 1.061 49 V CB -0.721 30.728 31.823 -0.622 0.000 0.656 49 V HN 0.341 nan 8.190 nan 0.000 0.455 50 F N -0.138 119.810 119.950 -0.004 0.000 2.387 50 F HA 0.095 4.622 4.527 0.001 0.000 0.294 50 F C 2.317 178.123 175.800 0.009 0.000 1.093 50 F CA 0.514 58.520 58.000 0.010 0.000 1.420 50 F CB -0.560 38.450 39.000 0.017 0.000 1.086 50 F HN 0.147 nan 8.300 nan 0.000 0.531 51 E N 0.802 121.090 120.200 0.146 0.000 2.017 51 E HA -0.196 4.154 4.350 0.001 0.000 0.193 51 E C 2.036 178.670 176.600 0.056 0.000 0.997 51 E CA 1.432 57.882 56.400 0.083 0.000 0.804 51 E CB -0.181 29.547 29.700 0.045 0.000 0.757 51 E HN 0.361 nan 8.360 nan 0.000 0.448 52 K N 0.238 120.654 120.400 0.026 0.000 2.025 52 K HA -0.076 4.244 4.320 0.001 0.000 0.207 52 K C 2.249 178.870 176.600 0.034 0.000 1.049 52 K CA 1.116 57.412 56.287 0.015 0.000 0.933 52 K CB -0.308 32.183 32.500 -0.014 0.000 0.714 52 K HN 0.138 nan 8.250 nan 0.000 0.438 53 G N 1.080 109.900 108.800 0.032 0.000 2.484 53 G HA2 -0.212 3.749 3.960 0.001 0.000 0.215 53 G HA3 -0.212 3.749 3.960 0.001 0.000 0.215 53 G C 1.547 176.570 174.900 0.204 0.000 1.219 53 G CA 0.872 46.014 45.100 0.071 0.000 0.791 53 G HN 0.107 nan 8.290 nan 0.000 0.550 54 V N 0.967 121.006 119.914 0.209 0.000 2.759 54 V HA 0.301 4.422 4.120 0.001 0.000 0.256 54 V C 1.417 177.539 176.094 0.047 0.000 1.080 54 V CA 0.867 63.258 62.300 0.151 0.000 1.101 54 V CB -1.434 30.471 31.823 0.137 0.000 0.698 54 V HN 1.136 nan 8.190 nan 0.000 0.477 55 G N -0.376 108.462 108.800 0.064 0.000 3.421 55 G HA2 0.163 4.123 3.960 0.001 0.000 0.686 55 G HA3 0.163 4.123 3.960 0.001 0.000 0.686 55 G C 0.289 175.205 174.900 0.026 0.000 1.056 55 G CA -0.222 44.899 45.100 0.035 0.000 0.891 55 G HN 0.731 nan 8.290 nan 0.000 0.514 56 A N 1.157 123.991 122.820 0.024 0.000 2.272 56 A HA 0.342 4.662 4.320 0.001 0.000 0.213 56 A C 2.402 179.991 177.584 0.009 0.000 1.183 56 A CA 2.407 54.455 52.037 0.017 0.000 0.719 56 A CB -0.133 18.875 19.000 0.014 0.000 0.771 56 A HN 2.364 nan 8.150 nan 0.000 0.484 57 A N -1.688 121.135 122.820 0.006 0.000 2.252 57 A HA 0.327 4.647 4.320 0.001 0.000 0.213 57 A C 1.277 178.858 177.584 -0.005 0.000 1.188 57 A CA 0.839 52.876 52.037 -0.000 0.000 0.863 57 A CB -0.292 18.708 19.000 0.000 0.000 0.893 57 A HN 0.359 nan 8.150 nan 0.000 0.495 58 T N -0.384 114.166 114.554 -0.006 0.000 2.899 58 T HA 0.220 4.571 4.350 0.001 0.000 0.295 58 T C 0.721 175.412 174.700 -0.015 0.000 1.033 58 T CA 0.131 62.223 62.100 -0.014 0.000 1.084 58 T CB 0.536 69.390 68.868 -0.023 0.000 0.979 58 T HN 0.298 nan 8.240 nan 0.000 0.532 59 D N 2.587 122.975 120.400 -0.020 0.000 2.123 59 D HA -0.079 4.561 4.640 0.001 0.000 0.196 59 D C 1.976 178.257 176.300 -0.032 0.000 0.992 59 D CA 1.303 55.289 54.000 -0.024 0.000 0.833 59 D CB -0.197 40.588 40.800 -0.026 0.000 0.954 59 D HN 0.588 nan 8.370 nan 0.000 0.455 60 I N 0.229 120.780 120.570 -0.031 0.000 2.069 60 I HA -0.295 3.876 4.170 0.001 0.000 0.237 60 I C 2.313 178.407 176.117 -0.039 0.000 1.053 60 I CA 0.975 62.251 61.300 -0.040 0.000 1.311 60 I CB -0.517 37.465 38.000 -0.029 0.000 1.030 60 I HN -0.040 nan 8.210 nan 0.000 0.398 61 V N 0.638 120.544 119.914 -0.013 0.000 2.295 61 V HA -0.254 3.866 4.120 0.001 0.000 0.246 61 V C 2.544 178.634 176.094 -0.007 0.000 1.049 61 V CA 1.853 64.156 62.300 0.005 0.000 1.024 61 V CB -0.784 31.057 31.823 0.029 0.000 0.648 61 V HN 0.355 nan 8.190 nan 0.000 0.447 62 R N 0.656 121.149 120.500 -0.012 0.000 2.115 62 R HA -0.097 4.244 4.340 0.001 0.000 0.230 62 R C 1.585 177.871 176.300 -0.023 0.000 1.111 62 R CA 1.526 57.617 56.100 -0.014 0.000 0.976 62 R CB -0.032 30.261 30.300 -0.012 0.000 0.870 62 R HN 0.689 nan 8.270 nan 0.000 0.445 63 K N -1.634 118.743 120.400 -0.038 0.000 2.646 63 K HA 0.153 4.474 4.320 0.001 0.000 0.177 63 K C -0.185 176.362 176.600 -0.089 0.000 1.222 63 K CA -0.106 56.151 56.287 -0.050 0.000 1.138 63 K CB 0.598 33.077 32.500 -0.035 0.000 0.955 63 K HN -0.080 nan 8.250 nan 0.000 0.524 64 E N 1.408 121.540 120.200 -0.114 0.000 2.876 64 E HA 0.296 4.647 4.350 0.001 0.000 0.208 64 E C -0.688 175.751 176.600 -0.269 0.000 0.981 64 E CA -0.202 56.087 56.400 -0.185 0.000 1.174 64 E CB 0.725 30.353 29.700 -0.120 0.000 1.047 64 E HN 0.256 nan 8.360 nan 0.000 0.477 65 M N 1.055 120.526 119.600 -0.216 0.000 2.149 65 M HA 0.338 4.819 4.480 0.001 0.000 0.342 65 M C -0.771 175.442 176.300 -0.143 0.000 1.068 65 M CA -0.754 54.438 55.300 -0.181 0.000 0.991 65 M CB 0.985 33.537 32.600 -0.080 0.000 1.596 65 M HN -0.046 nan 8.290 nan 0.000 0.439 66 F N 1.852 121.831 119.950 0.048 0.000 2.541 66 F HA 0.176 4.704 4.527 0.001 0.000 0.347 66 F C 1.056 176.911 175.800 0.091 0.000 1.242 66 F CA 0.050 58.098 58.000 0.081 0.000 1.123 66 F CB -0.066 38.984 39.000 0.083 0.000 1.354 66 F HN 0.366 nan 8.300 nan 0.000 0.621 67 T N 4.943 119.624 114.554 0.211 0.000 2.855 67 T HA 0.753 5.103 4.350 0.001 0.000 0.281 67 T C -0.668 174.102 174.700 0.117 0.000 1.007 67 T CA -0.362 61.764 62.100 0.044 0.000 1.009 67 T CB 0.569 69.428 68.868 -0.014 0.000 0.983 67 T HN 0.302 nan 8.240 nan 0.000 0.455 68 F N 0.856 120.803 119.950 -0.006 0.000 2.715 68 F HA 0.682 5.209 4.527 0.001 0.000 0.318 68 F C -0.903 174.857 175.800 -0.067 0.000 1.141 68 F CA -1.364 56.613 58.000 -0.039 0.000 0.950 68 F CB 1.200 40.159 39.000 -0.068 0.000 1.374 68 F HN 0.407 nan 8.300 nan 0.000 0.477 69 Q N 1.294 121.210 119.800 0.194 0.000 2.256 69 Q HA 0.216 4.557 4.340 0.001 0.000 0.257 69 Q C -1.056 175.023 176.000 0.130 0.000 0.936 69 Q CA -1.042 54.800 55.803 0.065 0.000 0.903 69 Q CB 1.812 30.572 28.738 0.037 0.000 1.263 69 Q HN 0.618 nan 8.270 nan 0.000 0.440 70 D N 1.509 121.919 120.400 0.017 0.000 2.419 70 D HA -0.108 4.532 4.640 0.001 0.000 0.236 70 D C -0.134 176.181 176.300 0.025 0.000 1.165 70 D CA 0.334 54.343 54.000 0.015 0.000 0.882 70 D CB 0.724 41.506 40.800 -0.030 0.000 1.201 70 D HN 0.416 nan 8.370 nan 0.000 0.443 71 R N 1.702 122.213 120.500 0.019 0.000 4.113 71 R HA 0.260 4.600 4.340 0.001 0.000 0.179 71 R C 0.210 176.513 176.300 0.005 0.000 1.781 71 R CA 0.413 56.518 56.100 0.008 0.000 1.402 71 R CB -0.979 29.322 30.300 0.001 0.000 1.375 71 R HN 0.536 nan 8.270 nan 0.000 0.786 72 G N 0.229 109.031 108.800 0.003 0.000 2.370 72 G HA2 0.122 4.082 3.960 0.001 0.000 0.225 72 G HA3 0.122 4.082 3.960 0.001 0.000 0.225 72 G C 0.249 175.146 174.900 -0.005 0.000 1.109 72 G CA -0.476 44.624 45.100 -0.001 0.000 0.871 72 G HN 0.906 nan 8.290 nan 0.000 0.498 73 G N 0.262 109.057 108.800 -0.007 0.000 2.979 73 G HA2 0.005 3.966 3.960 0.001 0.000 0.238 73 G HA3 0.005 3.966 3.960 0.001 0.000 0.238 73 G C 0.404 175.288 174.900 -0.028 0.000 1.805 73 G CA 0.373 45.465 45.100 -0.015 0.000 1.389 73 G HN 1.215 nan 8.290 nan 0.000 0.517 74 R N 1.317 121.795 120.500 -0.036 0.000 2.652 74 R HA 0.265 4.605 4.340 0.001 0.000 0.266 74 R C 0.680 176.921 176.300 -0.098 0.000 0.866 74 R CA 1.078 57.142 56.100 -0.059 0.000 1.107 74 R CB 0.061 30.327 30.300 -0.057 0.000 0.884 74 R HN 0.665 nan 8.270 nan 0.000 0.421 75 S N 3.564 119.200 115.700 -0.106 0.000 2.439 75 S HA 0.403 4.874 4.470 0.001 0.000 0.282 75 S C -0.641 173.819 174.600 -0.232 0.000 1.170 75 S CA -0.735 57.372 58.200 -0.155 0.000 1.054 75 S CB 0.139 63.280 63.200 -0.098 0.000 0.956 75 S HN 0.279 nan 8.310 nan 0.000 0.490 76 L N 4.404 125.349 121.223 -0.464 0.000 2.330 76 L HA 0.666 5.006 4.340 0.001 0.000 0.271 76 L C 0.323 176.795 176.870 -0.663 0.000 1.013 76 L CA -0.119 54.374 54.840 -0.577 0.000 0.816 76 L CB 1.981 43.502 42.059 -0.897 0.000 1.287 76 L HN 0.613 nan 8.230 nan 0.000 0.435 77 T N 1.876 116.288 114.554 -0.237 0.000 2.916 77 T HA 0.464 4.814 4.350 0.001 0.000 0.298 77 T C -0.789 174.030 174.700 0.197 0.000 1.031 77 T CA -0.559 61.518 62.100 -0.037 0.000 0.993 77 T CB 1.558 70.508 68.868 0.136 0.000 1.045 77 T HN 0.121 nan 8.240 nan 0.000 0.454 78 L N 3.812 125.169 121.223 0.223 0.000 2.500 78 L HA 0.223 4.563 4.340 0.001 0.000 0.272 78 L C 1.248 178.246 176.870 0.214 0.000 1.149 78 L CA 0.067 55.084 54.840 0.296 0.000 0.897 78 L CB -0.021 42.154 42.059 0.194 0.000 1.178 78 L HN 0.525 nan 8.230 nan 0.000 0.473 79 R N 7.954 128.599 120.500 0.242 0.000 2.614 79 R HA -0.069 4.271 4.340 0.001 0.000 0.335 79 R C -1.917 174.268 176.300 -0.191 0.000 0.859 79 R CA -0.275 55.766 56.100 -0.098 0.000 1.123 79 R CB 0.358 30.779 30.300 0.201 0.000 0.887 79 R HN 0.441 nan 8.270 nan 0.000 0.407 80 P HA 0.078 nan 4.420 nan 0.000 0.245 80 P C -0.305 176.917 177.300 -0.130 0.000 1.199 80 P CA 0.588 63.542 63.100 -0.244 0.000 0.807 80 P CB 0.546 32.086 31.700 -0.267 0.000 1.002 81 E N -0.853 119.267 120.200 -0.133 0.000 2.388 81 E HA 0.319 4.669 4.350 0.001 0.000 0.280 81 E C -0.289 176.362 176.600 0.084 0.000 1.019 81 E CA -0.476 55.937 56.400 0.022 0.000 0.806 81 E CB 0.926 30.681 29.700 0.091 0.000 1.246 81 E HN -0.114 nan 8.360 nan 0.000 0.443 82 G N 1.039 109.867 108.800 0.046 0.000 2.545 82 G HA2 -0.079 3.881 3.960 0.001 0.000 0.212 82 G HA3 -0.079 3.881 3.960 0.001 0.000 0.212 82 G C 1.046 175.920 174.900 -0.043 0.000 1.144 82 G CA 1.189 46.301 45.100 0.020 0.000 0.813 82 G HN 0.571 nan 8.290 nan 0.000 0.531 83 T N 2.337 116.812 114.554 -0.131 0.000 2.592 83 T HA -0.244 4.107 4.350 0.001 0.000 0.267 83 T C 2.784 177.249 174.700 -0.393 0.000 1.060 83 T CA 2.084 63.953 62.100 -0.385 0.000 1.167 83 T CB -0.670 67.747 68.868 -0.752 0.000 0.863 83 T HN 0.371 nan 8.240 nan 0.000 0.431 84 A N 1.690 124.330 122.820 -0.300 0.000 1.892 84 A HA -0.010 4.311 4.320 0.001 0.000 0.218 84 A C 2.707 180.169 177.584 -0.204 0.000 1.188 84 A CA 2.401 54.287 52.037 -0.251 0.000 0.631 84 A CB -1.318 17.623 19.000 -0.098 0.000 0.822 84 A HN 0.601 nan 8.150 nan 0.000 0.447 85 A N -0.991 121.759 122.820 -0.117 0.000 1.877 85 A HA -0.131 4.190 4.320 0.001 0.000 0.216 85 A C 2.201 179.734 177.584 -0.084 0.000 1.186 85 A CA 1.992 53.970 52.037 -0.098 0.000 0.620 85 A CB -0.505 18.503 19.000 0.012 0.000 0.822 85 A HN 0.457 nan 8.150 nan 0.000 0.443 86 M N -0.331 119.214 119.600 -0.091 0.000 2.149 86 M HA -0.121 4.360 4.480 0.001 0.000 0.261 86 M C 2.184 178.457 176.300 -0.046 0.000 1.064 86 M CA 1.317 56.578 55.300 -0.066 0.000 1.102 86 M CB -1.229 31.313 32.600 -0.096 0.000 1.369 86 M HN 0.265 nan 8.290 nan 0.000 0.408 87 V N -0.130 119.716 119.914 -0.114 0.000 2.427 87 V HA -0.197 3.924 4.120 0.001 0.000 0.248 87 V C 2.646 178.718 176.094 -0.037 0.000 1.051 87 V CA 1.390 63.636 62.300 -0.091 0.000 1.048 87 V CB -0.811 30.910 31.823 -0.170 0.000 0.666 87 V HN 0.428 nan 8.190 nan 0.000 0.456 88 R N 0.839 121.287 120.500 -0.086 0.000 2.081 88 R HA -0.154 4.187 4.340 0.001 0.000 0.235 88 R C 2.250 178.511 176.300 -0.065 0.000 1.131 88 R CA 2.007 58.051 56.100 -0.093 0.000 0.960 88 R CB -0.647 29.569 30.300 -0.140 0.000 0.856 88 R HN 0.471 nan 8.270 nan 0.000 0.436 89 A N -0.051 122.756 122.820 -0.023 0.000 1.902 89 A HA -0.212 4.108 4.320 0.001 0.000 0.217 89 A C 2.137 179.750 177.584 0.048 0.000 1.181 89 A CA 1.344 53.406 52.037 0.042 0.000 0.623 89 A CB -0.958 18.108 19.000 0.110 0.000 0.818 89 A HN 0.543 nan 8.150 nan 0.000 0.443 90 Y N 0.199 120.438 120.300 -0.101 0.000 2.114 90 Y HA -0.243 4.307 4.550 0.000 0.000 0.282 90 Y C 1.950 177.730 175.900 -0.201 0.000 1.165 90 Y CA 2.021 60.011 58.100 -0.184 0.000 1.148 90 Y CB -0.314 38.047 38.460 -0.165 0.000 0.972 90 Y HN 0.219 nan 8.280 nan 0.000 0.504 91 L N 0.688 121.942 121.223 0.053 0.000 1.994 91 L HA -0.210 4.130 4.340 0.001 0.000 0.208 91 L C 2.556 179.331 176.870 -0.159 0.000 1.071 91 L CA 2.302 57.121 54.840 -0.036 0.000 0.745 91 L CB -1.436 40.613 42.059 -0.017 0.000 0.892 91 L HN 0.369 nan 8.230 nan 0.000 0.431 92 E N -0.992 119.088 120.200 -0.200 0.000 2.070 92 E HA -0.257 4.093 4.350 0.001 0.000 0.197 92 E C 1.679 178.052 176.600 -0.379 0.000 1.004 92 E CA 1.445 57.658 56.400 -0.312 0.000 0.805 92 E CB -0.058 29.386 29.700 -0.426 0.000 0.744 92 E HN 0.580 nan 8.360 nan 0.000 0.451 93 H N -1.016 117.950 119.070 -0.173 0.000 2.543 93 H HA 0.135 4.692 4.556 0.001 0.000 0.269 93 H C 1.016 176.180 175.328 -0.274 0.000 1.005 93 H CA 0.732 56.678 56.048 -0.169 0.000 1.146 93 H CB 0.353 30.036 29.762 -0.131 0.000 1.353 93 H HN 0.414 nan 8.280 nan 0.000 0.595 94 G N 1.843 110.479 108.800 -0.273 0.000 2.341 94 G HA2 -0.350 3.610 3.960 0.001 0.000 0.292 94 G HA3 -0.350 3.610 3.960 0.001 0.000 0.292 94 G C 1.195 175.717 174.900 -0.630 0.000 1.021 94 G CA 0.640 45.544 45.100 -0.326 0.000 0.905 94 G HN 0.415 nan 8.290 nan 0.000 0.508 95 M N -0.336 118.563 119.600 -1.169 0.000 2.530 95 M HA -0.094 4.386 4.480 0.001 0.000 0.261 95 M C 2.598 178.101 176.300 -1.330 0.000 1.067 95 M CA 2.023 56.081 55.300 -2.070 0.000 1.071 95 M CB -0.420 30.792 32.600 -2.314 0.000 1.405 95 M HN 0.642 nan 8.290 nan 0.000 0.478 96 K N 0.989 120.862 120.400 -0.879 0.000 2.281 96 K HA -0.084 4.236 4.320 0.001 0.000 0.203 96 K C 1.319 177.857 176.600 -0.102 0.000 1.046 96 K CA 1.639 57.762 56.287 -0.272 0.000 0.938 96 K CB -0.650 31.801 32.500 -0.080 0.000 0.737 96 K HN 0.461 nan 8.250 nan 0.000 0.458 97 V N -2.969 116.877 119.914 -0.113 0.000 3.649 97 V HA 0.177 4.298 4.120 0.001 0.000 0.275 97 V C 0.140 176.388 176.094 0.257 0.000 1.281 97 V CA -0.872 61.472 62.300 0.073 0.000 1.143 97 V CB -0.984 30.889 31.823 0.082 0.000 0.892 97 V HN 0.186 nan 8.190 nan 0.000 0.441 98 W N 1.546 122.824 121.300 -0.037 0.000 2.253 98 W HA 0.558 5.219 4.660 0.001 0.000 0.348 98 W C -2.200 174.330 176.519 0.018 0.000 1.229 98 W CA -3.033 54.303 57.345 -0.015 0.000 1.335 98 W CB -0.409 29.035 29.460 -0.026 0.000 1.165 98 W HN -0.015 nan 8.180 nan 0.000 0.631 99 P HA -0.018 nan 4.420 nan 0.000 0.267 99 P C -0.367 177.050 177.300 0.195 0.000 1.209 99 P CA 0.244 63.445 63.100 0.169 0.000 0.763 99 P CB 0.862 32.626 31.700 0.107 0.000 0.816 100 Q N 3.727 123.622 119.800 0.158 0.000 2.260 100 Q HA 0.397 4.738 4.340 0.001 0.000 0.242 100 Q C -1.585 174.486 176.000 0.119 0.000 0.932 100 Q CA -1.538 54.356 55.803 0.152 0.000 0.891 100 Q CB 0.020 28.833 28.738 0.126 0.000 1.222 100 Q HN 0.485 nan 8.270 nan 0.000 0.453 101 P HA 0.262 nan 4.420 nan 0.000 0.281 101 P C -0.784 176.624 177.300 0.180 0.000 1.249 101 P CA -0.509 62.668 63.100 0.128 0.000 0.810 101 P CB 0.913 32.669 31.700 0.093 0.000 1.008 102 V N 3.513 123.559 119.914 0.220 0.000 2.334 102 V HA 0.242 4.363 4.120 0.001 0.000 0.267 102 V C 0.911 177.128 176.094 0.204 0.000 1.040 102 V CA -0.419 62.056 62.300 0.293 0.000 0.866 102 V CB -0.053 32.018 31.823 0.414 0.000 1.019 102 V HN 0.466 nan 8.190 nan 0.000 0.468 103 R N 5.536 126.161 120.500 0.208 0.000 2.265 103 R HA 0.733 5.073 4.340 0.001 0.000 0.319 103 R C -1.010 175.413 176.300 0.204 0.000 1.006 103 R CA -0.406 55.793 56.100 0.164 0.000 0.880 103 R CB 1.163 31.634 30.300 0.284 0.000 1.077 103 R HN 0.578 nan 8.270 nan 0.000 0.454 104 L N 3.495 124.785 121.223 0.112 0.000 2.388 104 L HA 0.660 5.000 4.340 0.001 0.000 0.264 104 L C -0.695 176.311 176.870 0.226 0.000 0.998 104 L CA -0.948 53.991 54.840 0.164 0.000 0.817 104 L CB 1.808 43.919 42.059 0.086 0.000 1.338 104 L HN 0.680 nan 8.230 nan 0.000 0.414 105 W N 3.546 124.881 121.300 0.059 0.000 3.075 105 W HA 0.797 5.457 4.660 0.001 0.000 0.334 105 W C -1.668 174.866 176.519 0.023 0.000 1.243 105 W CA -1.040 56.337 57.345 0.053 0.000 1.170 105 W CB 1.831 31.374 29.460 0.138 0.000 1.452 105 W HN 0.662 nan 8.180 nan 0.000 0.572 106 M N 1.856 121.321 119.600 -0.225 0.000 3.069 106 M HA 0.801 5.282 4.480 0.001 0.000 0.274 106 M C -2.148 174.061 176.300 -0.152 0.000 1.146 106 M CA -0.667 54.287 55.300 -0.578 0.000 0.807 106 M CB 1.759 34.145 32.600 -0.357 0.000 1.621 106 M HN 0.849 nan 8.290 nan 0.000 0.521 107 A N 0.447 123.168 122.820 -0.164 0.000 2.408 107 A HA 0.992 5.313 4.320 0.001 0.000 0.295 107 A C -0.548 177.019 177.584 -0.028 0.000 1.040 107 A CA 0.092 52.121 52.037 -0.013 0.000 0.707 107 A CB 1.473 20.540 19.000 0.112 0.000 1.235 107 A HN 1.735 nan 8.150 nan 0.000 0.418 108 G N 1.310 110.102 108.800 -0.013 0.000 2.488 108 G HA2 0.773 4.734 3.960 0.001 0.000 0.301 108 G HA3 0.773 4.734 3.960 0.001 0.000 0.301 108 G C -3.500 171.347 174.900 -0.089 0.000 1.339 108 G CA -0.814 44.288 45.100 0.003 0.000 0.803 108 G HN 0.556 nan 8.290 nan 0.000 0.482 109 P HA 0.495 nan 4.420 nan 0.000 0.282 109 P C -0.928 175.716 177.300 -1.094 0.000 1.249 109 P CA -0.250 62.378 63.100 -0.786 0.000 0.806 109 P CB 1.574 32.895 31.700 -0.631 0.000 0.984 110 M N 2.271 120.954 119.600 -1.528 0.000 2.530 110 M HA 0.469 4.949 4.480 0.001 0.000 0.307 110 M C -0.830 174.395 176.300 -1.792 0.000 1.161 110 M CA -0.501 53.866 55.300 -1.554 0.000 0.903 110 M CB 1.611 33.423 32.600 -1.313 0.000 1.711 110 M HN 0.215 nan 8.290 nan 0.000 0.451 111 F N 1.045 120.777 119.950 -0.364 0.000 2.507 111 F HA 0.657 5.184 4.527 0.001 0.000 0.328 111 F C -0.070 175.801 175.800 0.118 0.000 1.136 111 F CA -0.770 57.227 58.000 -0.004 0.000 0.930 111 F CB 1.449 40.574 39.000 0.209 0.000 1.166 111 F HN 0.426 nan 8.300 nan 0.000 0.436 112 R N 1.543 122.259 120.500 0.361 0.000 2.476 112 R HA 0.683 5.024 4.340 0.001 0.000 0.305 112 R C -0.390 175.850 176.300 -0.100 0.000 0.965 112 R CA -0.618 55.553 56.100 0.119 0.000 0.867 112 R CB 1.832 32.282 30.300 0.249 0.000 1.176 112 R HN 0.774 nan 8.270 nan 0.000 0.447 113 A N 4.479 126.909 122.820 -0.651 0.000 3.051 113 A HA 0.086 4.406 4.320 0.001 0.000 0.257 113 A C -0.188 177.261 177.584 -0.226 0.000 1.785 113 A CA -0.061 51.509 52.037 -0.778 0.000 1.420 113 A CB -0.695 17.617 19.000 -1.147 0.000 1.063 113 A HN 0.728 nan 8.150 nan 0.000 0.630 114 E N 0.245 120.415 120.200 -0.050 0.000 2.244 114 E HA 0.484 4.835 4.350 0.001 0.000 0.266 114 E C -0.857 175.776 176.600 0.055 0.000 0.914 114 E CA -1.184 55.214 56.400 -0.003 0.000 0.794 114 E CB 1.085 30.782 29.700 -0.005 0.000 1.210 114 E HN 0.382 nan 8.360 nan 0.000 0.414 115 R N 2.231 122.757 120.500 0.044 0.000 2.446 115 R HA 0.147 4.487 4.340 0.001 0.000 0.314 115 R C -2.034 174.310 176.300 0.074 0.000 1.003 115 R CA -1.153 54.984 56.100 0.061 0.000 1.018 115 R CB -0.530 29.795 30.300 0.042 0.000 0.945 115 R HN 0.396 nan 8.270 nan 0.000 0.419 116 P HA -0.001 nan 4.420 nan 0.000 0.272 116 P C -0.834 176.527 177.300 0.103 0.000 1.223 116 P CA -0.269 62.907 63.100 0.127 0.000 0.784 116 P CB 0.816 32.607 31.700 0.151 0.000 0.923 117 Q N -0.825 119.046 119.800 0.120 0.000 2.832 117 Q HA 0.389 4.730 4.340 0.001 0.000 0.322 117 Q C -1.130 174.945 176.000 0.126 0.000 0.842 117 Q CA -1.227 54.633 55.803 0.095 0.000 0.780 117 Q CB 0.671 29.444 28.738 0.057 0.000 1.411 117 Q HN 0.038 nan 8.270 nan 0.000 0.490 118 K N 0.149 120.606 120.400 0.096 0.000 2.361 118 K HA 0.257 4.578 4.320 0.001 0.000 0.283 118 K C 0.512 177.136 176.600 0.040 0.000 1.078 118 K CA 1.597 57.946 56.287 0.104 0.000 1.041 118 K CB -0.278 32.266 32.500 0.073 0.000 0.932 118 K HN 0.815 nan 8.250 nan 0.000 0.462 119 G N 3.468 112.274 108.800 0.011 0.000 2.284 119 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 119 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 119 G C -0.028 174.657 174.900 -0.359 0.000 1.009 119 G CA -0.585 44.377 45.100 -0.229 0.000 0.625 119 G HN 0.557 nan 8.290 nan 0.000 0.501 120 R N 0.963 121.396 120.500 -0.112 0.000 2.233 120 R HA 0.537 4.877 4.340 0.001 0.000 0.334 120 R C -0.798 175.637 176.300 0.226 0.000 1.037 120 R CA -0.470 55.590 56.100 -0.066 0.000 0.920 120 R CB 0.467 30.754 30.300 -0.022 0.000 1.137 120 R HN 0.230 nan 8.270 nan 0.000 0.492 121 Y N 0.802 121.130 120.300 0.048 0.000 2.453 121 Y HA 0.301 4.851 4.550 0.001 0.000 0.326 121 Y C 1.530 177.595 175.900 0.275 0.000 1.186 121 Y CA -1.754 56.446 58.100 0.167 0.000 1.200 121 Y CB 0.997 39.590 38.460 0.223 0.000 1.247 121 Y HN 0.312 nan 8.280 nan 0.000 0.482 122 R N -0.124 120.645 120.500 0.449 0.000 2.161 122 R HA 0.012 4.352 4.340 0.001 0.000 0.213 122 R C 0.065 176.662 176.300 0.496 0.000 1.055 122 R CA 0.661 57.040 56.100 0.466 0.000 0.996 122 R CB 0.376 30.936 30.300 0.434 0.000 0.901 122 R HN 0.611 nan 8.270 nan 0.000 0.456 123 Q N 0.532 120.568 119.800 0.394 0.000 2.320 123 Q HA 0.270 4.611 4.340 0.001 0.000 0.268 123 Q C -1.488 174.612 176.000 0.168 0.000 1.023 123 Q CA -0.710 55.181 55.803 0.147 0.000 0.744 123 Q CB 1.003 29.847 28.738 0.178 0.000 1.246 123 Q HN 0.012 nan 8.270 nan 0.000 0.462 124 F N -0.123 119.758 119.950 -0.114 0.000 2.679 124 F HA 0.700 5.227 4.527 0.001 0.000 0.341 124 F C -1.166 174.419 175.800 -0.359 0.000 1.095 124 F CA -1.184 56.791 58.000 -0.042 0.000 1.004 124 F CB 1.030 40.023 39.000 -0.012 0.000 1.388 124 F HN 0.410 nan 8.300 nan 0.000 0.505 125 H N -0.445 118.714 119.070 0.148 0.000 2.600 125 H HA 0.552 5.108 4.556 0.001 0.000 0.357 125 H C -1.230 174.117 175.328 0.032 0.000 1.106 125 H CA -0.797 55.248 56.048 -0.005 0.000 1.193 125 H CB 1.933 31.722 29.762 0.045 0.000 1.594 125 H HN 0.683 nan 8.280 nan 0.000 0.526 126 Q N 0.972 120.799 119.800 0.045 0.000 2.379 126 Q HA 0.652 4.992 4.340 0.001 0.000 0.278 126 Q C -1.689 174.197 176.000 -0.189 0.000 1.068 126 Q CA -1.201 54.562 55.803 -0.066 0.000 0.816 126 Q CB 2.197 30.954 28.738 0.032 0.000 1.387 126 Q HN 0.345 nan 8.270 nan 0.000 0.413 127 V N 2.275 121.895 119.914 -0.490 0.000 2.465 127 V HA 0.334 4.454 4.120 0.001 0.000 0.279 127 V C -0.557 175.389 176.094 -0.247 0.000 1.045 127 V CA -0.417 61.657 62.300 -0.376 0.000 0.938 127 V CB 1.060 32.477 31.823 -0.677 0.000 0.986 127 V HN 0.866 nan 8.190 nan 0.000 0.467 128 N N 2.902 121.561 118.700 -0.070 0.000 2.354 128 N HA 0.494 5.234 4.740 0.001 0.000 0.287 128 N C -1.542 173.938 175.510 -0.051 0.000 1.016 128 N CA -0.567 52.422 53.050 -0.102 0.000 0.871 128 N CB 1.426 39.873 38.487 -0.068 0.000 1.299 128 N HN 0.638 nan 8.380 nan 0.000 0.482 129 Y N 2.033 122.065 120.300 -0.448 0.000 2.429 129 Y HA 0.651 5.202 4.550 0.001 0.000 0.342 129 Y C -1.092 174.737 175.900 -0.117 0.000 1.004 129 Y CA -0.637 57.272 58.100 -0.318 0.000 1.075 129 Y CB 1.636 39.695 38.460 -0.670 0.000 1.214 129 Y HN 0.497 nan 8.280 nan 0.000 0.455 130 E N 2.792 122.453 120.200 -0.899 0.000 2.331 130 E HA 0.780 5.131 4.350 0.001 0.000 0.275 130 E C -1.773 174.420 176.600 -0.678 0.000 0.895 130 E CA -0.669 55.384 56.400 -0.578 0.000 0.753 130 E CB 2.110 31.689 29.700 -0.203 0.000 1.216 130 E HN 0.710 nan 8.360 nan 0.000 0.434 131 A N 3.835 126.457 122.820 -0.329 0.000 2.466 131 A HA 0.629 4.949 4.320 0.001 0.000 0.291 131 A C -1.334 176.194 177.584 -0.093 0.000 1.234 131 A CA -0.500 51.454 52.037 -0.138 0.000 0.752 131 A CB 0.047 19.051 19.000 0.006 0.000 1.153 131 A HN 0.463 nan 8.150 nan 0.000 0.458 132 L N 1.285 122.453 121.223 -0.092 0.000 2.334 132 L HA 0.793 5.134 4.340 0.001 0.000 0.272 132 L C 1.277 178.058 176.870 -0.148 0.000 1.020 132 L CA 0.109 54.817 54.840 -0.219 0.000 0.812 132 L CB 1.840 43.611 42.059 -0.479 0.000 1.264 132 L HN 1.140 nan 8.230 nan 0.000 0.439 133 G N 0.837 109.515 108.800 -0.203 0.000 2.179 133 G HA2 -0.212 3.748 3.960 0.001 0.000 0.220 133 G HA3 -0.212 3.748 3.960 0.001 0.000 0.220 133 G C -0.013 174.873 174.900 -0.023 0.000 0.990 133 G CA 0.119 45.179 45.100 -0.066 0.000 0.646 133 G HN 0.713 nan 8.290 nan 0.000 0.517 134 S N -1.138 114.537 115.700 -0.042 0.000 2.537 134 S HA 0.583 5.053 4.470 0.001 0.000 0.270 134 S C 0.300 174.897 174.600 -0.005 0.000 1.142 134 S CA 0.586 58.783 58.200 -0.005 0.000 0.870 134 S CB 1.883 65.098 63.200 0.025 0.000 1.112 134 S HN 0.419 nan 8.310 nan 0.000 0.466 135 E N 2.648 122.864 120.200 0.026 0.000 2.447 135 E HA 0.169 4.520 4.350 0.001 0.000 0.195 135 E C 0.426 177.137 176.600 0.185 0.000 1.028 135 E CA 0.165 56.606 56.400 0.068 0.000 0.876 135 E CB 0.068 29.795 29.700 0.045 0.000 0.885 135 E HN 0.573 nan 8.360 nan 0.000 0.500 136 N N 2.203 120.970 118.700 0.112 0.000 2.315 136 N HA -0.071 4.670 4.740 0.001 0.000 0.270 136 N C -1.655 173.900 175.510 0.075 0.000 1.329 136 N CA -0.563 52.538 53.050 0.087 0.000 0.860 136 N CB 1.053 39.568 38.487 0.047 0.000 1.095 136 N HN 0.107 nan 8.380 nan 0.000 0.487 137 P HA -0.141 nan 4.420 nan 0.000 0.226 137 P C 1.515 178.812 177.300 -0.005 0.000 1.146 137 P CA 0.871 63.833 63.100 -0.230 0.000 0.773 137 P CB 0.284 31.601 31.700 -0.638 0.000 0.772 138 I N -0.556 120.011 120.570 -0.005 0.000 2.252 138 I HA -0.213 3.958 4.170 0.001 0.000 0.245 138 I C 2.542 178.631 176.117 -0.047 0.000 1.102 138 I CA 1.150 62.373 61.300 -0.127 0.000 1.385 138 I CB -0.549 37.337 38.000 -0.191 0.000 1.064 138 I HN -0.107 nan 8.210 nan 0.000 0.414 139 L N 0.290 121.528 121.223 0.026 0.000 2.083 139 L HA -0.232 4.108 4.340 0.001 0.000 0.209 139 L C 1.950 178.894 176.870 0.124 0.000 1.083 139 L CA 1.426 56.321 54.840 0.092 0.000 0.752 139 L CB -0.813 41.310 42.059 0.106 0.000 0.899 139 L HN 0.249 nan 8.230 nan 0.000 0.433 140 D N 0.446 120.910 120.400 0.107 0.000 2.117 140 D HA -0.146 4.495 4.640 0.001 0.000 0.198 140 D C 2.282 178.567 176.300 -0.026 0.000 0.982 140 D CA 1.382 55.449 54.000 0.112 0.000 0.828 140 D CB -0.103 40.788 40.800 0.152 0.000 0.967 140 D HN 0.297 nan 8.370 nan 0.000 0.464 141 A N 0.697 123.494 122.820 -0.038 0.000 1.877 141 A HA -0.241 4.080 4.320 0.001 0.000 0.216 141 A C 2.103 179.616 177.584 -0.119 0.000 1.186 141 A CA 1.780 53.755 52.037 -0.102 0.000 0.620 141 A CB -0.731 18.257 19.000 -0.020 0.000 0.822 141 A HN 0.256 nan 8.150 nan 0.000 0.443 142 E N -0.101 120.066 120.200 -0.054 0.000 2.070 142 E HA -0.192 4.158 4.350 0.001 0.000 0.197 142 E C 2.168 178.763 176.600 -0.007 0.000 1.004 142 E CA 1.293 57.677 56.400 -0.026 0.000 0.805 142 E CB -0.308 29.413 29.700 0.036 0.000 0.744 142 E HN 0.530 nan 8.360 nan 0.000 0.451 143 A N 0.489 123.377 122.820 0.113 0.000 1.873 143 A HA -0.209 4.111 4.320 0.001 0.000 0.218 143 A C 2.448 179.979 177.584 -0.088 0.000 1.193 143 A CA 1.961 54.170 52.037 0.287 0.000 0.629 143 A CB -0.942 18.374 19.000 0.527 0.000 0.826 143 A HN 0.249 nan 8.150 nan 0.000 0.447 144 V N -0.287 119.357 119.914 -0.450 0.000 2.343 144 V HA -0.241 3.880 4.120 0.001 0.000 0.247 144 V C 2.564 178.461 176.094 -0.328 0.000 1.051 144 V CA 1.981 63.880 62.300 -0.668 0.000 1.036 144 V CB -0.928 30.446 31.823 -0.749 0.000 0.654 144 V HN 0.390 nan 8.190 nan 0.000 0.451 145 V N -0.207 119.574 119.914 -0.222 0.000 2.295 145 V HA -0.250 3.870 4.120 0.001 0.000 0.246 145 V C 2.330 178.371 176.094 -0.089 0.000 1.049 145 V CA 1.903 64.137 62.300 -0.109 0.000 1.024 145 V CB -0.630 31.141 31.823 -0.088 0.000 0.648 145 V HN 0.425 nan 8.190 nan 0.000 0.447 146 L N -0.654 120.479 121.223 -0.149 0.000 1.989 146 L HA -0.208 4.132 4.340 0.001 0.000 0.211 146 L C 2.529 179.245 176.870 -0.257 0.000 1.071 146 L CA 1.511 56.258 54.840 -0.156 0.000 0.749 146 L CB -0.716 41.251 42.059 -0.153 0.000 0.890 146 L HN 0.353 nan 8.230 nan 0.000 0.431 147 L N -0.849 119.982 121.223 -0.653 0.000 2.012 147 L HA -0.285 4.056 4.340 0.001 0.000 0.210 147 L C 2.487 179.157 176.870 -0.333 0.000 1.073 147 L CA 1.848 56.183 54.840 -0.842 0.000 0.748 147 L CB -0.908 40.497 42.059 -1.091 0.000 0.891 147 L HN 0.179 nan 8.230 nan 0.000 0.431 148 Y N 0.438 120.549 120.300 -0.316 0.000 2.128 148 Y HA -0.230 4.320 4.550 0.001 0.000 0.284 148 Y C 2.504 178.294 175.900 -0.183 0.000 1.154 148 Y CA 2.136 60.114 58.100 -0.204 0.000 1.149 148 Y CB -0.128 38.237 38.460 -0.158 0.000 0.976 148 Y HN 0.294 nan 8.280 nan 0.000 0.505 149 E N -0.593 119.517 120.200 -0.150 0.000 2.077 149 E HA -0.210 4.141 4.350 0.001 0.000 0.193 149 E C 2.474 178.937 176.600 -0.228 0.000 0.989 149 E CA 1.332 57.618 56.400 -0.190 0.000 0.800 149 E CB -0.920 28.726 29.700 -0.091 0.000 0.746 149 E HN 0.532 nan 8.360 nan 0.000 0.452 150 C N 0.625 119.801 119.300 -0.207 0.000 2.398 150 C HA -0.138 4.323 4.460 0.001 0.000 0.276 150 C C 2.825 177.623 174.990 -0.320 0.000 1.222 150 C CA 0.648 59.546 59.018 -0.200 0.000 1.746 150 C CB -1.222 26.447 27.740 -0.119 0.000 2.039 150 C HN 0.361 nan 8.230 nan 0.000 0.470 151 L N 0.213 121.185 121.223 -0.419 0.000 2.156 151 L HA -0.075 4.266 4.340 0.001 0.000 0.208 151 L C 2.547 179.191 176.870 -0.377 0.000 1.095 151 L CA 1.112 55.698 54.840 -0.424 0.000 0.770 151 L CB -0.629 41.184 42.059 -0.410 0.000 0.914 151 L HN 0.196 nan 8.230 nan 0.000 0.439 152 K N 0.467 120.611 120.400 -0.427 0.000 2.025 152 K HA -0.139 4.181 4.320 0.001 0.000 0.207 152 K C 2.099 178.544 176.600 -0.259 0.000 1.049 152 K CA 1.218 57.270 56.287 -0.392 0.000 0.933 152 K CB -0.061 32.142 32.500 -0.494 0.000 0.714 152 K HN 0.103 nan 8.250 nan 0.000 0.438 153 E N 0.404 120.468 120.200 -0.226 0.000 2.160 153 E HA -0.171 4.179 4.350 0.001 0.000 0.195 153 E C 1.883 178.374 176.600 -0.182 0.000 0.991 153 E CA 0.959 57.261 56.400 -0.164 0.000 0.810 153 E CB -0.143 29.477 29.700 -0.134 0.000 0.742 153 E HN 0.353 nan 8.360 nan 0.000 0.466 154 L N -0.544 120.533 121.223 -0.244 0.000 2.456 154 L HA -0.063 4.278 4.340 0.001 0.000 0.224 154 L C 1.657 178.234 176.870 -0.488 0.000 1.148 154 L CA 0.827 55.481 54.840 -0.311 0.000 0.825 154 L CB -0.258 41.605 42.059 -0.326 0.000 0.937 154 L HN 0.300 nan 8.230 nan 0.000 0.450 155 G N -0.546 108.024 108.800 -0.383 0.000 2.201 155 G HA2 -0.225 3.735 3.960 0.001 0.000 0.212 155 G HA3 -0.225 3.735 3.960 0.001 0.000 0.212 155 G C 0.245 174.989 174.900 -0.260 0.000 0.994 155 G CA -0.491 44.401 45.100 -0.345 0.000 0.644 155 G HN 0.141 nan 8.290 nan 0.000 0.508 156 L N 0.672 121.702 121.223 -0.320 0.000 2.453 156 L HA 0.370 4.710 4.340 0.001 0.000 0.272 156 L C 1.811 178.652 176.870 -0.049 0.000 1.182 156 L CA -0.163 54.597 54.840 -0.133 0.000 0.858 156 L CB 0.579 42.538 42.059 -0.167 0.000 1.120 156 L HN 0.134 nan 8.230 nan 0.000 0.474 157 R N 1.923 122.458 120.500 0.058 0.000 2.276 157 R HA 0.129 4.469 4.340 0.001 0.000 0.195 157 R C 0.539 176.864 176.300 0.041 0.000 0.908 157 R CA 0.093 56.217 56.100 0.040 0.000 1.083 157 R CB 0.211 30.553 30.300 0.071 0.000 1.182 157 R HN 0.447 nan 8.270 nan 0.000 0.608 158 R N 1.902 122.437 120.500 0.057 0.000 4.164 158 R HA 0.220 4.560 4.340 0.001 0.000 0.195 158 R C -0.567 175.684 176.300 -0.083 0.000 1.712 158 R CA 0.123 56.198 56.100 -0.041 0.000 1.457 158 R CB -0.052 30.168 30.300 -0.133 0.000 1.387 158 R HN -0.146 nan 8.270 nan 0.000 0.785 159 L N 0.829 122.068 121.223 0.028 0.000 2.334 159 L HA 0.515 4.856 4.340 0.001 0.000 0.270 159 L C 0.178 177.101 176.870 0.089 0.000 1.018 159 L CA -0.758 54.131 54.840 0.082 0.000 0.811 159 L CB 1.264 43.392 42.059 0.114 0.000 1.271 159 L HN 0.172 nan 8.230 nan 0.000 0.443 160 K N 1.973 122.438 120.400 0.108 0.000 2.621 160 K HA 0.395 4.715 4.320 0.001 0.000 0.233 160 K C -1.014 175.655 176.600 0.116 0.000 0.972 160 K CA -0.469 55.866 56.287 0.081 0.000 0.988 160 K CB 1.864 34.381 32.500 0.028 0.000 1.187 160 K HN 0.253 nan 8.250 nan 0.000 0.471 161 V N 3.037 123.024 119.914 0.122 0.000 2.614 161 V HA 0.218 4.338 4.120 0.001 0.000 0.291 161 V C 0.337 176.504 176.094 0.120 0.000 1.049 161 V CA -0.222 62.159 62.300 0.136 0.000 1.038 161 V CB 0.495 32.368 31.823 0.083 0.000 0.980 161 V HN 0.440 nan 8.190 nan 0.000 0.481 162 K N 4.719 125.201 120.400 0.136 0.000 2.502 162 K HA 0.588 4.909 4.320 0.001 0.000 0.254 162 K C -1.223 175.466 176.600 0.149 0.000 0.947 162 K CA -0.723 55.627 56.287 0.106 0.000 0.834 162 K CB 2.149 34.654 32.500 0.009 0.000 1.112 162 K HN 0.426 nan 8.250 nan 0.000 0.427 163 L N 1.263 122.574 121.223 0.148 0.000 2.334 163 L HA 0.676 5.016 4.340 0.001 0.000 0.272 163 L C -0.369 176.555 176.870 0.090 0.000 1.020 163 L CA 0.230 55.132 54.840 0.104 0.000 0.812 163 L CB 1.904 43.929 42.059 -0.056 0.000 1.264 163 L HN 0.740 nan 8.230 nan 0.000 0.439 164 S N 1.409 117.154 115.700 0.075 0.000 2.680 164 S HA 0.738 5.209 4.470 0.001 0.000 0.276 164 S C -1.718 172.912 174.600 0.049 0.000 1.189 164 S CA 0.036 58.264 58.200 0.048 0.000 0.909 164 S CB 0.519 63.735 63.200 0.025 0.000 1.227 164 S HN 1.078 nan 8.310 nan 0.000 0.501 165 S N -0.406 115.309 115.700 0.025 0.000 2.547 165 S HA 0.537 5.007 4.470 0.001 0.000 0.270 165 S C -0.238 174.363 174.600 0.002 0.000 1.150 165 S CA 0.103 58.322 58.200 0.031 0.000 0.850 165 S CB 1.272 64.498 63.200 0.043 0.000 1.118 165 S HN 1.725 nan 8.310 nan 0.000 0.461 166 V N 1.307 121.232 119.914 0.018 0.000 3.427 166 V HA 0.717 4.837 4.120 0.001 0.000 0.305 166 V C 1.213 177.318 176.094 0.019 0.000 1.412 166 V CA 0.815 63.121 62.300 0.010 0.000 1.086 166 V CB -0.816 31.037 31.823 0.048 0.000 0.964 166 V HN 1.818 nan 8.190 nan 0.000 0.439 167 G N 1.046 109.858 108.800 0.020 0.000 2.525 167 G HA2 -0.195 3.765 3.960 0.001 0.000 0.248 167 G HA3 -0.195 3.765 3.960 0.001 0.000 0.248 167 G C -0.653 174.260 174.900 0.023 0.000 1.238 167 G CA 0.323 45.436 45.100 0.022 0.000 0.926 167 G HN 0.544 nan 8.290 nan 0.000 0.574 168 D N 1.440 121.856 120.400 0.027 0.000 2.442 168 D HA 0.488 5.128 4.640 0.001 0.000 0.254 168 D C -1.033 175.293 176.300 0.042 0.000 1.069 168 D CA -0.620 53.394 54.000 0.023 0.000 1.017 168 D CB 1.736 42.545 40.800 0.015 0.000 1.172 168 D HN 0.171 nan 8.370 nan 0.000 0.561 169 P HA -0.165 nan 4.420 nan 0.000 0.216 169 P C 0.680 178.013 177.300 0.055 0.000 1.150 169 P CA 1.484 64.613 63.100 0.048 0.000 0.843 169 P CB 0.559 32.282 31.700 0.037 0.000 0.787 170 E N 0.289 120.519 120.200 0.051 0.000 2.028 170 E HA -0.151 4.199 4.350 0.001 0.000 0.191 170 E C 1.937 178.587 176.600 0.084 0.000 0.988 170 E CA 1.339 57.775 56.400 0.059 0.000 0.799 170 E CB -0.888 28.841 29.700 0.049 0.000 0.755 170 E HN 0.280 nan 8.360 nan 0.000 0.447 171 D N 0.238 120.688 120.400 0.084 0.000 2.123 171 D HA -0.179 4.462 4.640 0.001 0.000 0.196 171 D C 1.935 178.317 176.300 0.138 0.000 0.992 171 D CA 0.941 55.011 54.000 0.117 0.000 0.833 171 D CB -0.266 40.586 40.800 0.088 0.000 0.954 171 D HN 0.071 nan 8.370 nan 0.000 0.455 172 R N 0.764 121.328 120.500 0.106 0.000 2.083 172 R HA -0.137 4.203 4.340 0.001 0.000 0.237 172 R C 2.191 178.564 176.300 0.123 0.000 1.137 172 R CA 1.588 57.758 56.100 0.116 0.000 0.951 172 R CB -0.166 30.188 30.300 0.090 0.000 0.851 172 R HN 0.131 nan 8.270 nan 0.000 0.434 173 A N 1.008 123.888 122.820 0.100 0.000 1.877 173 A HA -0.169 4.151 4.320 0.001 0.000 0.216 173 A C 2.179 179.828 177.584 0.108 0.000 1.186 173 A CA 1.506 53.595 52.037 0.086 0.000 0.620 173 A CB -0.463 18.579 19.000 0.070 0.000 0.822 173 A HN 0.364 nan 8.150 nan 0.000 0.443 174 R N -2.247 118.343 120.500 0.150 0.000 2.081 174 R HA -0.158 4.182 4.340 0.001 0.000 0.235 174 R C 2.170 178.619 176.300 0.248 0.000 1.131 174 R CA 1.679 57.905 56.100 0.211 0.000 0.960 174 R CB -0.527 29.928 30.300 0.258 0.000 0.856 174 R HN 0.659 nan 8.270 nan 0.000 0.436 175 Y N 2.167 122.467 120.300 0.000 0.000 2.181 175 Y HA -0.173 4.377 4.550 0.001 0.000 0.288 175 Y C 1.879 177.732 175.900 -0.079 0.000 1.146 175 Y CA 1.144 59.071 58.100 -0.290 0.000 1.164 175 Y CB -0.341 37.889 38.460 -0.384 0.000 0.982 175 Y HN 0.021 nan 8.280 nan 0.000 0.515 176 N N 0.379 119.051 118.700 -0.045 0.000 2.043 176 N HA -0.200 4.541 4.740 0.001 0.000 0.193 176 N C 2.056 177.513 175.510 -0.087 0.000 1.037 176 N CA 1.653 54.636 53.050 -0.111 0.000 0.851 176 N CB -0.809 37.663 38.487 -0.025 0.000 1.027 176 N HN 0.468 nan 8.380 nan 0.000 0.422 177 A N 0.650 123.474 122.820 0.005 0.000 1.892 177 A HA -0.230 4.090 4.320 0.001 0.000 0.218 177 A C 2.194 179.798 177.584 0.034 0.000 1.188 177 A CA 1.598 53.653 52.037 0.030 0.000 0.631 177 A CB -1.203 17.845 19.000 0.081 0.000 0.822 177 A HN 0.499 nan 8.150 nan 0.000 0.447 178 Y N 0.579 120.848 120.300 -0.052 0.000 2.097 178 Y HA -0.225 4.326 4.550 0.001 0.000 0.282 178 Y C 1.935 177.755 175.900 -0.134 0.000 1.152 178 Y CA 2.045 60.125 58.100 -0.032 0.000 1.136 178 Y CB -0.509 37.963 38.460 0.019 0.000 0.975 178 Y HN 0.211 nan 8.280 nan 0.000 0.498 179 L N 0.075 121.042 121.223 -0.428 0.000 2.042 179 L HA -0.259 4.081 4.340 0.001 0.000 0.210 179 L C 2.721 179.394 176.870 -0.328 0.000 1.076 179 L CA 1.733 56.264 54.840 -0.514 0.000 0.749 179 L CB -0.564 41.219 42.059 -0.461 0.000 0.893 179 L HN 0.211 nan 8.230 nan 0.000 0.432 180 R N 0.055 120.428 120.500 -0.212 0.000 2.073 180 R HA -0.175 4.165 4.340 0.001 0.000 0.234 180 R C 2.201 178.427 176.300 -0.123 0.000 1.134 180 R CA 1.661 57.682 56.100 -0.133 0.000 0.952 180 R CB -0.366 29.886 30.300 -0.081 0.000 0.850 180 R HN 0.464 nan 8.270 nan 0.000 0.433 181 E N 0.134 120.259 120.200 -0.124 0.000 2.118 181 E HA -0.158 4.193 4.350 0.001 0.000 0.195 181 E C 2.003 178.535 176.600 -0.113 0.000 0.992 181 E CA 1.417 57.763 56.400 -0.091 0.000 0.804 181 E CB 0.017 29.690 29.700 -0.044 0.000 0.741 181 E HN 0.126 nan 8.360 nan 0.000 0.458 182 V N 0.933 120.712 119.914 -0.226 0.000 2.407 182 V HA -0.164 3.957 4.120 0.001 0.000 0.245 182 V C 2.122 178.193 176.094 -0.038 0.000 1.041 182 V CA 1.231 63.422 62.300 -0.183 0.000 1.040 182 V CB -0.265 31.305 31.823 -0.422 0.000 0.671 182 V HN 0.213 nan 8.190 nan 0.000 0.455 183 L N 0.568 121.734 121.223 -0.096 0.000 2.162 183 L HA -0.043 4.298 4.340 0.001 0.000 0.205 183 L C 2.783 179.659 176.870 0.010 0.000 1.086 183 L CA 1.235 56.062 54.840 -0.022 0.000 0.778 183 L CB -0.706 41.302 42.059 -0.084 0.000 0.928 183 L HN 0.493 nan 8.230 nan 0.000 0.446 184 S N 0.707 116.384 115.700 -0.039 0.000 2.372 184 S HA -0.121 4.350 4.470 0.001 0.000 0.227 184 S C -0.225 174.335 174.600 -0.066 0.000 1.044 184 S CA 1.365 59.538 58.200 -0.046 0.000 1.050 184 S CB -2.098 61.070 63.200 -0.053 0.000 0.901 184 S HN 0.311 nan 8.310 nan 0.000 0.447 185 P HA -0.041 nan 4.420 nan 0.000 0.226 185 P C 0.051 177.125 177.300 -0.375 0.000 1.153 185 P CA 1.248 64.198 63.100 -0.249 0.000 0.777 185 P CB -0.373 31.134 31.700 -0.321 0.000 0.794 186 H N -1.734 117.311 119.070 -0.043 0.000 2.592 186 H HA 0.293 4.850 4.556 0.001 0.000 0.279 186 H C 2.027 177.333 175.328 -0.037 0.000 1.089 186 H CA -0.348 55.678 56.048 -0.037 0.000 1.150 186 H CB -0.025 29.713 29.762 -0.040 0.000 1.575 186 H HN -0.087 nan 8.280 nan 0.000 0.547 187 R N 1.476 121.992 120.500 0.028 0.000 2.153 187 R HA -0.212 4.128 4.340 0.001 0.000 0.252 187 R C 1.023 177.329 176.300 0.009 0.000 1.158 187 R CA 1.848 57.952 56.100 0.007 0.000 0.975 187 R CB 0.053 30.343 30.300 -0.017 0.000 0.871 187 R HN 0.508 nan 8.270 nan 0.000 0.450 188 E N -0.821 119.384 120.200 0.009 0.000 2.333 188 E HA -0.144 4.206 4.350 0.001 0.000 0.198 188 E C 1.221 177.831 176.600 0.015 0.000 1.007 188 E CA 0.826 57.231 56.400 0.007 0.000 0.845 188 E CB 0.073 29.775 29.700 0.002 0.000 0.766 188 E HN 0.447 nan 8.360 nan 0.000 0.507 189 A N 0.650 123.488 122.820 0.029 0.000 2.345 189 A HA 0.186 4.507 4.320 0.001 0.000 0.225 189 A C 0.655 178.245 177.584 0.009 0.000 1.243 189 A CA -0.156 51.894 52.037 0.023 0.000 0.875 189 A CB 0.071 19.091 19.000 0.034 0.000 0.929 189 A HN 0.024 nan 8.150 nan 0.000 0.502 190 L N 0.153 121.379 121.223 0.006 0.000 2.399 190 L HA 0.345 4.685 4.340 0.001 0.000 0.265 190 L C 0.351 177.219 176.870 -0.004 0.000 1.089 190 L CA -0.637 54.201 54.840 -0.003 0.000 0.802 190 L CB 1.468 43.522 42.059 -0.008 0.000 1.180 190 L HN 0.040 nan 8.230 nan 0.000 0.454 191 S N 0.377 116.073 115.700 -0.007 0.000 2.576 191 S HA 0.027 4.497 4.470 0.001 0.000 0.276 191 S C 0.801 175.396 174.600 -0.007 0.000 1.339 191 S CA -0.572 57.624 58.200 -0.006 0.000 1.039 191 S CB 1.361 64.557 63.200 -0.006 0.000 0.902 191 S HN 0.555 nan 8.310 nan 0.000 0.516 192 E N 1.922 122.119 120.200 -0.006 0.000 2.136 192 E HA -0.228 4.123 4.350 0.001 0.000 0.202 192 E C 1.540 178.135 176.600 -0.008 0.000 1.019 192 E CA 1.759 58.155 56.400 -0.006 0.000 0.819 192 E CB -0.224 29.473 29.700 -0.005 0.000 0.739 192 E HN 0.762 nan 8.360 nan 0.000 0.458 193 D N -0.722 119.674 120.400 -0.008 0.000 2.092 193 D HA -0.122 4.518 4.640 0.001 0.000 0.193 193 D C 1.737 178.030 176.300 -0.013 0.000 0.994 193 D CA 1.910 55.904 54.000 -0.010 0.000 0.828 193 D CB -0.190 40.605 40.800 -0.009 0.000 0.963 193 D HN 0.075 nan 8.370 nan 0.000 0.450 194 S N -0.193 115.499 115.700 -0.013 0.000 2.382 194 S HA -0.143 4.327 4.470 0.001 0.000 0.228 194 S C 1.838 176.426 174.600 -0.020 0.000 1.027 194 S CA 0.940 59.130 58.200 -0.018 0.000 0.991 194 S CB -0.287 62.902 63.200 -0.018 0.000 0.823 194 S HN 0.331 nan 8.310 nan 0.000 0.469 195 K N 1.091 121.481 120.400 -0.016 0.000 2.152 195 K HA -0.144 4.177 4.320 0.001 0.000 0.206 195 K C 2.134 178.724 176.600 -0.018 0.000 1.048 195 K CA 1.391 57.668 56.287 -0.017 0.000 0.933 195 K CB -0.131 32.361 32.500 -0.013 0.000 0.721 195 K HN 0.512 nan 8.250 nan 0.000 0.447 196 E N 0.330 120.520 120.200 -0.016 0.000 2.051 196 E HA -0.102 4.248 4.350 0.001 0.000 0.189 196 E C 2.034 178.623 176.600 -0.017 0.000 0.979 196 E CA 0.635 57.026 56.400 -0.015 0.000 0.803 196 E CB 0.001 29.693 29.700 -0.012 0.000 0.761 196 E HN 0.215 nan 8.360 nan 0.000 0.451 197 R N 0.591 121.080 120.500 -0.019 0.000 2.159 197 R HA -0.139 4.202 4.340 0.001 0.000 0.237 197 R C 2.304 178.586 176.300 -0.030 0.000 1.131 197 R CA 0.610 56.697 56.100 -0.022 0.000 0.982 197 R CB -0.304 29.983 30.300 -0.022 0.000 0.868 197 R HN 0.096 nan 8.270 nan 0.000 0.453 198 L N 1.314 122.517 121.223 -0.033 0.000 2.191 198 L HA -0.150 4.191 4.340 0.001 0.000 0.212 198 L C 1.893 178.740 176.870 -0.038 0.000 1.103 198 L CA 1.756 56.570 54.840 -0.044 0.000 0.769 198 L CB -0.195 41.840 42.059 -0.042 0.000 0.908 198 L HN 0.076 nan 8.230 nan 0.000 0.438 199 E N -0.010 120.173 120.200 -0.027 0.000 2.033 199 E HA -0.000 4.350 4.350 0.001 0.000 0.189 199 E C 0.340 176.929 176.600 -0.018 0.000 0.979 199 E CA 0.790 57.177 56.400 -0.022 0.000 0.802 199 E CB 0.067 29.757 29.700 -0.016 0.000 0.763 199 E HN 0.557 nan 8.360 nan 0.000 0.449 200 E N 1.151 121.341 120.200 -0.016 0.000 2.218 200 E HA 0.186 4.536 4.350 0.001 0.000 0.263 200 E C -0.999 175.594 176.600 -0.011 0.000 0.879 200 E CA -0.507 55.886 56.400 -0.010 0.000 0.762 200 E CB 1.155 30.852 29.700 -0.005 0.000 1.166 200 E HN 0.009 nan 8.360 nan 0.000 0.415 201 N N 3.318 122.012 118.700 -0.010 0.000 2.699 201 N HA -0.121 4.619 4.740 0.001 0.000 0.257 201 N C -2.333 173.164 175.510 -0.022 0.000 1.077 201 N CA -0.021 53.026 53.050 -0.006 0.000 0.702 201 N CB -0.456 38.034 38.487 0.005 0.000 0.886 201 N HN 0.341 nan 8.380 nan 0.000 0.549 202 P HA -0.179 nan 4.420 nan 0.000 0.218 202 P C 1.724 178.979 177.300 -0.075 0.000 1.146 202 P CA 1.252 64.307 63.100 -0.075 0.000 0.813 202 P CB 0.044 31.672 31.700 -0.120 0.000 0.778 203 M N -1.395 118.172 119.600 -0.055 0.000 2.192 203 M HA -0.274 4.206 4.480 0.001 0.000 0.256 203 M C 2.068 178.374 176.300 0.011 0.000 1.076 203 M CA 1.894 57.194 55.300 0.000 0.000 1.075 203 M CB -0.586 32.061 32.600 0.079 0.000 1.368 203 M HN -0.056 nan 8.290 nan 0.000 0.406 204 R N 0.047 120.546 120.500 -0.002 0.000 2.127 204 R HA -0.140 4.200 4.340 0.001 0.000 0.238 204 R C 2.128 178.423 176.300 -0.008 0.000 1.134 204 R CA 1.353 57.451 56.100 -0.002 0.000 0.975 204 R CB -0.726 29.569 30.300 -0.008 0.000 0.865 204 R HN 0.459 nan 8.270 nan 0.000 0.447 205 I N 1.207 121.765 120.570 -0.020 0.000 2.657 205 I HA -0.255 3.915 4.170 0.001 0.000 0.261 205 I C 1.670 177.780 176.117 -0.012 0.000 1.212 205 I CA 1.047 62.333 61.300 -0.023 0.000 1.453 205 I CB 0.131 38.105 38.000 -0.042 0.000 1.092 205 I HN 0.188 nan 8.210 nan 0.000 0.452 206 L N -0.140 121.084 121.223 0.002 0.000 2.068 206 L HA -0.131 4.209 4.340 0.001 0.000 0.204 206 L C 1.202 178.083 176.870 0.018 0.000 1.076 206 L CA 1.077 55.930 54.840 0.022 0.000 0.753 206 L CB -0.461 41.634 42.059 0.061 0.000 0.910 206 L HN 0.090 nan 8.230 nan 0.000 0.439 207 D N -0.117 120.292 120.400 0.014 0.000 2.370 207 D HA 0.036 4.676 4.640 0.001 0.000 0.230 207 D C 0.660 176.962 176.300 0.003 0.000 1.143 207 D CA -0.000 54.005 54.000 0.009 0.000 0.834 207 D CB 0.120 40.925 40.800 0.007 0.000 0.944 207 D HN 0.199 nan 8.370 nan 0.000 0.504 208 S N -1.081 114.619 115.700 0.000 0.000 2.707 208 S HA 0.444 4.914 4.470 0.001 0.000 0.276 208 S C 0.625 175.224 174.600 -0.002 0.000 1.179 208 S CA -0.783 57.415 58.200 -0.004 0.000 0.992 208 S CB 2.133 65.329 63.200 -0.007 0.000 1.030 208 S HN -0.212 nan 8.310 nan 0.000 0.554 209 K N 0.202 120.600 120.400 -0.003 0.000 2.720 209 K HA 0.586 4.906 4.320 0.001 0.000 0.281 209 K C 0.261 176.861 176.600 -0.001 0.000 1.019 209 K CA -0.403 55.883 56.287 -0.001 0.000 1.088 209 K CB 0.273 32.773 32.500 -0.001 0.000 1.449 209 K HN 0.925 nan 8.250 nan 0.000 0.542 210 S N -0.178 115.522 115.700 0.000 0.000 3.349 210 S HA -0.136 4.334 4.470 0.001 0.000 0.854 210 S C 0.709 175.309 174.600 -0.001 0.000 1.140 210 S CA 0.677 58.877 58.200 -0.000 0.000 1.044 210 S CB -0.219 62.980 63.200 -0.002 0.000 0.716 210 S HN 0.645 nan 8.310 nan 0.000 0.271 211 E N 2.282 122.481 120.200 -0.001 0.000 2.208 211 E HA 0.039 4.389 4.350 0.001 0.000 0.193 211 E C 2.056 178.653 176.600 -0.004 0.000 0.988 211 E CA 1.420 57.819 56.400 -0.002 0.000 0.828 211 E CB -0.101 29.598 29.700 -0.001 0.000 0.763 211 E HN 0.534 nan 8.360 nan 0.000 0.478 212 R N 0.545 121.043 120.500 -0.004 0.000 2.113 212 R HA -0.199 4.142 4.340 0.001 0.000 0.244 212 R C 1.181 177.475 176.300 -0.010 0.000 1.142 212 R CA 2.099 58.196 56.100 -0.006 0.000 0.953 212 R CB -0.181 30.117 30.300 -0.004 0.000 0.860 212 R HN 0.218 nan 8.270 nan 0.000 0.438 213 D N -0.154 120.240 120.400 -0.010 0.000 2.091 213 D HA -0.141 4.499 4.640 0.001 0.000 0.199 213 D C 2.155 178.446 176.300 -0.015 0.000 0.980 213 D CA 0.840 54.831 54.000 -0.014 0.000 0.831 213 D CB -0.347 40.446 40.800 -0.012 0.000 0.987 213 D HN 0.236 nan 8.370 nan 0.000 0.460 214 Q N 1.016 120.810 119.800 -0.009 0.000 2.045 214 Q HA -0.130 4.210 4.340 0.001 0.000 0.206 214 Q C 2.309 178.303 176.000 -0.011 0.000 0.991 214 Q CA 1.477 57.276 55.803 -0.007 0.000 0.851 214 Q CB -0.780 27.957 28.738 -0.002 0.000 0.911 214 Q HN 0.271 nan 8.270 nan 0.000 0.418 215 A N 0.884 123.696 122.820 -0.012 0.000 1.908 215 A HA -0.184 4.136 4.320 0.001 0.000 0.218 215 A C 2.175 179.743 177.584 -0.028 0.000 1.181 215 A CA 1.571 53.599 52.037 -0.016 0.000 0.627 215 A CB -0.736 18.256 19.000 -0.013 0.000 0.818 215 A HN 0.329 nan 8.150 nan 0.000 0.445 216 L N -0.101 121.100 121.223 -0.036 0.000 1.994 216 L HA -0.130 4.210 4.340 0.001 0.000 0.208 216 L C 2.340 179.168 176.870 -0.070 0.000 1.071 216 L CA 1.799 56.602 54.840 -0.062 0.000 0.745 216 L CB -0.616 41.407 42.059 -0.060 0.000 0.892 216 L HN 0.422 nan 8.230 nan 0.000 0.431 217 L N -0.685 120.511 121.223 -0.045 0.000 2.043 217 L HA -0.291 4.050 4.340 0.001 0.000 0.212 217 L C 2.649 179.509 176.870 -0.016 0.000 1.075 217 L CA 1.682 56.504 54.840 -0.030 0.000 0.752 217 L CB -0.689 41.366 42.059 -0.008 0.000 0.891 217 L HN 0.298 nan 8.230 nan 0.000 0.432 218 K N 0.237 120.629 120.400 -0.014 0.000 1.985 218 K HA -0.231 4.089 4.320 0.001 0.000 0.210 218 K C 2.035 178.627 176.600 -0.014 0.000 1.047 218 K CA 1.997 58.281 56.287 -0.006 0.000 0.932 218 K CB -0.186 32.311 32.500 -0.005 0.000 0.716 218 K HN 0.477 nan 8.250 nan 0.000 0.439 219 E N 1.026 121.207 120.200 -0.033 0.000 2.204 219 E HA -0.177 4.173 4.350 0.001 0.000 0.195 219 E C 1.790 178.354 176.600 -0.059 0.000 0.990 219 E CA 0.937 57.312 56.400 -0.042 0.000 0.821 219 E CB -0.250 29.419 29.700 -0.050 0.000 0.750 219 E HN 0.243 nan 8.360 nan 0.000 0.477 220 L N 0.474 121.646 121.223 -0.085 0.000 2.478 220 L HA 0.112 4.453 4.340 0.001 0.000 0.223 220 L C 1.250 178.109 176.870 -0.017 0.000 1.140 220 L CA 0.490 55.269 54.840 -0.102 0.000 0.842 220 L CB -0.389 41.570 42.059 -0.166 0.000 0.953 220 L HN 0.509 nan 8.230 nan 0.000 0.452 221 G N 0.956 109.763 108.800 0.011 0.000 2.295 221 G HA2 -0.247 3.713 3.960 0.001 0.000 0.287 221 G HA3 -0.247 3.713 3.960 0.001 0.000 0.287 221 G C 0.142 175.113 174.900 0.119 0.000 1.055 221 G CA 0.093 45.227 45.100 0.057 0.000 0.922 221 G HN 0.110 nan 8.290 nan 0.000 0.503 222 V N 0.710 120.692 119.914 0.114 0.000 2.458 222 V HA 0.112 4.232 4.120 0.001 0.000 0.287 222 V C 1.435 177.694 176.094 0.276 0.000 1.009 222 V CA 0.373 62.801 62.300 0.214 0.000 1.091 222 V CB 0.635 32.534 31.823 0.127 0.000 0.960 222 V HN 0.657 nan 8.190 nan 0.000 0.476 223 R N 6.529 127.272 120.500 0.405 0.000 2.543 223 R HA 0.242 4.582 4.340 0.001 0.000 0.277 223 R C -2.387 174.089 176.300 0.292 0.000 1.074 223 R CA -1.355 54.924 56.100 0.298 0.000 1.076 223 R CB 0.628 31.097 30.300 0.281 0.000 0.993 223 R HN 0.434 nan 8.270 nan 0.000 0.459 224 P HA -0.077 nan 4.420 nan 0.000 0.268 224 P C 0.157 177.333 177.300 -0.207 0.000 1.208 224 P CA -0.073 63.046 63.100 0.032 0.000 0.777 224 P CB 0.493 32.203 31.700 0.017 0.000 0.875 225 M N 3.175 122.466 119.600 -0.515 0.000 2.202 225 M HA -0.117 4.364 4.480 0.001 0.000 0.262 225 M C 1.386 177.479 176.300 -0.345 0.000 1.063 225 M CA 1.729 56.443 55.300 -0.977 0.000 1.097 225 M CB -1.220 30.983 32.600 -0.662 0.000 1.382 225 M HN 0.274 nan 8.290 nan 0.000 0.413 226 L N -0.162 120.968 121.223 -0.154 0.000 2.043 226 L HA -0.287 4.054 4.340 0.001 0.000 0.212 226 L C 1.711 178.575 176.870 -0.009 0.000 1.075 226 L CA 1.581 56.388 54.840 -0.054 0.000 0.752 226 L CB -1.008 41.033 42.059 -0.029 0.000 0.891 226 L HN 0.319 nan 8.230 nan 0.000 0.432 227 D N -0.594 119.825 120.400 0.032 0.000 2.351 227 D HA -0.141 4.500 4.640 0.001 0.000 0.216 227 D C 1.314 177.546 176.300 -0.114 0.000 0.968 227 D CA 1.142 55.126 54.000 -0.026 0.000 0.899 227 D CB 0.032 40.800 40.800 -0.054 0.000 0.907 227 D HN 0.303 nan 8.370 nan 0.000 0.514 228 F N 0.308 120.140 119.950 -0.196 0.000 2.641 228 F HA 0.231 4.758 4.527 0.001 0.000 0.302 228 F C 0.909 176.651 175.800 -0.097 0.000 1.098 228 F CA -0.398 57.515 58.000 -0.144 0.000 1.318 228 F CB -0.129 38.778 39.000 -0.155 0.000 1.035 228 F HN -0.249 nan 8.300 nan 0.000 0.551 229 L N 0.231 121.483 121.223 0.049 0.000 2.416 229 L HA 0.329 4.670 4.340 0.001 0.000 0.272 229 L C 1.260 178.138 176.870 0.013 0.000 1.161 229 L CA -0.287 54.568 54.840 0.026 0.000 0.845 229 L CB 0.080 42.145 42.059 0.009 0.000 1.119 229 L HN 0.202 nan 8.230 nan 0.000 0.464 230 G N 1.032 109.844 108.800 0.022 0.000 2.553 230 G HA2 0.069 4.029 3.960 0.001 0.000 0.278 230 G HA3 0.069 4.029 3.960 0.001 0.000 0.278 230 G C 0.639 175.543 174.900 0.007 0.000 1.349 230 G CA -0.192 44.915 45.100 0.013 0.000 1.037 230 G HN 0.739 nan 8.290 nan 0.000 0.508 231 E N -0.432 119.771 120.200 0.006 0.000 2.028 231 E HA -0.110 4.241 4.350 0.001 0.000 0.191 231 E C 2.306 178.916 176.600 0.017 0.000 0.988 231 E CA 1.945 58.349 56.400 0.006 0.000 0.799 231 E CB -0.226 29.476 29.700 0.004 0.000 0.755 231 E HN 0.645 nan 8.360 nan 0.000 0.447 232 E N 0.070 120.283 120.200 0.021 0.000 2.077 232 E HA -0.188 4.162 4.350 0.001 0.000 0.193 232 E C 2.072 178.702 176.600 0.051 0.000 0.989 232 E CA 0.979 57.400 56.400 0.034 0.000 0.800 232 E CB -0.256 29.460 29.700 0.026 0.000 0.746 232 E HN 0.375 nan 8.360 nan 0.000 0.452 233 A N 1.616 124.456 122.820 0.033 0.000 1.877 233 A HA -0.214 4.106 4.320 0.001 0.000 0.216 233 A C 2.156 179.777 177.584 0.063 0.000 1.186 233 A CA 1.736 53.794 52.037 0.035 0.000 0.620 233 A CB -0.423 18.588 19.000 0.018 0.000 0.822 233 A HN 0.029 nan 8.150 nan 0.000 0.443 234 R N -0.004 120.520 120.500 0.040 0.000 2.081 234 R HA -0.045 4.295 4.340 0.001 0.000 0.235 234 R C 2.185 178.506 176.300 0.036 0.000 1.131 234 R CA 1.814 57.932 56.100 0.030 0.000 0.960 234 R CB -0.715 29.591 30.300 0.010 0.000 0.856 234 R HN 0.423 nan 8.270 nan 0.000 0.436 235 A N 0.019 122.865 122.820 0.042 0.000 1.858 235 A HA -0.233 4.088 4.320 0.001 0.000 0.216 235 A C 2.216 179.825 177.584 0.043 0.000 1.190 235 A CA 1.785 53.841 52.037 0.032 0.000 0.617 235 A CB -1.107 17.914 19.000 0.036 0.000 0.827 235 A HN 0.590 nan 8.150 nan 0.000 0.443 236 H N -0.580 118.483 119.070 -0.011 0.000 2.319 236 H HA -0.158 4.399 4.556 0.001 0.000 0.299 236 H C 2.069 177.385 175.328 -0.019 0.000 1.092 236 H CA 2.097 58.140 56.048 -0.007 0.000 1.302 236 H CB -0.261 29.506 29.762 0.007 0.000 1.373 236 H HN 0.350 nan 8.280 nan 0.000 0.497 237 L N 1.490 122.795 121.223 0.136 0.000 2.079 237 L HA -0.132 4.208 4.340 0.001 0.000 0.210 237 L C 2.401 179.251 176.870 -0.034 0.000 1.081 237 L CA 1.768 56.643 54.840 0.059 0.000 0.752 237 L CB -0.543 41.551 42.059 0.059 0.000 0.896 237 L HN 0.003 nan 8.230 nan 0.000 0.433 238 K N -0.265 120.111 120.400 -0.041 0.000 2.097 238 K HA -0.121 4.200 4.320 0.001 0.000 0.205 238 K C 2.036 178.542 176.600 -0.156 0.000 1.050 238 K CA 1.147 57.391 56.287 -0.072 0.000 0.938 238 K CB -0.155 32.313 32.500 -0.052 0.000 0.718 238 K HN 0.325 nan 8.250 nan 0.000 0.442 239 E N -0.014 120.064 120.200 -0.202 0.000 2.077 239 E HA -0.144 4.206 4.350 0.001 0.000 0.193 239 E C 2.028 178.355 176.600 -0.455 0.000 0.989 239 E CA 1.271 57.458 56.400 -0.355 0.000 0.800 239 E CB -0.333 29.183 29.700 -0.307 0.000 0.746 239 E HN 0.107 nan 8.360 nan 0.000 0.452 240 V N 1.716 121.477 119.914 -0.255 0.000 2.261 240 V HA -0.254 3.866 4.120 0.001 0.000 0.246 240 V C 2.242 178.208 176.094 -0.213 0.000 1.047 240 V CA 1.970 64.173 62.300 -0.163 0.000 1.015 240 V CB -0.594 31.156 31.823 -0.122 0.000 0.642 240 V HN 0.250 nan 8.190 nan 0.000 0.446 241 E N -0.089 119.982 120.200 -0.215 0.000 2.097 241 E HA -0.290 4.060 4.350 0.001 0.000 0.196 241 E C 2.436 178.972 176.600 -0.106 0.000 1.000 241 E CA 1.494 57.786 56.400 -0.180 0.000 0.804 241 E CB -0.258 29.424 29.700 -0.030 0.000 0.740 241 E HN 0.444 nan 8.360 nan 0.000 0.454 242 R N 0.177 120.570 120.500 -0.179 0.000 2.083 242 R HA -0.187 4.153 4.340 0.001 0.000 0.237 242 R C 2.350 178.575 176.300 -0.124 0.000 1.137 242 R CA 1.641 57.633 56.100 -0.180 0.000 0.951 242 R CB -0.148 29.971 30.300 -0.303 0.000 0.851 242 R HN 0.309 nan 8.270 nan 0.000 0.434 243 H N 0.507 119.530 119.070 -0.077 0.000 2.321 243 H HA -0.117 4.439 4.556 0.000 0.000 0.300 243 H C 2.230 177.505 175.328 -0.088 0.000 1.087 243 H CA 1.547 57.547 56.048 -0.081 0.000 1.319 243 H CB -0.457 29.245 29.762 -0.099 0.000 1.379 243 H HN 0.230 nan 8.280 nan 0.000 0.501 244 L N 0.695 121.912 121.223 -0.009 0.000 2.042 244 L HA -0.168 4.173 4.340 0.001 0.000 0.210 244 L C 2.699 179.579 176.870 0.015 0.000 1.076 244 L CA 1.602 56.396 54.840 -0.076 0.000 0.749 244 L CB -0.425 41.470 42.059 -0.274 0.000 0.893 244 L HN 0.325 nan 8.230 nan 0.000 0.432 245 E N 1.083 121.326 120.200 0.073 0.000 2.058 245 E HA -0.311 4.040 4.350 0.001 0.000 0.194 245 E C 2.273 178.891 176.600 0.029 0.000 0.997 245 E CA 1.658 58.106 56.400 0.081 0.000 0.801 245 E CB -0.042 29.704 29.700 0.075 0.000 0.746 245 E HN 0.241 nan 8.360 nan 0.000 0.450 246 R N 0.954 121.469 120.500 0.026 0.000 2.091 246 R HA -0.057 4.283 4.340 0.001 0.000 0.238 246 R C 2.357 178.663 176.300 0.011 0.000 1.136 246 R CA 1.466 57.579 56.100 0.022 0.000 0.959 246 R CB -0.826 29.500 30.300 0.043 0.000 0.856 246 R HN 0.321 nan 8.270 nan 0.000 0.437 247 L N 0.459 121.685 121.223 0.005 0.000 2.610 247 L HA 0.129 4.469 4.340 0.001 0.000 0.232 247 L C 0.185 177.044 176.870 -0.019 0.000 1.149 247 L CA 0.529 55.361 54.840 -0.012 0.000 0.872 247 L CB -0.085 41.957 42.059 -0.028 0.000 0.992 247 L HN 0.198 nan 8.230 nan 0.000 0.447 248 S N -0.741 114.950 115.700 -0.015 0.000 3.635 248 S HA -0.120 4.350 4.470 0.001 0.000 0.328 248 S C 0.276 174.838 174.600 -0.063 0.000 1.135 248 S CA 0.174 58.361 58.200 -0.022 0.000 0.942 248 S CB -1.679 61.515 63.200 -0.009 0.000 0.930 248 S HN 0.168 nan 8.310 nan 0.000 0.512 249 V N 3.310 123.162 119.914 -0.103 0.000 2.372 249 V HA 0.256 4.377 4.120 0.001 0.000 0.261 249 V C -1.327 174.675 176.094 -0.154 0.000 1.055 249 V CA -1.515 60.615 62.300 -0.283 0.000 0.930 249 V CB 0.386 31.995 31.823 -0.357 0.000 1.031 249 V HN 0.208 nan 8.190 nan 0.000 0.479 250 P HA 0.184 nan 4.420 nan 0.000 0.270 250 P C -1.178 176.089 177.300 -0.055 0.000 1.242 250 P CA 0.254 63.284 63.100 -0.116 0.000 0.768 250 P CB 0.186 31.837 31.700 -0.081 0.000 0.820 251 Y N 0.049 120.267 120.300 -0.137 0.000 2.638 251 Y HA 0.813 5.364 4.550 0.000 0.000 0.339 251 Y C -0.902 174.956 175.900 -0.069 0.000 1.084 251 Y CA -1.827 56.210 58.100 -0.105 0.000 1.068 251 Y CB 1.340 39.731 38.460 -0.116 0.000 1.294 251 Y HN 0.179 nan 8.280 nan 0.000 0.480 252 E N 1.249 121.480 120.200 0.051 0.000 2.224 252 E HA 0.424 4.774 4.350 0.001 0.000 0.265 252 E C -2.071 174.597 176.600 0.113 0.000 0.878 252 E CA -0.751 55.627 56.400 -0.037 0.000 0.759 252 E CB 1.657 31.335 29.700 -0.037 0.000 1.164 252 E HN 0.746 nan 8.360 nan 0.000 0.414 253 L N 4.355 125.629 121.223 0.085 0.000 2.385 253 L HA 0.261 4.601 4.340 0.001 0.000 0.281 253 L C -0.418 176.484 176.870 0.053 0.000 1.106 253 L CA 0.217 55.136 54.840 0.132 0.000 0.856 253 L CB 0.344 42.478 42.059 0.126 0.000 1.186 253 L HN 0.466 nan 8.230 nan 0.000 0.453 254 E N 7.229 127.458 120.200 0.048 0.000 2.283 254 E HA 0.215 4.565 4.350 0.001 0.000 0.278 254 E C -1.647 174.958 176.600 0.009 0.000 1.027 254 E CA -1.859 54.550 56.400 0.015 0.000 0.843 254 E CB 1.026 30.727 29.700 0.003 0.000 1.062 254 E HN 0.451 nan 8.360 nan 0.000 0.401 255 P HA -0.124 nan 4.420 nan 0.000 0.215 255 P C -0.142 177.151 177.300 -0.012 0.000 1.157 255 P CA 1.094 64.194 63.100 -0.000 0.000 0.868 255 P CB 0.484 32.189 31.700 0.008 0.000 0.788 256 A N -0.024 122.793 122.820 -0.005 0.000 2.651 256 A HA 0.481 4.802 4.320 0.001 0.000 0.290 256 A C -0.768 176.813 177.584 -0.004 0.000 1.185 256 A CA -0.457 51.574 52.037 -0.011 0.000 0.746 256 A CB 0.107 19.121 19.000 0.024 0.000 1.213 256 A HN 0.111 nan 8.150 nan 0.000 0.429 257 L N 3.887 125.101 121.223 -0.016 0.000 2.475 257 L HA 0.292 4.633 4.340 0.001 0.000 0.253 257 L C -0.604 176.243 176.870 -0.039 0.000 1.137 257 L CA -0.445 54.382 54.840 -0.022 0.000 1.058 257 L CB 0.658 42.705 42.059 -0.021 0.000 1.382 257 L HN 0.470 nan 8.230 nan 0.000 0.416 258 V N 3.062 122.966 119.914 -0.016 0.000 2.572 258 V HA 0.151 4.271 4.120 0.001 0.000 0.291 258 V C 0.605 176.669 176.094 -0.050 0.000 1.039 258 V CA -0.192 62.101 62.300 -0.012 0.000 1.055 258 V CB 1.307 33.145 31.823 0.024 0.000 0.969 258 V HN 0.592 nan 8.190 nan 0.000 0.482 259 R N 3.242 123.687 120.500 -0.092 0.000 2.607 259 R HA 0.555 4.896 4.340 0.001 0.000 0.261 259 R C 1.251 177.530 176.300 -0.035 0.000 1.051 259 R CA 0.212 56.227 56.100 -0.143 0.000 1.110 259 R CB 1.024 31.052 30.300 -0.453 0.000 1.158 259 R HN 0.707 nan 8.270 nan 0.000 0.543 260 G N 0.704 109.495 108.800 -0.015 0.000 3.026 260 G HA2 0.177 4.137 3.960 0.001 0.000 0.208 260 G HA3 0.177 4.137 3.960 0.001 0.000 0.208 260 G C -0.622 174.267 174.900 -0.019 0.000 1.169 260 G CA 0.289 45.384 45.100 -0.008 0.000 0.788 260 G HN 0.225 nan 8.290 nan 0.000 0.533 261 L N -0.437 120.789 121.223 0.004 0.000 2.408 261 L HA 0.462 4.802 4.340 0.001 0.000 0.268 261 L C -0.140 176.618 176.870 -0.186 0.000 0.986 261 L CA -0.594 54.113 54.840 -0.222 0.000 0.820 261 L CB 2.306 43.960 42.059 -0.675 0.000 1.303 261 L HN -0.189 nan 8.230 nan 0.000 0.411 262 D N 0.293 120.570 120.400 -0.206 0.000 2.363 262 D HA -0.100 4.541 4.640 0.001 0.000 0.220 262 D C 1.489 177.773 176.300 -0.027 0.000 0.994 262 D CA 0.934 54.894 54.000 -0.066 0.000 0.890 262 D CB 0.116 40.907 40.800 -0.014 0.000 0.906 262 D HN 0.642 nan 8.370 nan 0.000 0.530 263 Y N -1.102 119.165 120.300 -0.055 0.000 2.583 263 Y HA 0.107 4.658 4.550 0.001 0.000 0.293 263 Y C 0.100 175.972 175.900 -0.047 0.000 1.157 263 Y CA -0.827 57.222 58.100 -0.084 0.000 1.315 263 Y CB -1.527 36.839 38.460 -0.157 0.000 1.021 263 Y HN -0.202 nan 8.280 nan 0.000 0.536 264 Y N 1.094 121.540 120.300 0.243 0.000 2.511 264 Y HA 0.350 4.900 4.550 0.001 0.000 0.332 264 Y C 0.098 176.086 175.900 0.147 0.000 1.177 264 Y CA -0.620 57.622 58.100 0.237 0.000 1.422 264 Y CB 0.883 39.403 38.460 0.100 0.000 1.271 264 Y HN -0.082 nan 8.280 nan 0.000 0.550 265 V N 5.502 125.600 119.914 0.307 0.000 2.668 265 V HA 0.571 4.691 4.120 0.001 0.000 0.304 265 V C -0.223 175.935 176.094 0.107 0.000 1.071 265 V CA -0.770 61.622 62.300 0.153 0.000 0.894 265 V CB 1.123 32.996 31.823 0.083 0.000 1.008 265 V HN 1.001 nan 8.190 nan 0.000 0.425 266 R N 2.611 123.150 120.500 0.066 0.000 4.066 266 R HA -0.165 4.175 4.340 0.001 0.000 0.288 266 R C 0.147 176.505 176.300 0.096 0.000 0.241 266 R CA 1.041 57.161 56.100 0.034 0.000 0.984 266 R CB -1.802 28.442 30.300 -0.092 0.000 1.043 266 R HN 0.752 nan 8.270 nan 0.000 0.539 267 T N 1.426 116.063 114.554 0.138 0.000 2.867 267 T HA 0.307 4.658 4.350 0.001 0.000 0.290 267 T C 0.027 174.855 174.700 0.214 0.000 1.025 267 T CA 0.841 63.066 62.100 0.207 0.000 1.146 267 T CB 0.483 69.522 68.868 0.284 0.000 1.024 267 T HN 0.604 nan 8.240 nan 0.000 0.519 268 A N 3.258 126.184 122.820 0.178 0.000 2.437 268 A HA 0.753 5.073 4.320 0.001 0.000 0.293 268 A C -0.829 176.842 177.584 0.145 0.000 1.038 268 A CA -1.073 50.967 52.037 0.004 0.000 0.708 268 A CB 1.039 19.960 19.000 -0.132 0.000 1.251 268 A HN 0.793 nan 8.150 nan 0.000 0.409 269 F N -0.457 119.477 119.950 -0.026 0.000 2.662 269 F HA 0.923 5.451 4.527 0.001 0.000 0.312 269 F C -0.609 175.225 175.800 0.056 0.000 1.113 269 F CA -0.861 57.148 58.000 0.015 0.000 0.951 269 F CB 1.343 40.356 39.000 0.022 0.000 1.344 269 F HN 0.526 nan 8.300 nan 0.000 0.462 270 E N 0.763 121.119 120.200 0.260 0.000 2.363 270 E HA 0.577 4.927 4.350 0.001 0.000 0.281 270 E C -1.934 174.882 176.600 0.359 0.000 0.953 270 E CA -1.075 55.474 56.400 0.248 0.000 0.778 270 E CB 3.263 33.147 29.700 0.306 0.000 1.220 270 E HN 0.528 nan 8.360 nan 0.000 0.431 271 V N 2.854 122.959 119.914 0.319 0.000 2.459 271 V HA 0.401 4.521 4.120 0.001 0.000 0.295 271 V C -0.378 175.898 176.094 0.302 0.000 1.029 271 V CA -0.553 61.922 62.300 0.292 0.000 0.874 271 V CB 1.246 33.174 31.823 0.175 0.000 0.985 271 V HN 0.626 nan 8.190 nan 0.000 0.438 272 H N 2.963 122.080 119.070 0.078 0.000 2.771 272 H HA 0.562 5.119 4.556 0.001 0.000 0.367 272 H C -1.247 174.142 175.328 0.102 0.000 1.172 272 H CA -0.778 55.316 56.048 0.076 0.000 1.186 272 H CB 2.743 32.534 29.762 0.048 0.000 1.790 272 H HN 0.597 nan 8.280 nan 0.000 0.556 273 H N 1.540 120.684 119.070 0.122 0.000 3.013 273 H HA 0.084 4.640 4.556 0.001 0.000 0.326 273 H C -0.885 174.480 175.328 0.061 0.000 0.973 273 H CA -0.516 55.570 56.048 0.063 0.000 1.369 273 H CB 1.042 30.814 29.762 0.017 0.000 1.598 273 H HN 0.744 nan 8.280 nan 0.000 0.518 274 E N 3.543 123.728 120.200 -0.026 0.000 2.705 274 E HA 0.087 4.437 4.350 0.001 0.000 0.272 274 E C -0.126 176.511 176.600 0.062 0.000 1.528 274 E CA 0.135 56.551 56.400 0.026 0.000 1.750 274 E CB 0.110 29.799 29.700 -0.019 0.000 1.439 274 E HN 0.565 nan 8.360 nan 0.000 0.449 275 E N 0.349 120.675 120.200 0.209 0.000 3.625 275 E HA 0.230 4.580 4.350 0.001 0.000 0.166 275 E C 0.084 176.786 176.600 0.169 0.000 0.978 275 E CA 0.119 56.643 56.400 0.206 0.000 1.429 275 E CB 0.415 30.288 29.700 0.288 0.000 1.100 275 E HN 0.264 nan 8.360 nan 0.000 0.428 276 I N -0.563 120.080 120.570 0.121 0.000 4.541 276 I HA 0.235 4.405 4.170 0.001 0.000 0.337 276 I C 1.032 177.176 176.117 0.044 0.000 1.338 276 I CA 0.057 61.394 61.300 0.060 0.000 1.244 276 I CB 1.077 39.095 38.000 0.031 0.000 1.417 276 I HN 0.304 nan 8.210 nan 0.000 0.501 277 G N 2.050 110.882 108.800 0.054 0.000 2.512 277 G HA2 -0.223 3.737 3.960 0.001 0.000 0.254 277 G HA3 -0.223 3.737 3.960 0.001 0.000 0.254 277 G C 0.212 175.132 174.900 0.035 0.000 1.199 277 G CA -0.204 44.920 45.100 0.040 0.000 0.941 277 G HN 0.562 nan 8.290 nan 0.000 0.569 278 A N -0.799 122.035 122.820 0.024 0.000 2.445 278 A HA 0.570 4.890 4.320 0.001 0.000 0.242 278 A C 0.943 178.527 177.584 -0.000 0.000 1.075 278 A CA 1.786 53.833 52.037 0.017 0.000 0.777 278 A CB 0.005 19.012 19.000 0.012 0.000 1.013 278 A HN 2.021 nan 8.150 nan 0.000 0.493 279 Q N 0.170 119.966 119.800 -0.007 0.000 2.440 279 Q HA -0.133 4.208 4.340 0.001 0.000 0.325 279 Q C 0.769 176.733 176.000 -0.059 0.000 1.454 279 Q CA 1.077 56.849 55.803 -0.052 0.000 0.828 279 Q CB -2.341 26.346 28.738 -0.086 0.000 1.104 279 Q HN 1.205 nan 8.270 nan 0.000 0.358 280 S N -1.841 113.843 115.700 -0.026 0.000 2.558 280 S HA 0.386 4.856 4.470 0.001 0.000 0.217 280 S C 1.037 175.508 174.600 -0.215 0.000 0.975 280 S CA -0.001 58.196 58.200 -0.005 0.000 0.912 280 S CB 0.545 63.839 63.200 0.157 0.000 0.776 280 S HN 0.745 nan 8.310 nan 0.000 0.526 281 A N 2.320 124.847 122.820 -0.488 0.000 2.535 281 A HA 0.412 4.733 4.320 0.001 0.000 0.290 281 A C 1.188 178.597 177.584 -0.291 0.000 1.270 281 A CA -0.211 51.385 52.037 -0.734 0.000 0.937 281 A CB -0.729 17.941 19.000 -0.551 0.000 1.096 281 A HN 0.573 nan 8.150 nan 0.000 0.534 282 L N 2.303 123.420 121.223 -0.176 0.000 2.046 282 L HA 0.035 4.375 4.340 0.001 0.000 0.208 282 L C 1.482 178.384 176.870 0.054 0.000 1.077 282 L CA 1.301 56.112 54.840 -0.049 0.000 0.747 282 L CB -0.352 41.682 42.059 -0.040 0.000 0.896 282 L HN 0.763 nan 8.230 nan 0.000 0.432 283 G N -1.889 106.948 108.800 0.062 0.000 2.623 283 G HA2 0.570 4.531 3.960 0.001 0.000 0.290 283 G HA3 0.570 4.531 3.960 0.001 0.000 0.290 283 G C -1.478 173.502 174.900 0.134 0.000 1.437 283 G CA 0.082 45.300 45.100 0.197 0.000 0.798 283 G HN 0.144 nan 8.290 nan 0.000 0.488 284 G N -1.962 106.931 108.800 0.154 0.000 2.660 284 G HA2 1.007 4.968 3.960 0.001 0.000 0.290 284 G HA3 1.007 4.968 3.960 0.001 0.000 0.290 284 G C -0.356 174.492 174.900 -0.086 0.000 1.432 284 G CA 0.258 45.346 45.100 -0.021 0.000 0.807 284 G HN 1.916 nan 8.290 nan 0.000 0.485 285 G N -2.054 106.408 108.800 -0.563 0.000 2.340 285 G HA2 0.930 4.891 3.960 0.001 0.000 0.299 285 G HA3 0.930 4.891 3.960 0.001 0.000 0.299 285 G C -0.328 174.186 174.900 -0.643 0.000 1.291 285 G CA 0.567 45.439 45.100 -0.381 0.000 0.841 285 G HN 2.252 nan 8.290 nan 0.000 0.500 286 G N -1.314 107.602 108.800 0.195 0.000 2.320 286 G HA2 0.568 4.528 3.960 0.001 0.000 0.297 286 G HA3 0.568 4.528 3.960 0.001 0.000 0.297 286 G C -1.134 174.176 174.900 0.682 0.000 1.344 286 G CA -0.287 45.073 45.100 0.433 0.000 0.851 286 G HN 0.713 nan 8.290 nan 0.000 0.567 287 R N -0.875 119.912 120.500 0.477 0.000 2.531 287 R HA 0.604 4.945 4.340 0.001 0.000 0.273 287 R C -0.301 176.145 176.300 0.242 0.000 1.070 287 R CA -0.400 55.806 56.100 0.177 0.000 1.112 287 R CB 0.375 30.720 30.300 0.075 0.000 1.049 287 R HN 0.945 nan 8.270 nan 0.000 0.508 288 Y N -0.484 119.872 120.300 0.092 0.000 2.885 288 Y HA 0.350 4.900 4.550 0.001 0.000 0.258 288 Y C -1.343 174.524 175.900 -0.056 0.000 0.926 288 Y CA -1.448 56.663 58.100 0.017 0.000 1.121 288 Y CB -0.408 37.950 38.460 -0.170 0.000 1.213 288 Y HN 0.408 nan 8.280 nan 0.000 0.648 289 D N 1.396 121.722 120.400 -0.123 0.000 2.449 289 D HA 0.391 5.032 4.640 0.001 0.000 0.236 289 D C 1.415 177.707 176.300 -0.014 0.000 1.149 289 D CA 2.111 56.048 54.000 -0.106 0.000 0.878 289 D CB 1.218 41.955 40.800 -0.106 0.000 1.198 289 D HN 0.778 nan 8.370 nan 0.000 0.446 290 G N 0.492 109.280 108.800 -0.021 0.000 2.284 290 G HA2 -0.328 3.633 3.960 0.001 0.000 0.230 290 G HA3 -0.328 3.633 3.960 0.001 0.000 0.230 290 G C 1.014 175.919 174.900 0.008 0.000 1.021 290 G CA 0.329 45.429 45.100 0.001 0.000 0.619 290 G HN 0.494 nan 8.290 nan 0.000 0.510 291 L N 2.633 123.869 121.223 0.022 0.000 2.013 291 L HA -0.018 4.323 4.340 0.001 0.000 0.212 291 L C 3.010 179.851 176.870 -0.049 0.000 1.073 291 L CA 3.564 58.393 54.840 -0.017 0.000 0.753 291 L CB -0.919 41.081 42.059 -0.099 0.000 0.890 291 L HN 0.857 nan 8.230 nan 0.000 0.432 292 S N -1.086 114.582 115.700 -0.052 0.000 2.374 292 S HA -0.269 4.201 4.470 0.001 0.000 0.227 292 S C 1.790 176.366 174.600 -0.042 0.000 1.037 292 S CA 1.529 59.694 58.200 -0.059 0.000 1.024 292 S CB -0.887 62.272 63.200 -0.068 0.000 0.861 292 S HN 0.674 nan 8.310 nan 0.000 0.456 293 E N 1.301 121.483 120.200 -0.030 0.000 2.150 293 E HA 0.057 4.408 4.350 0.001 0.000 0.193 293 E C 2.010 178.598 176.600 -0.020 0.000 0.985 293 E CA 0.911 57.298 56.400 -0.021 0.000 0.814 293 E CB -0.382 29.310 29.700 -0.014 0.000 0.752 293 E HN 0.495 nan 8.360 nan 0.000 0.466 294 L N 0.465 121.677 121.223 -0.019 0.000 2.131 294 L HA -0.140 4.201 4.340 0.001 0.000 0.210 294 L C 1.866 178.717 176.870 -0.032 0.000 1.092 294 L CA 0.775 55.606 54.840 -0.015 0.000 0.759 294 L CB -0.133 41.925 42.059 -0.002 0.000 0.903 294 L HN 0.189 nan 8.230 nan 0.000 0.435 295 L N -0.346 120.849 121.223 -0.048 0.000 2.612 295 L HA 0.198 4.539 4.340 0.001 0.000 0.230 295 L C 1.120 177.958 176.870 -0.053 0.000 1.140 295 L CA 0.296 55.097 54.840 -0.064 0.000 0.896 295 L CB -0.459 41.547 42.059 -0.088 0.000 1.065 295 L HN 0.419 nan 8.230 nan 0.000 0.447 296 G N 0.435 109.211 108.800 -0.039 0.000 2.212 296 G HA2 -0.163 3.797 3.960 0.001 0.000 0.255 296 G HA3 -0.163 3.797 3.960 0.001 0.000 0.255 296 G C 0.234 175.115 174.900 -0.031 0.000 1.062 296 G CA -0.055 45.026 45.100 -0.033 0.000 0.815 296 G HN 0.548 nan 8.290 nan 0.000 0.497 297 G N -0.983 107.801 108.800 -0.027 0.000 2.816 297 G HA2 0.852 4.813 3.960 0.001 0.000 0.288 297 G HA3 0.852 4.813 3.960 0.001 0.000 0.288 297 G C -2.508 172.384 174.900 -0.013 0.000 1.334 297 G CA -1.085 44.004 45.100 -0.019 0.000 0.978 297 G HN 0.181 nan 8.290 nan 0.000 0.493 298 P HA 0.227 nan 4.420 nan 0.000 0.275 298 P C -0.258 177.036 177.300 -0.010 0.000 1.270 298 P CA -0.546 62.553 63.100 -0.002 0.000 0.791 298 P CB 0.491 32.196 31.700 0.009 0.000 1.089 299 R N 0.415 120.907 120.500 -0.013 0.000 2.347 299 R HA 0.327 4.667 4.340 0.001 0.000 0.304 299 R C -1.391 174.883 176.300 -0.043 0.000 1.072 299 R CA -0.032 56.051 56.100 -0.028 0.000 0.980 299 R CB -0.222 30.065 30.300 -0.023 0.000 0.986 299 R HN 0.198 nan 8.270 nan 0.000 0.448 300 V N 7.884 127.747 119.914 -0.084 0.000 2.462 300 V HA 0.297 4.417 4.120 0.001 0.000 0.288 300 V C -2.251 173.728 176.094 -0.191 0.000 1.020 300 V CA -1.884 60.324 62.300 -0.154 0.000 0.857 300 V CB 1.706 33.370 31.823 -0.265 0.000 1.013 300 V HN 0.836 nan 8.190 nan 0.000 0.431 301 P HA 0.571 nan 4.420 nan 0.000 0.274 301 P C 0.085 177.197 177.300 -0.314 0.000 1.231 301 P CA 0.107 63.082 63.100 -0.208 0.000 0.790 301 P CB 1.051 32.674 31.700 -0.129 0.000 0.951 302 G N -0.333 108.164 108.800 -0.504 0.000 2.667 302 G HA2 0.554 4.514 3.960 0.001 0.000 0.294 302 G HA3 0.554 4.514 3.960 0.001 0.000 0.294 302 G C -1.694 172.630 174.900 -0.961 0.000 1.467 302 G CA -0.546 44.151 45.100 -0.670 0.000 0.852 302 G HN 0.381 nan 8.290 nan 0.000 0.521 303 V N -0.829 118.861 119.914 -0.374 0.000 3.078 303 V HA 1.077 5.197 4.120 0.001 0.000 0.311 303 V C 0.552 176.830 176.094 0.307 0.000 1.138 303 V CA -0.172 62.140 62.300 0.020 0.000 1.007 303 V CB 1.343 33.278 31.823 0.186 0.000 1.045 303 V HN 2.115 nan 8.190 nan 0.000 0.432 304 G N 0.692 109.826 108.800 0.556 0.000 2.320 304 G HA2 0.718 4.679 3.960 0.001 0.000 0.296 304 G HA3 0.718 4.679 3.960 0.001 0.000 0.296 304 G C -1.705 173.601 174.900 0.677 0.000 1.306 304 G CA 0.018 45.427 45.100 0.516 0.000 0.836 304 G HN 1.727 nan 8.290 nan 0.000 0.517 305 F N -2.372 117.868 119.950 0.484 0.000 2.789 305 F HA 0.967 5.494 4.527 0.000 0.000 0.319 305 F C -0.442 175.543 175.800 0.308 0.000 1.168 305 F CA -1.172 57.055 58.000 0.379 0.000 0.934 305 F CB 1.541 40.860 39.000 0.530 0.000 1.375 305 F HN 1.584 nan 8.300 nan 0.000 0.480 306 A N 1.307 124.418 122.820 0.484 0.000 2.532 306 A HA 0.663 4.984 4.320 0.001 0.000 0.296 306 A C -1.947 175.877 177.584 0.401 0.000 1.058 306 A CA -0.538 51.659 52.037 0.267 0.000 0.729 306 A CB 0.573 19.641 19.000 0.114 0.000 1.285 306 A HN 1.437 nan 8.150 nan 0.000 0.396 307 F N 0.862 120.991 119.950 0.298 0.000 2.532 307 F HA 0.819 5.346 4.527 0.001 0.000 0.321 307 F C 0.459 176.330 175.800 0.118 0.000 1.089 307 F CA -1.018 57.096 58.000 0.189 0.000 0.926 307 F CB 1.520 40.634 39.000 0.190 0.000 1.168 307 F HN 0.734 nan 8.300 nan 0.000 0.459 308 G N 2.290 111.238 108.800 0.247 0.000 2.360 308 G HA2 0.375 4.335 3.960 0.001 0.000 0.279 308 G HA3 0.375 4.335 3.960 0.001 0.000 0.279 308 G C 0.517 175.522 174.900 0.175 0.000 1.189 308 G CA -0.516 44.662 45.100 0.129 0.000 0.941 308 G HN 0.771 nan 8.290 nan 0.000 0.445 309 V N 2.891 122.866 119.914 0.100 0.000 2.392 309 V HA -0.202 3.918 4.120 0.001 0.000 0.249 309 V C 2.639 178.657 176.094 -0.127 0.000 1.059 309 V CA 2.261 64.570 62.300 0.015 0.000 1.051 309 V CB -0.492 31.242 31.823 -0.148 0.000 0.658 309 V HN 0.697 nan 8.190 nan 0.000 0.455 310 E N -0.055 120.095 120.200 -0.083 0.000 2.051 310 E HA -0.148 4.202 4.350 0.001 0.000 0.192 310 E C 2.486 179.056 176.600 -0.051 0.000 0.991 310 E CA 0.973 57.354 56.400 -0.032 0.000 0.799 310 E CB -0.293 29.430 29.700 0.038 0.000 0.748 310 E HN 0.403 nan 8.360 nan 0.000 0.449 311 R N 0.335 120.786 120.500 -0.082 0.000 2.083 311 R HA -0.111 4.230 4.340 0.001 0.000 0.237 311 R C 2.384 178.637 176.300 -0.079 0.000 1.137 311 R CA 1.275 57.321 56.100 -0.090 0.000 0.951 311 R CB -1.091 29.154 30.300 -0.091 0.000 0.851 311 R HN 0.170 nan 8.270 nan 0.000 0.434 312 V N 1.450 121.339 119.914 -0.041 0.000 2.392 312 V HA -0.250 3.870 4.120 0.001 0.000 0.249 312 V C 2.620 178.652 176.094 -0.104 0.000 1.059 312 V CA 1.890 64.138 62.300 -0.087 0.000 1.051 312 V CB -0.950 30.856 31.823 -0.028 0.000 0.658 312 V HN 0.351 nan 8.190 nan 0.000 0.455 313 A N -0.222 122.561 122.820 -0.063 0.000 1.902 313 A HA -0.149 4.172 4.320 0.001 0.000 0.217 313 A C 2.239 179.809 177.584 -0.024 0.000 1.181 313 A CA 1.786 53.808 52.037 -0.025 0.000 0.623 313 A CB -0.521 18.498 19.000 0.031 0.000 0.818 313 A HN 0.500 nan 8.150 nan 0.000 0.443 314 L N -0.825 120.378 121.223 -0.034 0.000 2.046 314 L HA -0.209 4.132 4.340 0.001 0.000 0.208 314 L C 3.131 179.941 176.870 -0.101 0.000 1.077 314 L CA 1.065 55.883 54.840 -0.036 0.000 0.747 314 L CB -0.556 41.483 42.059 -0.032 0.000 0.896 314 L HN 0.453 nan 8.230 nan 0.000 0.432 315 A N 0.185 122.875 122.820 -0.215 0.000 1.883 315 A HA -0.200 4.121 4.320 0.001 0.000 0.217 315 A C 2.245 179.673 177.584 -0.259 0.000 1.186 315 A CA 1.570 53.324 52.037 -0.472 0.000 0.624 315 A CB -0.804 17.823 19.000 -0.622 0.000 0.822 315 A HN 0.341 nan 8.150 nan 0.000 0.444 316 L N -0.791 120.341 121.223 -0.152 0.000 2.012 316 L HA -0.248 4.093 4.340 0.001 0.000 0.210 316 L C 2.735 179.690 176.870 0.143 0.000 1.073 316 L CA 2.016 56.839 54.840 -0.029 0.000 0.748 316 L CB -0.518 41.484 42.059 -0.096 0.000 0.891 316 L HN 0.632 nan 8.230 nan 0.000 0.431 317 E N 0.259 120.499 120.200 0.066 0.000 2.085 317 E HA -0.270 4.081 4.350 0.001 0.000 0.194 317 E C 2.198 178.841 176.600 0.072 0.000 0.994 317 E CA 1.249 57.696 56.400 0.077 0.000 0.801 317 E CB -0.021 29.706 29.700 0.046 0.000 0.743 317 E HN 0.466 nan 8.360 nan 0.000 0.453 318 A N 1.250 124.098 122.820 0.047 0.000 1.908 318 A HA -0.196 4.124 4.320 0.001 0.000 0.218 318 A C 1.754 179.405 177.584 0.111 0.000 1.181 318 A CA 1.568 53.648 52.037 0.071 0.000 0.627 318 A CB -0.447 18.597 19.000 0.074 0.000 0.818 318 A HN 0.329 nan 8.150 nan 0.000 0.445 319 E N -1.019 119.278 120.200 0.163 0.000 2.416 319 E HA 0.260 4.611 4.350 0.001 0.000 0.189 319 E C 0.885 177.527 176.600 0.069 0.000 1.091 319 E CA 0.198 56.721 56.400 0.205 0.000 0.889 319 E CB -0.423 29.504 29.700 0.378 0.000 1.015 319 E HN 0.753 nan 8.360 nan 0.000 0.479 320 G N 1.328 110.148 108.800 0.033 0.000 2.160 320 G HA2 -0.297 3.664 3.960 0.001 0.000 0.251 320 G HA3 -0.297 3.664 3.960 0.001 0.000 0.251 320 G C -0.158 174.633 174.900 -0.181 0.000 1.008 320 G CA -0.184 44.865 45.100 -0.084 0.000 0.724 320 G HN 0.239 nan 8.290 nan 0.000 0.514 321 F N 1.194 121.140 119.950 -0.007 0.000 2.404 321 F HA 0.577 5.104 4.527 0.001 0.000 0.358 321 F C 1.187 176.984 175.800 -0.006 0.000 1.120 321 F CA 0.448 58.443 58.000 -0.009 0.000 1.144 321 F CB 1.484 40.474 39.000 -0.017 0.000 1.133 321 F HN 0.229 nan 8.300 nan 0.000 0.495 322 G N 2.932 111.805 108.800 0.122 0.000 2.820 322 G HA2 0.695 4.655 3.960 0.001 0.000 0.291 322 G HA3 0.695 4.655 3.960 0.001 0.000 0.291 322 G C -1.885 173.065 174.900 0.084 0.000 1.323 322 G CA -0.659 44.489 45.100 0.080 0.000 1.055 322 G HN 0.349 nan 8.290 nan 0.000 0.520 323 L N 1.259 122.515 121.223 0.054 0.000 2.354 323 L HA 0.609 4.949 4.340 0.001 0.000 0.269 323 L C -1.677 175.211 176.870 0.031 0.000 1.005 323 L CA -1.850 53.019 54.840 0.047 0.000 0.819 323 L CB 2.026 44.110 42.059 0.041 0.000 1.311 323 L HN 0.414 nan 8.230 nan 0.000 0.423 324 P HA 0.238 nan 4.420 nan 0.000 0.312 324 P C -0.992 176.318 177.300 0.016 0.000 1.308 324 P CA -0.532 62.579 63.100 0.019 0.000 0.743 324 P CB 0.576 32.288 31.700 0.020 0.000 1.364 325 E N 0.197 120.404 120.200 0.011 0.000 2.289 325 E HA 0.136 4.486 4.350 0.001 0.000 0.278 325 E C -0.042 176.565 176.600 0.012 0.000 1.032 325 E CA -0.294 56.112 56.400 0.009 0.000 0.854 325 E CB 0.291 29.992 29.700 0.003 0.000 1.046 325 E HN 0.355 nan 8.360 nan 0.000 0.409 326 E N 2.513 122.721 120.200 0.013 0.000 2.417 326 E HA -0.053 4.298 4.350 0.001 0.000 0.261 326 E C -0.455 176.152 176.600 0.011 0.000 1.000 326 E CA 0.183 56.592 56.400 0.016 0.000 0.919 326 E CB 0.342 30.054 29.700 0.020 0.000 0.955 326 E HN 0.129 nan 8.360 nan 0.000 0.455 327 K N 2.607 123.016 120.400 0.014 0.000 2.436 327 K HA 0.213 4.533 4.320 0.001 0.000 0.275 327 K C 0.316 176.922 176.600 0.010 0.000 0.999 327 K CA 0.343 56.638 56.287 0.013 0.000 0.980 327 K CB 0.784 33.297 32.500 0.020 0.000 0.919 327 K HN 0.676 nan 8.250 nan 0.000 0.484 328 G N 2.636 111.440 108.800 0.006 0.000 2.531 328 G HA2 0.368 4.328 3.960 0.001 0.000 0.313 328 G HA3 0.368 4.328 3.960 0.001 0.000 0.313 328 G C -2.491 172.423 174.900 0.024 0.000 1.238 328 G CA -1.175 43.925 45.100 0.001 0.000 0.994 328 G HN 0.386 nan 8.290 nan 0.000 0.493 329 P HA 0.150 nan 4.420 nan 0.000 0.271 329 P C -0.267 177.092 177.300 0.099 0.000 1.218 329 P CA -0.231 62.912 63.100 0.072 0.000 0.780 329 P CB 1.503 33.262 31.700 0.100 0.000 0.901 330 D N 0.808 121.276 120.400 0.113 0.000 2.144 330 D HA -0.063 4.577 4.640 0.001 0.000 0.199 330 D C 0.646 177.078 176.300 0.221 0.000 0.984 330 D CA 1.646 55.740 54.000 0.157 0.000 0.834 330 D CB -0.021 40.857 40.800 0.129 0.000 0.955 330 D HN 0.221 nan 8.370 nan 0.000 0.465 331 L N -0.683 120.649 121.223 0.181 0.000 2.455 331 L HA 0.365 4.706 4.340 0.001 0.000 0.264 331 L C -1.971 175.022 176.870 0.205 0.000 0.968 331 L CA -1.075 53.881 54.840 0.193 0.000 0.827 331 L CB 2.221 44.353 42.059 0.121 0.000 1.317 331 L HN -0.163 nan 8.230 nan 0.000 0.407 332 Y N 5.312 125.639 120.300 0.045 0.000 2.376 332 Y HA 0.617 5.167 4.550 0.001 0.000 0.326 332 Y C -1.368 174.531 175.900 -0.002 0.000 0.970 332 Y CA -0.835 57.278 58.100 0.020 0.000 1.248 332 Y CB 1.093 39.549 38.460 -0.007 0.000 1.117 332 Y HN 0.573 nan 8.280 nan 0.000 0.476 333 L N 7.826 128.850 121.223 -0.333 0.000 2.319 333 L HA 0.390 4.731 4.340 0.001 0.000 0.280 333 L C -0.113 176.488 176.870 -0.448 0.000 1.099 333 L CA -0.392 54.278 54.840 -0.283 0.000 0.828 333 L CB 1.088 43.081 42.059 -0.110 0.000 1.150 333 L HN 0.663 nan 8.230 nan 0.000 0.442 334 I N 5.607 126.012 120.570 -0.275 0.000 2.382 334 I HA 0.451 4.621 4.170 0.001 0.000 0.286 334 I C -2.513 173.609 176.117 0.008 0.000 1.002 334 I CA -2.268 58.948 61.300 -0.139 0.000 1.135 334 I CB 2.182 40.173 38.000 -0.014 0.000 1.288 334 I HN 0.332 nan 8.210 nan 0.000 0.448 335 P HA 0.264 nan 4.420 nan 0.000 0.281 335 P C 0.123 177.460 177.300 0.062 0.000 1.252 335 P CA -0.265 62.851 63.100 0.027 0.000 0.778 335 P CB 1.157 32.857 31.700 -0.001 0.000 0.895 336 L N 1.135 122.398 121.223 0.067 0.000 2.590 336 L HA 0.181 4.521 4.340 0.001 0.000 0.227 336 L C 1.025 177.915 176.870 0.032 0.000 1.099 336 L CA 0.495 55.371 54.840 0.060 0.000 0.872 336 L CB -0.102 41.992 42.059 0.057 0.000 1.088 336 L HN 0.447 nan 8.230 nan 0.000 0.479 337 T N -5.590 108.978 114.554 0.024 0.000 2.896 337 T HA 0.264 4.615 4.350 0.001 0.000 0.297 337 T C 0.453 175.158 174.700 0.008 0.000 1.108 337 T CA -0.616 61.492 62.100 0.014 0.000 1.004 337 T CB 2.556 71.430 68.868 0.012 0.000 1.159 337 T HN -0.140 nan 8.240 nan 0.000 0.499 338 E N 0.551 120.754 120.200 0.005 0.000 2.110 338 E HA -0.140 4.210 4.350 0.001 0.000 0.193 338 E C 1.807 178.403 176.600 -0.007 0.000 0.988 338 E CA 1.690 58.089 56.400 -0.001 0.000 0.804 338 E CB -0.126 29.575 29.700 0.000 0.000 0.745 338 E HN 0.832 nan 8.360 nan 0.000 0.458 339 E N -0.931 119.269 120.200 0.001 0.000 2.268 339 E HA -0.144 4.207 4.350 0.001 0.000 0.195 339 E C 1.687 178.286 176.600 -0.003 0.000 0.995 339 E CA 0.790 57.193 56.400 0.005 0.000 0.836 339 E CB -0.098 29.610 29.700 0.014 0.000 0.763 339 E HN 0.340 nan 8.360 nan 0.000 0.491 340 A N 0.649 123.464 122.820 -0.009 0.000 1.968 340 A HA -0.091 4.229 4.320 0.001 0.000 0.217 340 A C 2.378 179.924 177.584 -0.062 0.000 1.169 340 A CA 1.162 53.187 52.037 -0.019 0.000 0.638 340 A CB -0.775 18.225 19.000 -0.000 0.000 0.812 340 A HN 0.301 nan 8.150 nan 0.000 0.446 341 V N -1.656 118.218 119.914 -0.065 0.000 2.252 341 V HA -0.247 3.873 4.120 0.001 0.000 0.249 341 V C 2.507 178.472 176.094 -0.215 0.000 1.056 341 V CA 2.320 64.558 62.300 -0.104 0.000 1.022 341 V CB -1.669 30.115 31.823 -0.064 0.000 0.641 341 V HN 0.508 nan 8.190 nan 0.000 0.445 342 A N -0.162 122.526 122.820 -0.220 0.000 1.933 342 A HA -0.147 4.174 4.320 0.001 0.000 0.218 342 A C 2.169 179.360 177.584 -0.655 0.000 1.175 342 A CA 1.699 53.488 52.037 -0.414 0.000 0.628 342 A CB -0.606 18.245 19.000 -0.247 0.000 0.814 342 A HN 0.632 nan 8.150 nan 0.000 0.444 343 E N 0.032 120.077 120.200 -0.259 0.000 2.150 343 E HA -0.098 4.253 4.350 0.001 0.000 0.193 343 E C 2.305 178.814 176.600 -0.151 0.000 0.985 343 E CA 1.126 57.483 56.400 -0.073 0.000 0.814 343 E CB -0.574 29.145 29.700 0.031 0.000 0.752 343 E HN 0.586 nan 8.360 nan 0.000 0.466 344 A N 1.074 123.765 122.820 -0.215 0.000 1.902 344 A HA -0.179 4.141 4.320 0.001 0.000 0.217 344 A C 2.065 179.417 177.584 -0.387 0.000 1.181 344 A CA 1.271 53.172 52.037 -0.226 0.000 0.623 344 A CB -0.792 18.090 19.000 -0.197 0.000 0.818 344 A HN 0.287 nan 8.150 nan 0.000 0.443 345 F N 0.021 119.460 119.950 -0.851 0.000 2.095 345 F HA -0.209 4.319 4.527 0.001 0.000 0.298 345 F C 2.076 177.629 175.800 -0.412 0.000 1.104 345 F CA 1.523 58.918 58.000 -1.008 0.000 1.232 345 F CB -0.774 37.636 39.000 -0.984 0.000 0.987 345 F HN 0.313 nan 8.300 nan 0.000 0.475 346 Y N 0.017 120.048 120.300 -0.447 0.000 2.165 346 Y HA -0.181 4.369 4.550 0.001 0.000 0.286 346 Y C 2.394 178.109 175.900 -0.308 0.000 1.155 346 Y CA 1.307 59.141 58.100 -0.443 0.000 1.164 346 Y CB -1.551 36.773 38.460 -0.225 0.000 0.978 346 Y HN 0.207 nan 8.280 nan 0.000 0.513 347 L N 0.249 121.435 121.223 -0.062 0.000 2.017 347 L HA -0.114 4.227 4.340 0.001 0.000 0.208 347 L C 2.400 179.233 176.870 -0.062 0.000 1.073 347 L CA 1.970 56.779 54.840 -0.052 0.000 0.745 347 L CB -1.270 40.764 42.059 -0.042 0.000 0.894 347 L HN 0.134 nan 8.230 nan 0.000 0.432 348 A N -0.892 121.885 122.820 -0.071 0.000 1.892 348 A HA -0.232 4.088 4.320 0.001 0.000 0.218 348 A C 2.206 179.781 177.584 -0.016 0.000 1.188 348 A CA 1.854 53.903 52.037 0.021 0.000 0.631 348 A CB -0.730 18.386 19.000 0.193 0.000 0.822 348 A HN 0.521 nan 8.150 nan 0.000 0.447 349 E N -0.293 119.827 120.200 -0.134 0.000 2.160 349 E HA -0.138 4.212 4.350 0.001 0.000 0.195 349 E C 2.225 178.777 176.600 -0.080 0.000 0.991 349 E CA 1.149 57.467 56.400 -0.137 0.000 0.810 349 E CB -0.413 29.097 29.700 -0.318 0.000 0.742 349 E HN 0.585 nan 8.360 nan 0.000 0.466 350 A N 0.359 123.133 122.820 -0.077 0.000 1.968 350 A HA -0.053 4.268 4.320 0.001 0.000 0.217 350 A C 2.262 179.830 177.584 -0.027 0.000 1.169 350 A CA 0.629 52.635 52.037 -0.051 0.000 0.638 350 A CB -0.333 18.636 19.000 -0.050 0.000 0.812 350 A HN 0.186 nan 8.150 nan 0.000 0.446 351 L N -0.816 120.398 121.223 -0.016 0.000 2.209 351 L HA 0.032 4.372 4.340 0.001 0.000 0.207 351 L C 1.053 177.930 176.870 0.012 0.000 1.094 351 L CA 0.151 54.992 54.840 0.001 0.000 0.790 351 L CB -0.281 41.784 42.059 0.011 0.000 0.932 351 L HN 0.237 nan 8.230 nan 0.000 0.447 352 R N 1.051 121.560 120.500 0.016 0.000 2.641 352 R HA 0.090 4.431 4.340 0.001 0.000 0.269 352 R C -1.402 174.908 176.300 0.016 0.000 1.074 352 R CA -1.021 55.095 56.100 0.027 0.000 1.133 352 R CB 0.145 30.470 30.300 0.041 0.000 1.029 352 R HN -0.057 nan 8.270 nan 0.000 0.488 353 P HA 0.074 nan 4.420 nan 0.000 0.264 353 P C 0.644 177.960 177.300 0.027 0.000 1.259 353 P CA 0.261 63.378 63.100 0.029 0.000 0.841 353 P CB 0.432 32.149 31.700 0.028 0.000 1.232 354 R N -0.256 120.257 120.500 0.021 0.000 2.193 354 R HA 0.027 4.367 4.340 0.001 0.000 0.229 354 R C 0.301 176.616 176.300 0.024 0.000 1.110 354 R CA 0.956 57.068 56.100 0.019 0.000 0.988 354 R CB -0.669 29.639 30.300 0.013 0.000 0.871 354 R HN 0.136 nan 8.270 nan 0.000 0.458 355 L N -0.147 121.093 121.223 0.028 0.000 2.408 355 L HA 0.429 4.770 4.340 0.001 0.000 0.268 355 L C -0.854 176.045 176.870 0.048 0.000 0.986 355 L CA -0.907 53.955 54.840 0.037 0.000 0.820 355 L CB 1.934 44.011 42.059 0.029 0.000 1.303 355 L HN -0.036 nan 8.230 nan 0.000 0.411 356 R N 3.157 123.692 120.500 0.058 0.000 2.248 356 R HA 0.709 5.050 4.340 0.001 0.000 0.337 356 R C -1.049 175.302 176.300 0.085 0.000 1.106 356 R CA -0.158 55.982 56.100 0.066 0.000 0.959 356 R CB 0.385 30.721 30.300 0.061 0.000 1.075 356 R HN 0.720 nan 8.270 nan 0.000 0.480 357 A N 4.701 127.578 122.820 0.094 0.000 2.304 357 A HA 0.391 4.711 4.320 0.001 0.000 0.314 357 A C -0.826 176.850 177.584 0.152 0.000 1.187 357 A CA -0.693 51.417 52.037 0.121 0.000 0.810 357 A CB 1.016 20.079 19.000 0.106 0.000 1.183 357 A HN 0.827 nan 8.150 nan 0.000 0.487 358 E N 0.216 120.510 120.200 0.157 0.000 2.299 358 E HA 0.729 5.080 4.350 0.001 0.000 0.260 358 E C -1.449 175.183 176.600 0.052 0.000 0.944 358 E CA -0.608 55.843 56.400 0.085 0.000 0.815 358 E CB 2.123 31.918 29.700 0.157 0.000 1.252 358 E HN 0.728 nan 8.360 nan 0.000 0.418 359 Y N -2.295 117.976 120.300 -0.049 0.000 2.656 359 Y HA 0.704 5.255 4.550 0.001 0.000 0.334 359 Y C -1.281 174.486 175.900 -0.223 0.000 1.179 359 Y CA -1.518 56.373 58.100 -0.349 0.000 1.050 359 Y CB 0.479 38.837 38.460 -0.169 0.000 1.308 359 Y HN 0.501 nan 8.280 nan 0.000 0.456 360 A N 1.705 124.452 122.820 -0.122 0.000 2.316 360 A HA 0.607 4.927 4.320 0.001 0.000 0.284 360 A C -0.109 177.568 177.584 0.155 0.000 1.115 360 A CA -0.784 51.286 52.037 0.055 0.000 0.812 360 A CB 0.442 19.471 19.000 0.049 0.000 1.064 360 A HN 0.960 nan 8.150 nan 0.000 0.489 361 L N 0.852 122.143 121.223 0.113 0.000 2.685 361 L HA 0.381 4.721 4.340 0.001 0.000 0.233 361 L C 0.660 177.555 176.870 0.041 0.000 1.173 361 L CA 0.465 55.360 54.840 0.092 0.000 0.961 361 L CB -0.316 41.777 42.059 0.056 0.000 1.217 361 L HN 0.817 nan 8.230 nan 0.000 0.478 362 A N -0.624 122.222 122.820 0.043 0.000 2.589 362 A HA 0.696 5.016 4.320 0.001 0.000 0.296 362 A C -2.835 174.770 177.584 0.035 0.000 1.062 362 A CA -1.061 50.993 52.037 0.029 0.000 0.686 362 A CB 1.267 20.284 19.000 0.029 0.000 1.282 362 A HN -0.177 nan 8.150 nan 0.000 0.404 363 P HA 0.500 nan 4.420 nan 0.000 0.271 363 P C -0.761 176.567 177.300 0.046 0.000 1.218 363 P CA -0.113 63.008 63.100 0.035 0.000 0.780 363 P CB 0.561 32.276 31.700 0.024 0.000 0.901 364 R N 0.129 120.667 120.500 0.062 0.000 2.716 364 R HA 0.436 4.776 4.340 0.001 0.000 0.271 364 R C -1.128 175.220 176.300 0.080 0.000 1.028 364 R CA -1.027 55.115 56.100 0.069 0.000 0.883 364 R CB 0.803 31.155 30.300 0.085 0.000 1.250 364 R HN 0.219 nan 8.270 nan 0.000 0.465 365 K N 0.936 121.378 120.400 0.069 0.000 2.355 365 K HA 0.111 4.431 4.320 0.001 0.000 0.270 365 K C -1.828 174.833 176.600 0.101 0.000 1.003 365 K CA -1.349 54.974 56.287 0.059 0.000 0.957 365 K CB 0.691 33.216 32.500 0.041 0.000 0.939 365 K HN 0.262 nan 8.250 nan 0.000 0.482 366 P HA -0.286 nan 4.420 nan 0.000 0.215 366 P C 1.076 178.506 177.300 0.217 0.000 1.163 366 P CA 1.848 65.024 63.100 0.126 0.000 0.894 366 P CB 0.130 31.718 31.700 -0.186 0.000 0.791 367 A N -0.422 122.464 122.820 0.110 0.000 1.908 367 A HA -0.274 4.046 4.320 0.001 0.000 0.218 367 A C 2.075 179.729 177.584 0.116 0.000 1.181 367 A CA 2.174 54.275 52.037 0.107 0.000 0.627 367 A CB -1.112 17.923 19.000 0.059 0.000 0.818 367 A HN 0.185 nan 8.150 nan 0.000 0.445 368 K N -0.996 119.467 120.400 0.106 0.000 2.025 368 K HA -0.066 4.254 4.320 0.001 0.000 0.207 368 K C 2.170 178.848 176.600 0.130 0.000 1.049 368 K CA 1.110 57.456 56.287 0.097 0.000 0.933 368 K CB -0.504 32.045 32.500 0.081 0.000 0.714 368 K HN 0.451 nan 8.250 nan 0.000 0.438 369 G N 1.477 110.386 108.800 0.182 0.000 2.432 369 G HA2 -0.229 3.731 3.960 0.001 0.000 0.219 369 G HA3 -0.229 3.731 3.960 0.001 0.000 0.219 369 G C 1.448 176.480 174.900 0.220 0.000 1.135 369 G CA 0.398 45.638 45.100 0.233 0.000 0.767 369 G HN 0.086 nan 8.290 nan 0.000 0.550 370 L N 0.561 121.909 121.223 0.209 0.000 2.056 370 L HA 0.058 4.399 4.340 0.001 0.000 0.207 370 L C 2.646 179.566 176.870 0.083 0.000 1.078 370 L CA 2.230 57.164 54.840 0.156 0.000 0.749 370 L CB -0.428 41.759 42.059 0.213 0.000 0.901 370 L HN 0.419 nan 8.230 nan 0.000 0.433 371 E N -0.518 119.727 120.200 0.075 0.000 2.077 371 E HA -0.267 4.083 4.350 0.001 0.000 0.193 371 E C 1.917 178.509 176.600 -0.014 0.000 0.989 371 E CA 1.566 57.983 56.400 0.029 0.000 0.800 371 E CB -0.053 29.666 29.700 0.032 0.000 0.746 371 E HN 0.633 nan 8.360 nan 0.000 0.452 372 E N 0.030 120.224 120.200 -0.010 0.000 2.106 372 E HA -0.168 4.182 4.350 0.001 0.000 0.192 372 E C 2.016 178.427 176.600 -0.315 0.000 0.984 372 E CA 0.812 57.141 56.400 -0.118 0.000 0.806 372 E CB -0.104 29.573 29.700 -0.040 0.000 0.750 372 E HN 0.347 nan 8.360 nan 0.000 0.458 373 A N 0.921 123.610 122.820 -0.219 0.000 1.902 373 A HA -0.168 4.153 4.320 0.001 0.000 0.217 373 A C 2.095 179.580 177.584 -0.165 0.000 1.181 373 A CA 1.004 52.894 52.037 -0.246 0.000 0.623 373 A CB -0.395 18.635 19.000 0.051 0.000 0.818 373 A HN 0.123 nan 8.150 nan 0.000 0.443 374 L N -0.246 120.921 121.223 -0.093 0.000 2.056 374 L HA -0.089 4.252 4.340 0.001 0.000 0.207 374 L C 2.377 179.196 176.870 -0.085 0.000 1.078 374 L CA 2.198 56.997 54.840 -0.067 0.000 0.749 374 L CB -0.558 41.481 42.059 -0.034 0.000 0.901 374 L HN 0.434 nan 8.230 nan 0.000 0.433 375 K N -0.659 119.680 120.400 -0.101 0.000 2.103 375 K HA -0.168 4.152 4.320 0.001 0.000 0.207 375 K C 1.984 178.513 176.600 -0.118 0.000 1.048 375 K CA 1.341 57.571 56.287 -0.096 0.000 0.930 375 K CB 0.011 32.453 32.500 -0.097 0.000 0.716 375 K HN 0.219 nan 8.250 nan 0.000 0.444 376 R N -0.880 119.508 120.500 -0.186 0.000 2.313 376 R HA 0.034 4.374 4.340 0.001 0.000 0.199 376 R C 0.692 176.923 176.300 -0.115 0.000 0.958 376 R CA 0.543 56.533 56.100 -0.184 0.000 1.047 376 R CB 0.324 30.428 30.300 -0.326 0.000 0.955 376 R HN 0.427 nan 8.270 nan 0.000 0.481 377 G N 1.096 109.840 108.800 -0.093 0.000 2.221 377 G HA2 -0.325 3.635 3.960 0.001 0.000 0.265 377 G HA3 -0.325 3.635 3.960 0.001 0.000 0.265 377 G C 0.132 175.006 174.900 -0.042 0.000 1.041 377 G CA 0.206 45.272 45.100 -0.057 0.000 0.807 377 G HN 0.490 nan 8.290 nan 0.000 0.502 378 A N -0.593 122.196 122.820 -0.051 0.000 2.425 378 A HA 0.826 5.146 4.320 0.001 0.000 0.249 378 A C 1.582 179.165 177.584 -0.002 0.000 1.084 378 A CA 0.884 52.923 52.037 0.003 0.000 0.781 378 A CB 0.630 19.653 19.000 0.038 0.000 1.019 378 A HN 1.738 nan 8.150 nan 0.000 0.490 379 A N 2.112 124.952 122.820 0.033 0.000 1.855 379 A HA 0.364 4.685 4.320 0.001 0.000 0.213 379 A C 0.355 177.827 177.584 -0.186 0.000 1.195 379 A CA 0.882 52.887 52.037 -0.053 0.000 0.610 379 A CB -0.208 18.825 19.000 0.054 0.000 0.837 379 A HN 0.689 nan 8.150 nan 0.000 0.444 380 F N -1.279 118.698 119.950 0.045 0.000 2.508 380 F HA 0.645 5.172 4.527 0.001 0.000 0.325 380 F C 0.317 176.129 175.800 0.019 0.000 1.090 380 F CA -0.608 57.419 58.000 0.044 0.000 0.945 380 F CB 1.937 40.979 39.000 0.071 0.000 1.156 380 F HN 0.186 nan 8.300 nan 0.000 0.463 381 A N 1.671 124.582 122.820 0.151 0.000 2.317 381 A HA 0.793 5.113 4.320 0.001 0.000 0.327 381 A C -0.205 177.283 177.584 -0.161 0.000 1.178 381 A CA -0.455 51.559 52.037 -0.039 0.000 0.817 381 A CB 0.717 19.617 19.000 -0.167 0.000 1.189 381 A HN 0.913 nan 8.150 nan 0.000 0.489 382 G N 0.885 109.531 108.800 -0.257 0.000 2.544 382 G HA2 0.586 4.546 3.960 0.001 0.000 0.313 382 G HA3 0.586 4.546 3.960 0.001 0.000 0.313 382 G C -1.099 173.603 174.900 -0.331 0.000 1.316 382 G CA -0.341 44.622 45.100 -0.228 0.000 0.944 382 G HN 0.388 nan 8.290 nan 0.000 0.489 383 F N 1.421 121.387 119.950 0.026 0.000 2.408 383 F HA 0.513 5.040 4.527 0.001 0.000 0.344 383 F C 0.454 176.250 175.800 -0.006 0.000 1.112 383 F CA -0.867 57.139 58.000 0.011 0.000 1.096 383 F CB 2.019 41.031 39.000 0.019 0.000 1.129 383 F HN 0.064 nan 8.300 nan 0.000 0.486 384 L N 3.835 125.167 121.223 0.182 0.000 2.417 384 L HA 0.539 4.880 4.340 0.001 0.000 0.259 384 L C 0.242 177.159 176.870 0.079 0.000 1.023 384 L CA -0.315 54.579 54.840 0.090 0.000 0.901 384 L CB 0.851 42.928 42.059 0.030 0.000 1.227 384 L HN 0.803 nan 8.230 nan 0.000 0.454 385 G N 0.176 109.017 108.800 0.068 0.000 2.820 385 G HA2 0.284 4.244 3.960 0.001 0.000 0.291 385 G HA3 0.284 4.244 3.960 0.001 0.000 0.291 385 G C 0.414 175.326 174.900 0.021 0.000 1.323 385 G CA -0.182 44.940 45.100 0.037 0.000 1.055 385 G HN 0.444 nan 8.290 nan 0.000 0.520 386 E N -0.106 120.101 120.200 0.011 0.000 2.049 386 E HA -0.160 4.191 4.350 0.001 0.000 0.198 386 E C 1.938 178.542 176.600 0.006 0.000 1.007 386 E CA 2.052 58.456 56.400 0.007 0.000 0.809 386 E CB -0.110 29.591 29.700 0.002 0.000 0.749 386 E HN 0.490 nan 8.360 nan 0.000 0.450 387 D N 0.315 120.716 120.400 0.002 0.000 2.103 387 D HA -0.207 4.433 4.640 0.001 0.000 0.190 387 D C 1.789 178.091 176.300 0.004 0.000 0.997 387 D CA 1.793 55.793 54.000 0.000 0.000 0.833 387 D CB -0.368 40.429 40.800 -0.005 0.000 0.961 387 D HN 0.483 nan 8.370 nan 0.000 0.447 388 E N 1.234 121.440 120.200 0.011 0.000 2.110 388 E HA -0.138 4.212 4.350 0.001 0.000 0.193 388 E C 2.661 179.267 176.600 0.011 0.000 0.988 388 E CA 0.349 56.757 56.400 0.013 0.000 0.804 388 E CB -0.794 28.922 29.700 0.027 0.000 0.745 388 E HN 0.353 nan 8.360 nan 0.000 0.458 389 L N 0.644 121.875 121.223 0.014 0.000 1.989 389 L HA -0.156 4.184 4.340 0.001 0.000 0.211 389 L C 2.920 179.796 176.870 0.009 0.000 1.071 389 L CA 1.676 56.524 54.840 0.013 0.000 0.749 389 L CB -0.332 41.737 42.059 0.016 0.000 0.890 389 L HN 0.091 nan 8.230 nan 0.000 0.431 390 R N -0.379 120.125 120.500 0.006 0.000 2.148 390 R HA -0.026 4.315 4.340 0.001 0.000 0.223 390 R C 2.038 178.338 176.300 -0.000 0.000 1.088 390 R CA 1.070 57.172 56.100 0.003 0.000 0.985 390 R CB -0.285 30.016 30.300 0.002 0.000 0.880 390 R HN 0.304 nan 8.270 nan 0.000 0.451 391 A N 0.522 123.342 122.820 -0.001 0.000 2.218 391 A HA 0.227 4.548 4.320 0.001 0.000 0.209 391 A C 1.410 178.990 177.584 -0.006 0.000 1.168 391 A CA 0.612 52.647 52.037 -0.004 0.000 0.804 391 A CB -0.041 18.956 19.000 -0.004 0.000 0.834 391 A HN 0.407 nan 8.150 nan 0.000 0.482 392 G N -0.296 108.502 108.800 -0.004 0.000 2.198 392 G HA2 -0.243 3.718 3.960 0.001 0.000 0.260 392 G HA3 -0.243 3.718 3.960 0.001 0.000 0.260 392 G C -0.117 174.776 174.900 -0.012 0.000 1.025 392 G CA 0.747 45.843 45.100 -0.007 0.000 0.769 392 G HN 0.654 nan 8.290 nan 0.000 0.507 393 E N -1.898 118.296 120.200 -0.010 0.000 2.412 393 E HA 0.802 5.153 4.350 0.001 0.000 0.255 393 E C -0.451 176.143 176.600 -0.010 0.000 0.933 393 E CA -1.062 55.328 56.400 -0.016 0.000 0.823 393 E CB 2.430 32.120 29.700 -0.017 0.000 1.352 393 E HN 0.274 nan 8.360 nan 0.000 0.406 394 V N 0.421 120.324 119.914 -0.017 0.000 2.932 394 V HA 0.274 4.394 4.120 0.001 0.000 0.307 394 V C -0.852 175.245 176.094 0.005 0.000 1.147 394 V CA -0.939 61.360 62.300 -0.002 0.000 0.951 394 V CB 2.210 34.018 31.823 -0.025 0.000 1.031 394 V HN 0.662 nan 8.190 nan 0.000 0.426 395 T N 5.548 120.146 114.554 0.074 0.000 2.832 395 T HA 0.571 4.922 4.350 0.001 0.000 0.313 395 T C -0.179 174.600 174.700 0.131 0.000 1.035 395 T CA -0.100 62.075 62.100 0.125 0.000 0.950 395 T CB -0.047 68.965 68.868 0.240 0.000 0.984 395 T HN 0.342 nan 8.240 nan 0.000 0.486 396 L N 3.140 124.390 121.223 0.045 0.000 2.379 396 L HA 0.609 4.950 4.340 0.001 0.000 0.269 396 L C 0.425 177.419 176.870 0.207 0.000 1.084 396 L CA -0.707 54.179 54.840 0.077 0.000 0.802 396 L CB 1.050 43.075 42.059 -0.057 0.000 1.175 396 L HN 0.386 nan 8.230 nan 0.000 0.448 397 K N 2.832 123.414 120.400 0.303 0.000 2.652 397 K HA 0.236 4.557 4.320 0.001 0.000 0.249 397 K C -0.952 175.759 176.600 0.186 0.000 0.986 397 K CA -0.733 55.710 56.287 0.261 0.000 0.867 397 K CB 1.514 34.144 32.500 0.216 0.000 1.201 397 K HN 0.533 nan 8.250 nan 0.000 0.450 398 R N 5.764 126.293 120.500 0.049 0.000 2.351 398 R HA 0.088 4.428 4.340 0.001 0.000 0.318 398 R C 0.815 176.983 176.300 -0.220 0.000 1.055 398 R CA -0.042 55.764 56.100 -0.491 0.000 0.968 398 R CB 0.339 30.326 30.300 -0.522 0.000 0.974 398 R HN 0.729 nan 8.270 nan 0.000 0.439 399 L N 4.044 125.138 121.223 -0.216 0.000 2.349 399 L HA -0.184 4.156 4.340 0.001 0.000 0.220 399 L C 2.179 178.995 176.870 -0.090 0.000 1.130 399 L CA 1.237 56.017 54.840 -0.100 0.000 0.791 399 L CB -0.571 41.439 42.059 -0.081 0.000 0.918 399 L HN 0.781 nan 8.230 nan 0.000 0.444 400 A N 0.614 123.353 122.820 -0.135 0.000 1.835 400 A HA -0.148 4.172 4.320 0.001 0.000 0.213 400 A C 2.389 179.939 177.584 -0.057 0.000 1.210 400 A CA 1.950 53.931 52.037 -0.094 0.000 0.605 400 A CB -0.860 18.070 19.000 -0.116 0.000 0.860 400 A HN 0.429 nan 8.150 nan 0.000 0.447 401 T N -4.319 110.201 114.554 -0.058 0.000 3.081 401 T HA 0.395 4.745 4.350 0.001 0.000 0.255 401 T C 1.423 176.126 174.700 0.005 0.000 1.113 401 T CA 1.152 63.242 62.100 -0.018 0.000 1.082 401 T CB 0.174 69.039 68.868 -0.004 0.000 0.939 401 T HN 1.800 nan 8.240 nan 0.000 0.506 402 G N 1.528 110.330 108.800 0.003 0.000 2.162 402 G HA2 -0.288 3.672 3.960 0.001 0.000 0.260 402 G HA3 -0.288 3.672 3.960 0.001 0.000 0.260 402 G C -0.156 174.783 174.900 0.066 0.000 0.976 402 G CA 0.217 45.339 45.100 0.037 0.000 0.655 402 G HN 0.806 nan 8.290 nan 0.000 0.533 403 E N 0.609 120.852 120.200 0.072 0.000 2.328 403 E HA 0.325 4.676 4.350 0.001 0.000 0.265 403 E C 0.378 177.075 176.600 0.161 0.000 1.057 403 E CA -0.069 56.400 56.400 0.116 0.000 0.916 403 E CB 0.185 29.969 29.700 0.140 0.000 0.993 403 E HN 0.511 nan 8.360 nan 0.000 0.446 404 Q N 3.338 123.220 119.800 0.136 0.000 2.282 404 Q HA 0.471 4.811 4.340 0.001 0.000 0.260 404 Q C -1.537 174.520 176.000 0.095 0.000 0.964 404 Q CA -0.834 55.053 55.803 0.140 0.000 0.880 404 Q CB 1.679 30.495 28.738 0.130 0.000 1.286 404 Q HN 0.390 nan 8.270 nan 0.000 0.445 405 V N 3.185 123.130 119.914 0.050 0.000 2.841 405 V HA 0.523 4.643 4.120 0.001 0.000 0.310 405 V C -1.018 175.027 176.094 -0.083 0.000 1.090 405 V CA -0.885 61.380 62.300 -0.059 0.000 0.930 405 V CB 2.084 33.760 31.823 -0.246 0.000 1.014 405 V HN 0.740 nan 8.190 nan 0.000 0.425 406 R N 4.806 125.262 120.500 -0.074 0.000 2.310 406 R HA 0.849 5.190 4.340 0.001 0.000 0.324 406 R C -1.250 174.995 176.300 -0.092 0.000 0.955 406 R CA -0.304 55.761 56.100 -0.058 0.000 0.830 406 R CB 0.952 31.239 30.300 -0.022 0.000 1.154 406 R HN 0.795 nan 8.270 nan 0.000 0.458 407 L N 0.807 121.964 121.223 -0.109 0.000 2.479 407 L HA 0.714 5.054 4.340 0.001 0.000 0.255 407 L C -0.682 176.143 176.870 -0.073 0.000 1.026 407 L CA -1.210 53.567 54.840 -0.106 0.000 0.842 407 L CB 2.060 44.015 42.059 -0.172 0.000 1.444 407 L HN 0.684 nan 8.230 nan 0.000 0.409 408 S N 0.005 115.674 115.700 -0.053 0.000 2.572 408 S HA 0.289 4.759 4.470 0.001 0.000 0.279 408 S C 0.918 175.494 174.600 -0.040 0.000 1.341 408 S CA -0.383 57.794 58.200 -0.038 0.000 1.043 408 S CB 1.215 64.399 63.200 -0.027 0.000 0.887 408 S HN 0.841 nan 8.310 nan 0.000 0.516 409 R N 1.379 121.859 120.500 -0.032 0.000 2.133 409 R HA -0.204 4.137 4.340 0.001 0.000 0.247 409 R C 2.027 178.309 176.300 -0.029 0.000 1.151 409 R CA 2.283 58.364 56.100 -0.031 0.000 0.971 409 R CB -0.489 29.797 30.300 -0.024 0.000 0.866 409 R HN 0.789 nan 8.270 nan 0.000 0.447 410 E N 0.386 120.571 120.200 -0.025 0.000 2.077 410 E HA -0.178 4.172 4.350 0.001 0.000 0.193 410 E C 1.747 178.339 176.600 -0.014 0.000 0.989 410 E CA 1.304 57.692 56.400 -0.019 0.000 0.800 410 E CB -0.024 29.667 29.700 -0.016 0.000 0.746 410 E HN 0.423 nan 8.360 nan 0.000 0.452 411 E N 0.361 120.552 120.200 -0.016 0.000 2.204 411 E HA -0.116 4.234 4.350 0.001 0.000 0.194 411 E C 2.053 178.657 176.600 0.007 0.000 0.989 411 E CA 0.697 57.096 56.400 -0.002 0.000 0.824 411 E CB 0.039 29.732 29.700 -0.012 0.000 0.756 411 E HN 0.061 nan 8.360 nan 0.000 0.477 412 V N 1.619 121.517 119.914 -0.028 0.000 2.250 412 V HA -0.261 3.860 4.120 0.001 0.000 0.250 412 V C -0.694 175.398 176.094 -0.003 0.000 1.060 412 V CA 2.309 64.587 62.300 -0.036 0.000 1.030 412 V CB -1.553 30.235 31.823 -0.059 0.000 0.643 412 V HN 0.217 nan 8.190 nan 0.000 0.445 413 P HA -0.137 nan 4.420 nan 0.000 0.215 413 P C 1.739 179.042 177.300 0.004 0.000 1.157 413 P CA 2.018 65.115 63.100 -0.005 0.000 0.874 413 P CB -0.399 31.297 31.700 -0.006 0.000 0.790 414 G N -1.411 107.400 108.800 0.017 0.000 2.421 414 G HA2 -0.315 3.645 3.960 0.001 0.000 0.216 414 G HA3 -0.315 3.645 3.960 0.001 0.000 0.216 414 G C 1.596 176.511 174.900 0.025 0.000 1.171 414 G CA 0.771 45.883 45.100 0.020 0.000 0.775 414 G HN 0.225 nan 8.290 nan 0.000 0.543 415 Y N 1.195 121.447 120.300 -0.080 0.000 2.097 415 Y HA -0.137 4.414 4.550 0.001 0.000 0.282 415 Y C 2.665 178.471 175.900 -0.156 0.000 1.152 415 Y CA 1.707 59.744 58.100 -0.105 0.000 1.136 415 Y CB -0.288 38.093 38.460 -0.132 0.000 0.975 415 Y HN 0.115 nan 8.280 nan 0.000 0.498 416 L N -0.565 120.622 121.223 -0.060 0.000 2.012 416 L HA -0.272 4.068 4.340 0.001 0.000 0.210 416 L C 2.522 179.326 176.870 -0.112 0.000 1.073 416 L CA 1.435 56.154 54.840 -0.202 0.000 0.748 416 L CB -0.763 41.205 42.059 -0.152 0.000 0.891 416 L HN 0.314 nan 8.230 nan 0.000 0.431 417 L N -0.291 120.894 121.223 -0.063 0.000 2.017 417 L HA -0.253 4.087 4.340 0.001 0.000 0.208 417 L C 2.780 179.622 176.870 -0.048 0.000 1.073 417 L CA 1.542 56.361 54.840 -0.034 0.000 0.745 417 L CB -0.443 41.605 42.059 -0.019 0.000 0.894 417 L HN 0.414 nan 8.230 nan 0.000 0.432 418 Q N -0.204 119.546 119.800 -0.083 0.000 2.297 418 Q HA -0.074 4.266 4.340 0.001 0.000 0.204 418 Q C 1.770 177.707 176.000 -0.105 0.000 0.962 418 Q CA 1.520 57.272 55.803 -0.085 0.000 0.879 418 Q CB -0.460 28.223 28.738 -0.091 0.000 0.947 418 Q HN 0.335 nan 8.270 nan 0.000 0.462 419 A N -0.142 122.582 122.820 -0.159 0.000 2.218 419 A HA 0.314 4.635 4.320 0.001 0.000 0.209 419 A C 1.502 179.111 177.584 0.042 0.000 1.168 419 A CA 0.359 52.336 52.037 -0.101 0.000 0.804 419 A CB 0.048 18.924 19.000 -0.207 0.000 0.834 419 A HN 0.380 nan 8.150 nan 0.000 0.482 420 L N -2.223 119.024 121.223 0.039 0.000 3.128 420 L HA 0.291 4.631 4.340 0.001 0.000 0.277 420 L C 1.237 178.128 176.870 0.034 0.000 1.171 420 L CA 0.064 54.947 54.840 0.070 0.000 1.008 420 L CB 0.636 42.769 42.059 0.123 0.000 1.442 420 L HN 0.357 nan 8.230 nan 0.000 0.584 421 G N 0.000 108.808 108.800 0.013 0.000 5.446 421 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 421 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 421 G CA 0.000 45.105 45.100 0.009 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925