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 3dtg_1_B DATA FIRST_RESID 6 DATA SEQUENCE LEFTVSANTN PATDAVRESI LANPGFGKYY TDHMVSIDYT VDEGWHNAQV DATA SEQUENCE IPYGPIQLDP SAIVLHYGQE IFEGLKAYRW ADGSIVSFRP EANAARLQSS DATA SEQUENCE ARRLAIPELP EEVFIESLRQ LIAVDEKWVP PAGGEESLYL RPFVIATEPG DATA SEQUENCE LGVRPSNEYR YLLIASPAGA YFKGGIKPVS VWLSHEYVRA SPGGTGAAKF DATA SEQUENCE GGNYAASLLA QAQAAEMGCD QVVWLDAIER RYVEEMGGMN LFFVFGSGGS DATA SEQUENCE ARLVTPELSG SLLPGITRDS LLQLATDAGF AVEERKIDVD EWQKKAGAGE DATA SEQUENCE ITEVFACGTA AVITPVSHVK HHDGEFTIAD GQPGEITMAL RDTLTGIQRG DATA SEQUENCE TFADTHGWMA RLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.882 176.870 0.021 0.000 1.165 6 L CA 0.000 54.831 54.840 -0.014 0.000 0.813 6 L CB 0.000 41.989 42.059 -0.116 0.000 0.961 7 E N 2.276 122.462 120.200 -0.024 0.000 2.175 7 E HA 0.487 4.854 4.350 0.028 0.000 0.278 7 E C -1.256 175.333 176.600 -0.017 0.000 0.969 7 E CA -0.406 56.032 56.400 0.063 0.000 0.796 7 E CB 1.916 31.646 29.700 0.049 0.000 1.104 7 E HN 0.151 nan 8.360 nan 0.000 0.395 8 F N 0.987 120.944 119.950 0.011 0.000 2.404 8 F HA 0.232 4.775 4.527 0.028 0.000 0.339 8 F C 1.155 176.960 175.800 0.008 0.000 1.105 8 F CA -0.590 57.416 58.000 0.009 0.000 1.087 8 F CB 1.311 40.310 39.000 -0.001 0.000 1.143 8 F HN 0.135 nan 8.300 nan 0.000 0.491 9 T N -0.133 114.515 114.554 0.157 0.000 2.895 9 T HA 0.795 5.162 4.350 0.028 0.000 0.283 9 T C -0.824 173.940 174.700 0.107 0.000 1.014 9 T CA -0.809 61.351 62.100 0.101 0.000 1.037 9 T CB 1.585 70.486 68.868 0.056 0.000 1.006 9 T HN 0.303 nan 8.240 nan 0.000 0.468 10 V N 2.239 122.198 119.914 0.075 0.000 2.487 10 V HA 0.553 4.690 4.120 0.028 0.000 0.298 10 V C -0.186 175.945 176.094 0.062 0.000 1.028 10 V CA -0.804 61.532 62.300 0.060 0.000 0.860 10 V CB 1.955 33.791 31.823 0.020 0.000 0.991 10 V HN 1.085 nan 8.190 nan 0.000 0.427 11 S N 3.903 119.654 115.700 0.086 0.000 2.577 11 S HA 0.629 5.116 4.470 0.028 0.000 0.294 11 S C 0.380 175.074 174.600 0.157 0.000 1.161 11 S CA -0.384 57.873 58.200 0.094 0.000 1.143 11 S CB 1.232 64.478 63.200 0.077 0.000 0.991 11 S HN 1.034 nan 8.310 nan 0.000 0.475 12 A N 3.149 126.062 122.820 0.155 0.000 2.520 12 A HA 0.192 4.529 4.320 0.028 0.000 0.235 12 A C 0.615 178.343 177.584 0.240 0.000 1.065 12 A CA -0.214 51.987 52.037 0.273 0.000 0.764 12 A CB 0.056 19.158 19.000 0.171 0.000 1.002 12 A HN 0.675 nan 8.150 nan 0.000 0.502 13 N N 1.063 119.925 118.700 0.270 0.000 2.411 13 N HA 0.090 4.847 4.740 0.028 0.000 0.259 13 N C 0.701 176.245 175.510 0.055 0.000 1.103 13 N CA 0.297 53.343 53.050 -0.007 0.000 0.954 13 N CB 0.756 39.065 38.487 -0.296 0.000 1.085 13 N HN 0.522 nan 8.380 nan 0.000 0.485 14 T N 2.178 116.758 114.554 0.043 0.000 3.088 14 T HA -0.002 4.365 4.350 0.028 0.000 0.259 14 T C 0.829 175.552 174.700 0.037 0.000 1.122 14 T CA 0.600 62.727 62.100 0.045 0.000 1.095 14 T CB -0.132 68.759 68.868 0.037 0.000 0.930 14 T HN 0.608 nan 8.240 nan 0.000 0.508 15 N N 1.718 120.435 118.700 0.029 0.000 2.696 15 N HA 0.170 4.927 4.740 0.028 0.000 0.308 15 N C -2.812 172.722 175.510 0.039 0.000 1.915 15 N CA -1.390 51.679 53.050 0.032 0.000 0.906 15 N CB 1.106 39.609 38.487 0.027 0.000 1.284 15 N HN 0.166 nan 8.380 nan 0.000 0.488 16 P HA 0.147 nan 4.420 nan 0.000 0.274 16 P C -0.455 176.912 177.300 0.111 0.000 1.246 16 P CA -0.261 62.894 63.100 0.090 0.000 0.795 16 P CB 0.963 32.738 31.700 0.125 0.000 1.006 17 A N 1.738 124.669 122.820 0.186 0.000 2.520 17 A HA 0.318 4.655 4.320 0.028 0.000 0.245 17 A C 1.042 178.662 177.584 0.060 0.000 1.072 17 A CA 0.043 52.173 52.037 0.155 0.000 0.761 17 A CB -0.965 18.212 19.000 0.296 0.000 1.004 17 A HN 0.667 nan 8.150 nan 0.000 0.499 18 T N 0.747 115.312 114.554 0.020 0.000 2.791 18 T HA 0.058 4.425 4.350 0.028 0.000 0.323 18 T C 0.559 175.217 174.700 -0.069 0.000 1.082 18 T CA 0.320 62.410 62.100 -0.016 0.000 1.084 18 T CB 0.380 69.238 68.868 -0.016 0.000 0.992 18 T HN 0.605 nan 8.240 nan 0.000 0.547 19 D N 1.029 121.382 120.400 -0.079 0.000 2.144 19 D HA -0.092 4.565 4.640 0.028 0.000 0.199 19 D C 2.368 178.590 176.300 -0.130 0.000 0.984 19 D CA 1.522 55.448 54.000 -0.123 0.000 0.834 19 D CB -0.607 40.138 40.800 -0.093 0.000 0.955 19 D HN 0.746 nan 8.370 nan 0.000 0.465 20 A N 0.961 123.727 122.820 -0.090 0.000 1.883 20 A HA -0.156 4.181 4.320 0.028 0.000 0.217 20 A C 2.599 180.119 177.584 -0.106 0.000 1.186 20 A CA 1.411 53.397 52.037 -0.084 0.000 0.624 20 A CB -0.806 18.161 19.000 -0.055 0.000 0.822 20 A HN 0.145 nan 8.150 nan 0.000 0.444 21 V N -0.079 119.777 119.914 -0.097 0.000 2.307 21 V HA -0.229 3.908 4.120 0.028 0.000 0.245 21 V C 2.646 178.628 176.094 -0.188 0.000 1.045 21 V CA 2.212 64.450 62.300 -0.104 0.000 1.024 21 V CB -0.837 30.962 31.823 -0.039 0.000 0.651 21 V HN 0.660 nan 8.190 nan 0.000 0.449 22 R N 0.143 120.483 120.500 -0.267 0.000 2.091 22 R HA -0.209 4.147 4.340 0.028 0.000 0.238 22 R C 2.282 178.313 176.300 -0.448 0.000 1.136 22 R CA 2.054 57.821 56.100 -0.556 0.000 0.959 22 R CB -0.183 29.614 30.300 -0.839 0.000 0.856 22 R HN 0.644 nan 8.270 nan 0.000 0.437 23 E N -0.058 119.957 120.200 -0.307 0.000 2.072 23 E HA -0.154 4.213 4.350 0.028 0.000 0.191 23 E C 2.026 178.513 176.600 -0.188 0.000 0.985 23 E CA 1.576 57.840 56.400 -0.226 0.000 0.801 23 E CB -0.014 29.588 29.700 -0.164 0.000 0.750 23 E HN 0.470 nan 8.360 nan 0.000 0.452 24 S N 0.946 116.538 115.700 -0.180 0.000 2.382 24 S HA -0.141 4.346 4.470 0.028 0.000 0.228 24 S C 2.071 176.543 174.600 -0.214 0.000 1.027 24 S CA 0.712 58.817 58.200 -0.158 0.000 0.991 24 S CB -0.432 62.689 63.200 -0.132 0.000 0.823 24 S HN 0.160 nan 8.310 nan 0.000 0.469 25 I N 1.431 121.813 120.570 -0.315 0.000 2.202 25 I HA -0.106 4.081 4.170 0.028 0.000 0.242 25 I C 2.351 178.321 176.117 -0.244 0.000 1.091 25 I CA 1.166 62.185 61.300 -0.468 0.000 1.368 25 I CB -0.390 37.283 38.000 -0.545 0.000 1.058 25 I HN 0.259 nan 8.210 nan 0.000 0.410 26 L N 0.522 121.635 121.223 -0.183 0.000 2.265 26 L HA -0.166 4.191 4.340 0.028 0.000 0.215 26 L C 2.613 179.443 176.870 -0.066 0.000 1.117 26 L CA 0.930 55.713 54.840 -0.096 0.000 0.782 26 L CB -0.597 41.389 42.059 -0.122 0.000 0.914 26 L HN 0.248 nan 8.230 nan 0.000 0.441 27 A N -0.636 122.132 122.820 -0.086 0.000 2.119 27 A HA -0.076 4.261 4.320 0.028 0.000 0.216 27 A C 0.881 178.446 177.584 -0.032 0.000 1.152 27 A CA 0.984 52.988 52.037 -0.054 0.000 0.708 27 A CB -0.175 18.787 19.000 -0.063 0.000 0.805 27 A HN 0.458 nan 8.150 nan 0.000 0.460 28 N N -1.427 117.251 118.700 -0.036 0.000 2.884 28 N HA 0.154 4.910 4.740 0.028 0.000 0.211 28 N C -2.405 173.134 175.510 0.049 0.000 1.442 28 N CA -0.689 52.365 53.050 0.007 0.000 0.757 28 N CB 1.147 39.639 38.487 0.008 0.000 1.461 28 N HN -0.025 nan 8.380 nan 0.000 0.557 29 P HA 0.207 nan 4.420 nan 0.000 0.226 29 P C 0.945 178.367 177.300 0.203 0.000 1.161 29 P CA 1.110 64.314 63.100 0.172 0.000 0.804 29 P CB 0.450 32.214 31.700 0.106 0.000 0.829 30 G N 0.946 109.813 108.800 0.112 0.000 2.550 30 G HA2 -0.268 3.709 3.960 0.028 0.000 0.277 30 G HA3 -0.268 3.709 3.960 0.028 0.000 0.277 30 G C -0.926 174.050 174.900 0.128 0.000 1.190 30 G CA 0.104 45.246 45.100 0.070 0.000 0.971 30 G HN 0.433 nan 8.290 nan 0.000 0.559 31 F N 1.050 120.939 119.950 -0.103 0.000 2.573 31 F HA 0.554 5.097 4.527 0.027 0.000 0.316 31 F C 0.849 176.552 175.800 -0.163 0.000 1.148 31 F CA 0.848 58.775 58.000 -0.120 0.000 0.940 31 F CB 1.549 40.478 39.000 -0.118 0.000 1.214 31 F HN 2.139 nan 8.300 nan 0.000 0.448 32 G N 4.715 112.984 108.800 -0.885 0.000 2.296 32 G HA2 -0.377 3.600 3.960 0.028 0.000 0.282 32 G HA3 -0.377 3.600 3.960 0.028 0.000 0.282 32 G C 0.937 175.566 174.900 -0.452 0.000 1.014 32 G CA 1.021 45.740 45.100 -0.635 0.000 0.812 32 G HN 0.805 nan 8.290 nan 0.000 0.508 33 K N -1.442 118.631 120.400 -0.545 0.000 2.262 33 K HA 0.225 4.562 4.320 0.028 0.000 0.200 33 K C 0.308 176.287 176.600 -1.035 0.000 1.058 33 K CA 0.221 56.106 56.287 -0.670 0.000 0.974 33 K CB 0.342 32.434 32.500 -0.681 0.000 0.910 33 K HN 0.396 nan 8.250 nan 0.000 0.484 34 Y N -0.549 119.303 120.300 -0.746 0.000 2.487 34 Y HA 0.357 4.925 4.550 0.029 0.000 0.337 34 Y C -0.695 174.486 175.900 -1.198 0.000 1.076 34 Y CA -1.075 56.562 58.100 -0.771 0.000 1.115 34 Y CB 1.247 39.529 38.460 -0.297 0.000 1.235 34 Y HN -0.103 nan 8.280 nan 0.000 0.468 35 Y N -0.773 119.327 120.300 -0.334 0.000 2.536 35 Y HA 0.448 5.015 4.550 0.028 0.000 0.347 35 Y C 0.507 175.812 175.900 -0.993 0.000 1.000 35 Y CA -1.470 56.230 58.100 -0.667 0.000 1.051 35 Y CB 1.621 39.416 38.460 -1.108 0.000 1.259 35 Y HN 0.655 nan 8.280 nan 0.000 0.468 36 T N -2.875 111.120 114.554 -0.932 0.000 2.698 36 T HA 0.023 4.390 4.350 0.028 0.000 0.295 36 T C 0.572 174.734 174.700 -0.897 0.000 1.007 36 T CA -0.286 60.864 62.100 -1.583 0.000 0.980 36 T CB 0.515 68.733 68.868 -1.083 0.000 1.036 36 T HN 0.620 nan 8.240 nan 0.000 0.526 37 D N -0.001 120.017 120.400 -0.636 0.000 2.269 37 D HA 0.039 4.696 4.640 0.028 0.000 0.208 37 D C 0.473 176.562 176.300 -0.352 0.000 0.963 37 D CA 1.298 55.152 54.000 -0.242 0.000 0.864 37 D CB -0.049 40.765 40.800 0.023 0.000 0.936 37 D HN 0.649 nan 8.370 nan 0.000 0.505 38 H N -1.461 117.591 119.070 -0.029 0.000 2.869 38 H HA 0.602 5.175 4.556 0.028 0.000 0.342 38 H C 0.063 175.425 175.328 0.058 0.000 1.250 38 H CA -0.917 55.154 56.048 0.038 0.000 1.217 38 H CB 1.694 31.471 29.762 0.024 0.000 1.917 38 H HN -0.197 nan 8.280 nan 0.000 0.586 39 M N -0.756 118.951 119.600 0.178 0.000 2.578 39 M HA 0.628 5.125 4.480 0.028 0.000 0.276 39 M C -1.921 174.406 176.300 0.046 0.000 1.245 39 M CA -1.085 54.266 55.300 0.085 0.000 0.871 39 M CB 2.010 34.627 32.600 0.028 0.000 1.722 39 M HN 0.254 nan 8.290 nan 0.000 0.473 40 V N 1.402 121.316 119.914 -0.000 0.000 2.532 40 V HA 0.741 4.878 4.120 0.028 0.000 0.295 40 V C -0.278 175.801 176.094 -0.025 0.000 1.041 40 V CA -0.313 62.013 62.300 0.043 0.000 0.926 40 V CB 1.613 33.492 31.823 0.094 0.000 0.992 40 V HN 0.880 nan 8.190 nan 0.000 0.457 41 S N 4.666 120.392 115.700 0.044 0.000 2.571 41 S HA 0.783 5.270 4.470 0.028 0.000 0.284 41 S C -1.337 173.298 174.600 0.059 0.000 1.128 41 S CA -0.573 57.626 58.200 -0.001 0.000 0.970 41 S CB 0.840 64.017 63.200 -0.037 0.000 1.039 41 S HN 0.465 nan 8.310 nan 0.000 0.485 42 I N 3.874 124.523 120.570 0.131 0.000 2.534 42 I HA 0.463 4.650 4.170 0.028 0.000 0.288 42 I C -0.645 175.632 176.117 0.266 0.000 1.077 42 I CA -0.692 60.699 61.300 0.153 0.000 1.051 42 I CB 1.906 40.018 38.000 0.188 0.000 1.234 42 I HN 0.586 nan 8.210 nan 0.000 0.425 43 D N 4.311 124.741 120.400 0.049 0.000 2.229 43 D HA 0.395 5.051 4.640 0.028 0.000 0.249 43 D C -1.154 175.145 176.300 -0.003 0.000 1.027 43 D CA 0.028 54.014 54.000 -0.023 0.000 0.923 43 D CB 2.521 43.148 40.800 -0.289 0.000 1.174 43 D HN 0.431 nan 8.370 nan 0.000 0.443 44 Y N 0.407 120.618 120.300 -0.148 0.000 2.421 44 Y HA 0.366 4.933 4.550 0.029 0.000 0.339 44 Y C -0.763 175.085 175.900 -0.087 0.000 0.996 44 Y CA -0.456 57.440 58.100 -0.340 0.000 1.046 44 Y CB 1.577 39.379 38.460 -1.096 0.000 1.226 44 Y HN 0.381 nan 8.280 nan 0.000 0.445 45 T N 1.154 115.383 114.554 -0.542 0.000 2.883 45 T HA 0.422 4.789 4.350 0.028 0.000 0.296 45 T C 0.224 174.526 174.700 -0.663 0.000 1.117 45 T CA -0.627 61.286 62.100 -0.312 0.000 1.006 45 T CB 1.189 69.969 68.868 -0.148 0.000 1.191 45 T HN 0.352 nan 8.240 nan 0.000 0.508 46 V N 1.513 121.269 119.914 -0.263 0.000 2.307 46 V HA -0.111 4.026 4.120 0.028 0.000 0.245 46 V C 2.577 178.530 176.094 -0.235 0.000 1.045 46 V CA 2.369 64.554 62.300 -0.191 0.000 1.024 46 V CB -0.861 30.947 31.823 -0.024 0.000 0.651 46 V HN 1.048 nan 8.190 nan 0.000 0.449 47 D N -0.059 120.216 120.400 -0.209 0.000 2.269 47 D HA -0.164 4.493 4.640 0.028 0.000 0.208 47 D C 1.661 177.810 176.300 -0.251 0.000 0.963 47 D CA 1.125 55.012 54.000 -0.188 0.000 0.864 47 D CB -0.223 40.489 40.800 -0.146 0.000 0.936 47 D HN 0.554 nan 8.370 nan 0.000 0.505 48 E N -0.184 119.790 120.200 -0.376 0.000 2.511 48 E HA 0.303 4.670 4.350 0.028 0.000 0.209 48 E C 1.184 177.548 176.600 -0.393 0.000 0.986 48 E CA 0.159 56.286 56.400 -0.456 0.000 0.974 48 E CB 0.903 30.084 29.700 -0.865 0.000 1.030 48 E HN 0.326 nan 8.360 nan 0.000 0.490 49 G N 1.842 110.309 108.800 -0.556 0.000 2.564 49 G HA2 -0.310 3.667 3.960 0.028 0.000 0.273 49 G HA3 -0.310 3.667 3.960 0.028 0.000 0.273 49 G C -0.756 173.879 174.900 -0.442 0.000 1.242 49 G CA -0.010 44.694 45.100 -0.661 0.000 0.951 49 G HN 0.277 nan 8.290 nan 0.000 0.564 50 W N 2.950 124.283 121.300 0.054 0.000 2.311 50 W HA 0.650 5.327 4.660 0.027 0.000 0.310 50 W C 0.995 177.590 176.519 0.127 0.000 1.274 50 W CA 0.645 58.076 57.345 0.143 0.000 1.215 50 W CB 0.638 30.163 29.460 0.108 0.000 1.227 50 W HN 0.905 nan 8.180 nan 0.000 0.523 51 H N 0.533 119.697 119.070 0.156 0.000 2.883 51 H HA 0.222 4.795 4.556 0.028 0.000 0.277 51 H C -0.228 175.106 175.328 0.010 0.000 1.451 51 H CA -1.214 54.852 56.048 0.029 0.000 1.157 51 H CB 0.296 30.041 29.762 -0.028 0.000 1.851 51 H HN 0.367 nan 8.280 nan 0.000 0.566 52 N N -0.683 117.966 118.700 -0.085 0.000 2.725 52 N HA -0.167 4.590 4.740 0.028 0.000 0.251 52 N C -0.956 174.455 175.510 -0.165 0.000 1.031 52 N CA 0.823 53.794 53.050 -0.132 0.000 0.720 52 N CB -1.248 37.121 38.487 -0.197 0.000 0.930 52 N HN 0.946 nan 8.380 nan 0.000 0.543 53 A N 1.084 123.757 122.820 -0.245 0.000 2.450 53 A HA 0.506 4.842 4.320 0.028 0.000 0.255 53 A C 0.363 177.806 177.584 -0.235 0.000 1.096 53 A CA 0.444 52.224 52.037 -0.427 0.000 0.778 53 A CB 0.370 18.693 19.000 -1.129 0.000 1.031 53 A HN 0.574 nan 8.150 nan 0.000 0.494 54 Q N 0.719 120.510 119.800 -0.015 0.000 2.522 54 Q HA 0.626 4.983 4.340 0.028 0.000 0.285 54 Q C -1.684 174.431 176.000 0.192 0.000 0.982 54 Q CA -1.042 54.833 55.803 0.120 0.000 0.805 54 Q CB 1.756 30.523 28.738 0.048 0.000 1.457 54 Q HN 0.314 nan 8.270 nan 0.000 0.394 55 V N 3.072 123.090 119.914 0.173 0.000 2.370 55 V HA 0.554 4.691 4.120 0.028 0.000 0.283 55 V C -0.142 176.032 176.094 0.132 0.000 1.023 55 V CA -0.485 61.893 62.300 0.130 0.000 0.857 55 V CB 0.997 32.855 31.823 0.058 0.000 0.985 55 V HN 0.707 nan 8.190 nan 0.000 0.443 56 I N 3.471 124.126 120.570 0.143 0.000 3.145 56 I HA 0.765 4.952 4.170 0.028 0.000 0.313 56 I C -3.046 173.160 176.117 0.149 0.000 1.122 56 I CA -3.103 58.279 61.300 0.137 0.000 0.987 56 I CB 1.813 39.844 38.000 0.051 0.000 1.236 56 I HN 0.271 nan 8.210 nan 0.000 0.453 57 P HA 0.093 nan 4.420 nan 0.000 0.268 57 P C -1.011 176.263 177.300 -0.043 0.000 1.205 57 P CA 0.371 63.419 63.100 -0.087 0.000 0.771 57 P CB 0.055 31.714 31.700 -0.068 0.000 0.858 58 Y N 2.908 123.112 120.300 -0.161 0.000 2.632 58 Y HA 0.382 4.948 4.550 0.028 0.000 0.329 58 Y C 0.829 176.675 175.900 -0.089 0.000 1.174 58 Y CA 1.501 59.532 58.100 -0.115 0.000 1.469 58 Y CB -0.148 38.232 38.460 -0.132 0.000 1.242 58 Y HN 0.579 nan 8.280 nan 0.000 0.540 59 G N 5.428 113.975 108.800 -0.422 0.000 2.523 59 G HA2 0.391 4.367 3.960 0.028 0.000 0.291 59 G HA3 0.391 4.367 3.960 0.028 0.000 0.291 59 G C -3.176 171.546 174.900 -0.296 0.000 1.450 59 G CA -1.483 43.484 45.100 -0.221 0.000 0.790 59 G HN 0.443 nan 8.290 nan 0.000 0.496 60 P HA 0.353 nan 4.420 nan 0.000 0.266 60 P C 0.116 177.336 177.300 -0.133 0.000 1.195 60 P CA -0.100 62.917 63.100 -0.138 0.000 0.768 60 P CB 0.573 32.230 31.700 -0.072 0.000 0.838 61 I N -1.167 119.330 120.570 -0.123 0.000 2.822 61 I HA 0.507 4.694 4.170 0.028 0.000 0.312 61 I C -0.518 175.561 176.117 -0.063 0.000 1.011 61 I CA -1.103 60.140 61.300 -0.096 0.000 1.105 61 I CB 1.630 39.571 38.000 -0.099 0.000 1.291 61 I HN 0.193 nan 8.210 nan 0.000 0.474 62 Q N 3.677 123.448 119.800 -0.048 0.000 2.309 62 Q HA 0.733 5.090 4.340 0.028 0.000 0.264 62 Q C -1.401 174.584 176.000 -0.026 0.000 1.008 62 Q CA -0.833 54.950 55.803 -0.034 0.000 0.853 62 Q CB 3.061 31.783 28.738 -0.028 0.000 1.314 62 Q HN 0.588 nan 8.270 nan 0.000 0.448 63 L N 0.760 121.971 121.223 -0.019 0.000 2.434 63 L HA 0.390 4.746 4.340 0.028 0.000 0.260 63 L C -0.470 176.397 176.870 -0.005 0.000 0.983 63 L CA -0.940 53.893 54.840 -0.012 0.000 0.820 63 L CB 2.292 44.346 42.059 -0.009 0.000 1.361 63 L HN 0.629 nan 8.230 nan 0.000 0.410 64 D N 2.344 122.744 120.400 -0.000 0.000 2.399 64 D HA 0.094 4.751 4.640 0.028 0.000 0.241 64 D C -1.833 174.481 176.300 0.023 0.000 1.133 64 D CA -1.206 52.798 54.000 0.006 0.000 0.890 64 D CB 2.152 42.953 40.800 0.003 0.000 1.201 64 D HN 0.246 nan 8.370 nan 0.000 0.432 65 P HA -0.108 nan 4.420 nan 0.000 0.219 65 P C 0.918 178.314 177.300 0.160 0.000 1.146 65 P CA 1.036 64.172 63.100 0.061 0.000 0.808 65 P CB 0.141 31.868 31.700 0.045 0.000 0.779 66 S N -1.982 113.776 115.700 0.096 0.000 2.597 66 S HA 0.378 4.865 4.470 0.028 0.000 0.224 66 S C 0.890 175.530 174.600 0.066 0.000 0.955 66 S CA -0.437 57.788 58.200 0.042 0.000 0.933 66 S CB -0.857 62.291 63.200 -0.086 0.000 0.788 66 S HN 0.091 nan 8.310 nan 0.000 0.488 67 A N 1.715 124.592 122.820 0.096 0.000 2.566 67 A HA 0.340 4.677 4.320 0.028 0.000 0.245 67 A C 1.311 178.963 177.584 0.112 0.000 1.056 67 A CA -0.213 51.860 52.037 0.060 0.000 0.757 67 A CB -0.540 18.478 19.000 0.030 0.000 0.979 67 A HN 0.564 nan 8.150 nan 0.000 0.508 68 I N 3.057 123.666 120.570 0.065 0.000 2.236 68 I HA -0.249 3.937 4.170 0.028 0.000 0.249 68 I C 2.301 178.480 176.117 0.104 0.000 1.102 68 I CA 1.725 63.088 61.300 0.106 0.000 1.365 68 I CB -0.267 37.792 38.000 0.098 0.000 1.051 68 I HN 0.612 nan 8.210 nan 0.000 0.420 69 V N 1.374 121.332 119.914 0.074 0.000 2.594 69 V HA -0.210 3.927 4.120 0.028 0.000 0.253 69 V C 1.990 178.096 176.094 0.020 0.000 1.069 69 V CA 1.687 64.037 62.300 0.084 0.000 1.082 69 V CB -0.200 31.677 31.823 0.090 0.000 0.680 69 V HN 0.371 nan 8.190 nan 0.000 0.469 70 L N -0.877 120.320 121.223 -0.042 0.000 2.591 70 L HA 0.125 4.482 4.340 0.028 0.000 0.228 70 L C 1.970 178.531 176.870 -0.515 0.000 1.133 70 L CA 0.423 55.132 54.840 -0.218 0.000 0.880 70 L CB -0.438 41.481 42.059 -0.233 0.000 1.033 70 L HN 0.447 nan 8.230 nan 0.000 0.450 71 H N -2.370 116.553 119.070 -0.246 0.000 2.573 71 H HA 0.153 4.726 4.556 0.027 0.000 0.236 71 H C 0.389 175.389 175.328 -0.547 0.000 0.907 71 H CA 0.407 56.139 56.048 -0.527 0.000 1.058 71 H CB 0.860 30.055 29.762 -0.946 0.000 1.417 71 H HN 0.152 nan 8.280 nan 0.000 0.425 72 Y N 0.732 121.141 120.300 0.181 0.000 2.716 72 Y HA 0.364 4.930 4.550 0.026 0.000 0.260 72 Y C 1.494 177.496 175.900 0.170 0.000 1.141 72 Y CA -0.336 57.854 58.100 0.149 0.000 1.168 72 Y CB 0.446 38.980 38.460 0.123 0.000 1.189 72 Y HN 0.261 nan 8.280 nan 0.000 0.549 73 G N 1.076 110.022 108.800 0.243 0.000 2.439 73 G HA2 -0.392 3.585 3.960 0.028 0.000 0.305 73 G HA3 -0.392 3.585 3.960 0.028 0.000 0.305 73 G C 0.434 175.577 174.900 0.405 0.000 0.966 73 G CA 0.602 45.869 45.100 0.278 0.000 0.890 73 G HN 0.537 nan 8.290 nan 0.000 0.513 74 Q N 0.462 120.455 119.800 0.322 0.000 2.381 74 Q HA 0.419 4.776 4.340 0.028 0.000 0.243 74 Q C 0.482 176.687 176.000 0.341 0.000 1.154 74 Q CA 0.186 56.176 55.803 0.311 0.000 0.899 74 Q CB 0.015 28.902 28.738 0.249 0.000 1.396 74 Q HN 0.790 nan 8.270 nan 0.000 0.485 75 E N 3.957 124.413 120.200 0.428 0.000 2.407 75 E HA 0.624 4.991 4.350 0.028 0.000 0.279 75 E C -1.044 175.858 176.600 0.504 0.000 1.012 75 E CA -0.937 55.714 56.400 0.419 0.000 0.800 75 E CB 1.153 31.069 29.700 0.359 0.000 1.276 75 E HN 0.485 nan 8.360 nan 0.000 0.452 76 I N -1.678 119.165 120.570 0.456 0.000 3.102 76 I HA 0.837 5.024 4.170 0.028 0.000 0.310 76 I C -1.360 175.067 176.117 0.517 0.000 1.246 76 I CA -1.249 60.317 61.300 0.444 0.000 0.979 76 I CB 1.886 40.048 38.000 0.270 0.000 1.267 76 I HN 0.701 nan 8.210 nan 0.000 0.451 77 F N -0.201 119.897 119.950 0.246 0.000 2.745 77 F HA 0.857 5.401 4.527 0.027 0.000 0.316 77 F C -1.272 174.649 175.800 0.202 0.000 1.155 77 F CA -0.578 57.562 58.000 0.234 0.000 0.937 77 F CB 1.384 40.464 39.000 0.133 0.000 1.361 77 F HN 0.499 nan 8.300 nan 0.000 0.472 78 E N -0.329 120.068 120.200 0.328 0.000 2.433 78 E HA 0.691 5.057 4.350 0.028 0.000 0.273 78 E C -1.382 175.401 176.600 0.305 0.000 0.950 78 E CA -0.969 55.547 56.400 0.194 0.000 0.796 78 E CB 2.134 31.997 29.700 0.272 0.000 1.330 78 E HN 1.086 nan 8.360 nan 0.000 0.455 79 G N 1.013 109.938 108.800 0.209 0.000 2.668 79 G HA2 0.590 4.567 3.960 0.028 0.000 0.284 79 G HA3 0.590 4.567 3.960 0.028 0.000 0.284 79 G C -0.992 173.970 174.900 0.103 0.000 1.456 79 G CA -0.474 44.708 45.100 0.136 0.000 1.214 79 G HN 0.333 nan 8.290 nan 0.000 0.568 80 L N -1.271 119.898 121.223 -0.090 0.000 2.503 80 L HA 0.918 5.275 4.340 0.028 0.000 0.248 80 L C -0.952 175.900 176.870 -0.030 0.000 1.126 80 L CA -1.444 53.437 54.840 0.069 0.000 0.929 80 L CB 1.912 44.055 42.059 0.140 0.000 1.544 80 L HN 0.334 nan 8.230 nan 0.000 0.404 81 K N 0.004 120.435 120.400 0.053 0.000 2.443 81 K HA 0.864 5.201 4.320 0.028 0.000 0.251 81 K C -1.391 175.087 176.600 -0.204 0.000 0.972 81 K CA -0.738 55.468 56.287 -0.135 0.000 0.833 81 K CB 2.419 34.716 32.500 -0.339 0.000 1.317 81 K HN 0.817 nan 8.250 nan 0.000 0.441 82 A N 1.766 124.407 122.820 -0.299 0.000 2.331 82 A HA 0.680 5.017 4.320 0.028 0.000 0.320 82 A C -1.636 175.798 177.584 -0.250 0.000 1.138 82 A CA -0.536 51.410 52.037 -0.151 0.000 0.790 82 A CB 0.314 19.278 19.000 -0.061 0.000 1.206 82 A HN 0.590 nan 8.150 nan 0.000 0.470 83 Y N 0.502 120.822 120.300 0.034 0.000 2.446 83 Y HA 0.622 5.189 4.550 0.028 0.000 0.345 83 Y C 0.462 176.382 175.900 0.033 0.000 0.984 83 Y CA -0.762 57.383 58.100 0.075 0.000 1.058 83 Y CB 1.652 40.200 38.460 0.146 0.000 1.220 83 Y HN 0.754 nan 8.280 nan 0.000 0.455 84 R N 2.285 122.951 120.500 0.276 0.000 2.265 84 R HA 0.311 4.668 4.340 0.028 0.000 0.319 84 R C -1.370 175.173 176.300 0.404 0.000 1.006 84 R CA -0.429 55.806 56.100 0.226 0.000 0.880 84 R CB 0.563 30.962 30.300 0.165 0.000 1.077 84 R HN 0.704 nan 8.270 nan 0.000 0.454 85 W N 1.714 123.068 121.300 0.089 0.000 2.390 85 W HA 0.422 5.098 4.660 0.028 0.000 0.362 85 W C 0.979 177.522 176.519 0.039 0.000 1.206 85 W CA -0.910 56.471 57.345 0.059 0.000 1.355 85 W CB 1.016 30.507 29.460 0.052 0.000 1.278 85 W HN 0.778 nan 8.180 nan 0.000 0.653 86 A N 0.642 123.567 122.820 0.174 0.000 1.972 86 A HA -0.216 4.121 4.320 0.028 0.000 0.219 86 A C 1.453 179.096 177.584 0.100 0.000 1.169 86 A CA 2.136 54.221 52.037 0.079 0.000 0.635 86 A CB -0.817 18.175 19.000 -0.014 0.000 0.810 86 A HN 0.608 nan 8.150 nan 0.000 0.446 87 D N -1.970 118.519 120.400 0.147 0.000 2.378 87 D HA 0.238 4.895 4.640 0.028 0.000 0.227 87 D C 1.206 177.582 176.300 0.127 0.000 1.012 87 D CA 1.047 55.124 54.000 0.129 0.000 0.905 87 D CB -0.653 40.240 40.800 0.156 0.000 0.895 87 D HN 0.798 nan 8.370 nan 0.000 0.532 88 G N -0.069 108.817 108.800 0.143 0.000 2.217 88 G HA2 -0.297 3.680 3.960 0.028 0.000 0.246 88 G HA3 -0.297 3.680 3.960 0.028 0.000 0.246 88 G C 0.471 175.434 174.900 0.105 0.000 0.990 88 G CA 0.420 45.585 45.100 0.108 0.000 0.627 88 G HN 0.849 nan 8.290 nan 0.000 0.522 89 S N 0.440 116.219 115.700 0.133 0.000 2.600 89 S HA 0.712 5.199 4.470 0.028 0.000 0.265 89 S C 0.200 174.812 174.600 0.020 0.000 1.325 89 S CA -0.456 57.783 58.200 0.066 0.000 1.002 89 S CB 1.527 64.761 63.200 0.057 0.000 0.921 89 S HN 0.542 nan 8.310 nan 0.000 0.554 90 I N 2.530 123.074 120.570 -0.044 0.000 2.389 90 I HA 0.448 4.635 4.170 0.028 0.000 0.288 90 I C 0.153 176.180 176.117 -0.151 0.000 0.999 90 I CA -0.664 60.601 61.300 -0.060 0.000 1.129 90 I CB 1.036 39.027 38.000 -0.015 0.000 1.288 90 I HN 0.793 nan 8.210 nan 0.000 0.444 91 V N 2.992 122.762 119.914 -0.240 0.000 3.158 91 V HA 0.894 5.031 4.120 0.028 0.000 0.315 91 V C -0.390 175.706 176.094 0.003 0.000 1.148 91 V CA -0.626 61.506 62.300 -0.280 0.000 1.042 91 V CB 2.108 33.455 31.823 -0.793 0.000 1.101 91 V HN 0.735 nan 8.190 nan 0.000 0.448 92 S N 0.059 115.796 115.700 0.062 0.000 2.564 92 S HA 0.690 5.177 4.470 0.028 0.000 0.274 92 S C -1.494 173.284 174.600 0.296 0.000 1.124 92 S CA -0.464 57.890 58.200 0.257 0.000 0.869 92 S CB 1.545 64.834 63.200 0.147 0.000 1.105 92 S HN 1.057 nan 8.310 nan 0.000 0.472 93 F N 4.775 124.900 119.950 0.291 0.000 2.404 93 F HA 0.514 5.058 4.527 0.028 0.000 0.358 93 F C 1.046 176.920 175.800 0.124 0.000 1.120 93 F CA -0.227 57.891 58.000 0.197 0.000 1.144 93 F CB 0.208 39.340 39.000 0.220 0.000 1.133 93 F HN 0.844 nan 8.300 nan 0.000 0.495 94 R N 4.701 124.912 120.500 -0.482 0.000 3.225 94 R HA -0.176 4.181 4.340 0.028 0.000 0.245 94 R C -2.017 174.196 176.300 -0.145 0.000 0.928 94 R CA 0.551 56.399 56.100 -0.421 0.000 0.632 94 R CB -1.440 28.362 30.300 -0.830 0.000 1.038 94 R HN 0.541 nan 8.270 nan 0.000 0.461 95 P HA -0.162 nan 4.420 nan 0.000 0.220 95 P C 0.604 177.919 177.300 0.024 0.000 1.148 95 P CA 1.205 64.366 63.100 0.101 0.000 0.803 95 P CB 0.274 32.073 31.700 0.164 0.000 0.782 96 E N 0.462 120.644 120.200 -0.030 0.000 2.153 96 E HA -0.093 4.274 4.350 0.028 0.000 0.194 96 E C 2.313 178.820 176.600 -0.154 0.000 0.988 96 E CA 1.482 57.834 56.400 -0.080 0.000 0.811 96 E CB -0.884 28.790 29.700 -0.043 0.000 0.746 96 E HN 0.226 nan 8.360 nan 0.000 0.466 97 A N 0.804 123.538 122.820 -0.143 0.000 1.930 97 A HA -0.192 4.145 4.320 0.028 0.000 0.217 97 A C 1.753 179.225 177.584 -0.186 0.000 1.175 97 A CA 1.689 53.636 52.037 -0.151 0.000 0.627 97 A CB -0.543 18.366 19.000 -0.152 0.000 0.815 97 A HN 0.206 nan 8.150 nan 0.000 0.443 98 N N 0.435 119.017 118.700 -0.197 0.000 2.142 98 N HA -0.005 4.751 4.740 0.028 0.000 0.186 98 N C 1.851 176.999 175.510 -0.603 0.000 1.023 98 N CA 1.351 54.257 53.050 -0.240 0.000 0.852 98 N CB -0.319 38.147 38.487 -0.035 0.000 0.998 98 N HN 0.460 nan 8.380 nan 0.000 0.424 99 A N 0.864 123.097 122.820 -0.978 0.000 1.908 99 A HA -0.031 4.306 4.320 0.028 0.000 0.218 99 A C 2.276 179.530 177.584 -0.550 0.000 1.181 99 A CA 1.816 53.103 52.037 -1.250 0.000 0.627 99 A CB -1.015 17.464 19.000 -0.869 0.000 0.818 99 A HN 0.336 nan 8.150 nan 0.000 0.445 100 A N -0.670 121.941 122.820 -0.348 0.000 1.930 100 A HA -0.115 4.222 4.320 0.028 0.000 0.217 100 A C 2.241 179.721 177.584 -0.175 0.000 1.175 100 A CA 1.635 53.547 52.037 -0.208 0.000 0.627 100 A CB -0.419 18.493 19.000 -0.147 0.000 0.815 100 A HN 0.537 nan 8.150 nan 0.000 0.443 101 R N -0.995 119.395 120.500 -0.184 0.000 2.090 101 R HA -0.038 4.319 4.340 0.028 0.000 0.228 101 R C 1.968 178.198 176.300 -0.117 0.000 1.110 101 R CA 1.210 57.234 56.100 -0.127 0.000 0.973 101 R CB -0.325 29.912 30.300 -0.104 0.000 0.869 101 R HN 0.427 nan 8.270 nan 0.000 0.440 102 L N 1.295 122.426 121.223 -0.155 0.000 2.131 102 L HA -0.178 4.179 4.340 0.028 0.000 0.210 102 L C 1.864 178.692 176.870 -0.069 0.000 1.092 102 L CA 1.756 56.549 54.840 -0.078 0.000 0.759 102 L CB -0.207 41.821 42.059 -0.052 0.000 0.903 102 L HN 0.236 nan 8.230 nan 0.000 0.435 103 Q N -1.727 118.006 119.800 -0.111 0.000 2.123 103 Q HA -0.163 4.194 4.340 0.028 0.000 0.199 103 Q C 2.385 178.346 176.000 -0.065 0.000 0.966 103 Q CA 1.485 57.238 55.803 -0.084 0.000 0.845 103 Q CB -0.243 28.437 28.738 -0.097 0.000 0.907 103 Q HN 0.589 nan 8.270 nan 0.000 0.439 104 S N 0.114 115.772 115.700 -0.070 0.000 2.368 104 S HA -0.116 4.371 4.470 0.028 0.000 0.224 104 S C 2.035 176.606 174.600 -0.048 0.000 1.029 104 S CA 1.369 59.535 58.200 -0.057 0.000 0.988 104 S CB -0.049 63.117 63.200 -0.057 0.000 0.838 104 S HN 0.268 nan 8.310 nan 0.000 0.462 105 S N 1.446 117.121 115.700 -0.042 0.000 2.368 105 S HA 0.095 4.582 4.470 0.028 0.000 0.224 105 S C 2.250 176.835 174.600 -0.025 0.000 1.029 105 S CA 0.953 59.139 58.200 -0.023 0.000 0.988 105 S CB -0.690 62.508 63.200 -0.002 0.000 0.838 105 S HN 0.706 nan 8.310 nan 0.000 0.462 106 A N 2.279 125.085 122.820 -0.023 0.000 1.883 106 A HA -0.158 4.179 4.320 0.028 0.000 0.217 106 A C 2.154 179.701 177.584 -0.062 0.000 1.186 106 A CA 1.426 53.441 52.037 -0.035 0.000 0.624 106 A CB -0.524 18.452 19.000 -0.040 0.000 0.822 106 A HN 0.420 nan 8.150 nan 0.000 0.444 107 R N -1.307 119.158 120.500 -0.058 0.000 2.091 107 R HA -0.147 4.209 4.340 0.028 0.000 0.238 107 R C 2.417 178.679 176.300 -0.065 0.000 1.136 107 R CA 1.612 57.677 56.100 -0.058 0.000 0.959 107 R CB -0.292 29.978 30.300 -0.049 0.000 0.856 107 R HN 0.423 nan 8.270 nan 0.000 0.437 108 R N 0.719 121.176 120.500 -0.071 0.000 2.148 108 R HA -0.023 4.334 4.340 0.028 0.000 0.227 108 R C 1.212 177.433 176.300 -0.132 0.000 1.103 108 R CA 1.130 57.176 56.100 -0.090 0.000 0.983 108 R CB -0.053 30.194 30.300 -0.088 0.000 0.874 108 R HN 0.102 nan 8.270 nan 0.000 0.451 109 L N 0.196 121.338 121.223 -0.136 0.000 2.741 109 L HA 0.384 4.741 4.340 0.028 0.000 0.237 109 L C 0.342 177.169 176.870 -0.071 0.000 1.178 109 L CA 0.520 55.263 54.840 -0.162 0.000 0.973 109 L CB -0.789 41.158 42.059 -0.187 0.000 1.255 109 L HN 0.356 nan 8.230 nan 0.000 0.498 110 A N 0.518 123.299 122.820 -0.064 0.000 2.822 110 A HA -0.233 4.104 4.320 0.028 0.000 0.287 110 A C 0.342 177.895 177.584 -0.050 0.000 1.479 110 A CA 0.776 52.789 52.037 -0.040 0.000 0.779 110 A CB -2.326 16.668 19.000 -0.010 0.000 1.022 110 A HN 0.353 nan 8.150 nan 0.000 0.532 111 I N -0.369 120.126 120.570 -0.127 0.000 2.441 111 I HA 0.394 4.581 4.170 0.028 0.000 0.295 111 I C -2.214 173.670 176.117 -0.387 0.000 0.994 111 I CA -2.755 58.337 61.300 -0.348 0.000 1.144 111 I CB 1.865 39.730 38.000 -0.225 0.000 1.314 111 I HN -0.005 nan 8.210 nan 0.000 0.445 112 P HA 0.037 nan 4.420 nan 0.000 0.264 112 P C -0.907 176.340 177.300 -0.090 0.000 1.193 112 P CA -0.008 62.828 63.100 -0.440 0.000 0.763 112 P CB 0.339 31.409 31.700 -1.050 0.000 0.810 113 E N 1.522 121.735 120.200 0.022 0.000 2.373 113 E HA 0.207 4.573 4.350 0.028 0.000 0.267 113 E C -0.373 176.322 176.600 0.158 0.000 1.032 113 E CA -0.562 55.872 56.400 0.056 0.000 0.889 113 E CB 0.443 30.149 29.700 0.010 0.000 0.984 113 E HN 0.278 nan 8.360 nan 0.000 0.425 114 L N 4.794 125.972 121.223 -0.076 0.000 2.282 114 L HA 0.353 4.710 4.340 0.028 0.000 0.288 114 L C -2.515 174.209 176.870 -0.243 0.000 1.033 114 L CA -2.032 52.558 54.840 -0.416 0.000 0.807 114 L CB 0.928 42.531 42.059 -0.761 0.000 1.209 114 L HN 0.267 nan 8.230 nan 0.000 0.423 115 P HA -0.036 nan 4.420 nan 0.000 0.262 115 P C 0.356 177.604 177.300 -0.087 0.000 1.182 115 P CA 0.225 63.272 63.100 -0.090 0.000 0.761 115 P CB 0.499 32.170 31.700 -0.048 0.000 0.795 116 E N 2.693 122.855 120.200 -0.064 0.000 2.130 116 E HA -0.280 4.087 4.350 0.028 0.000 0.196 116 E C 0.804 177.423 176.600 0.031 0.000 0.998 116 E CA 1.595 57.968 56.400 -0.045 0.000 0.806 116 E CB 0.168 29.828 29.700 -0.067 0.000 0.738 116 E HN 0.448 nan 8.360 nan 0.000 0.459 117 E N -0.014 120.194 120.200 0.014 0.000 2.110 117 E HA -0.140 4.227 4.350 0.028 0.000 0.193 117 E C 2.119 178.747 176.600 0.046 0.000 0.988 117 E CA 1.130 57.550 56.400 0.033 0.000 0.804 117 E CB -0.175 29.540 29.700 0.026 0.000 0.745 117 E HN 0.126 nan 8.360 nan 0.000 0.458 118 V N 0.599 120.521 119.914 0.013 0.000 2.453 118 V HA -0.168 3.969 4.120 0.028 0.000 0.247 118 V C 1.881 177.969 176.094 -0.011 0.000 1.048 118 V CA 1.405 63.709 62.300 0.006 0.000 1.049 118 V CB -0.480 31.255 31.823 -0.147 0.000 0.672 118 V HN 0.201 nan 8.190 nan 0.000 0.457 119 F N 0.882 120.712 119.950 -0.201 0.000 2.046 119 F HA -0.213 4.330 4.527 0.028 0.000 0.297 119 F C 2.250 178.014 175.800 -0.060 0.000 1.123 119 F CA 1.882 59.774 58.000 -0.180 0.000 1.199 119 F CB -0.204 38.695 39.000 -0.168 0.000 0.972 119 F HN 0.012 nan 8.300 nan 0.000 0.474 120 I N 0.507 121.214 120.570 0.229 0.000 2.264 120 I HA -0.258 3.929 4.170 0.028 0.000 0.248 120 I C 2.328 178.415 176.117 -0.051 0.000 1.111 120 I CA 1.543 62.906 61.300 0.106 0.000 1.382 120 I CB -1.538 36.529 38.000 0.112 0.000 1.060 120 I HN 0.265 nan 8.210 nan 0.000 0.418 121 E N 1.436 121.605 120.200 -0.051 0.000 2.077 121 E HA -0.171 4.196 4.350 0.028 0.000 0.193 121 E C 2.360 178.742 176.600 -0.363 0.000 0.989 121 E CA 1.742 58.048 56.400 -0.158 0.000 0.800 121 E CB -0.158 29.522 29.700 -0.034 0.000 0.746 121 E HN 0.539 nan 8.360 nan 0.000 0.452 122 S N -0.015 115.543 115.700 -0.236 0.000 2.382 122 S HA -0.165 4.321 4.470 0.028 0.000 0.228 122 S C 2.101 176.554 174.600 -0.246 0.000 1.027 122 S CA 1.245 59.313 58.200 -0.221 0.000 0.991 122 S CB -0.675 62.589 63.200 0.105 0.000 0.823 122 S HN 0.320 nan 8.310 nan 0.000 0.469 123 L N 0.978 122.052 121.223 -0.248 0.000 2.017 123 L HA -0.092 4.265 4.340 0.028 0.000 0.208 123 L C 3.188 179.958 176.870 -0.166 0.000 1.073 123 L CA 1.713 56.432 54.840 -0.202 0.000 0.745 123 L CB -0.618 41.335 42.059 -0.177 0.000 0.894 123 L HN 0.308 nan 8.230 nan 0.000 0.432 124 R N -0.406 119.987 120.500 -0.178 0.000 2.081 124 R HA -0.153 4.204 4.340 0.028 0.000 0.235 124 R C 2.395 178.578 176.300 -0.195 0.000 1.131 124 R CA 1.032 57.036 56.100 -0.159 0.000 0.960 124 R CB -0.320 29.890 30.300 -0.150 0.000 0.856 124 R HN 0.414 nan 8.270 nan 0.000 0.436 125 Q N 0.664 120.278 119.800 -0.311 0.000 2.084 125 Q HA -0.160 4.197 4.340 0.028 0.000 0.202 125 Q C 2.222 178.101 176.000 -0.201 0.000 0.978 125 Q CA 1.170 56.773 55.803 -0.333 0.000 0.844 125 Q CB -0.318 28.042 28.738 -0.630 0.000 0.898 125 Q HN 0.223 nan 8.270 nan 0.000 0.426 126 L N 0.629 121.753 121.223 -0.165 0.000 2.056 126 L HA -0.110 4.247 4.340 0.028 0.000 0.207 126 L C 1.995 178.826 176.870 -0.065 0.000 1.078 126 L CA 1.303 56.087 54.840 -0.092 0.000 0.749 126 L CB -0.494 41.522 42.059 -0.071 0.000 0.901 126 L HN 0.098 nan 8.230 nan 0.000 0.433 127 I N 0.077 120.606 120.570 -0.069 0.000 2.493 127 I HA -0.187 4.000 4.170 0.028 0.000 0.254 127 I C 2.635 178.734 176.117 -0.029 0.000 1.160 127 I CA 1.216 62.497 61.300 -0.032 0.000 1.445 127 I CB -1.970 36.007 38.000 -0.038 0.000 1.086 127 I HN 0.336 nan 8.210 nan 0.000 0.433 128 A N 1.096 123.877 122.820 -0.066 0.000 1.933 128 A HA -0.153 4.184 4.320 0.028 0.000 0.218 128 A C 2.345 179.894 177.584 -0.059 0.000 1.175 128 A CA 2.405 54.404 52.037 -0.064 0.000 0.628 128 A CB -0.760 18.184 19.000 -0.093 0.000 0.814 128 A HN 0.366 nan 8.150 nan 0.000 0.444 129 V N -4.168 115.691 119.914 -0.091 0.000 3.125 129 V HA 0.157 4.294 4.120 0.028 0.000 0.249 129 V C 0.623 176.729 176.094 0.019 0.000 1.113 129 V CA 1.290 63.513 62.300 -0.127 0.000 1.106 129 V CB -0.122 31.448 31.823 -0.423 0.000 0.768 129 V HN 0.262 nan 8.190 nan 0.000 0.468 130 D N 0.669 121.119 120.400 0.083 0.000 2.501 130 D HA 0.114 4.771 4.640 0.028 0.000 0.226 130 D C 1.745 178.200 176.300 0.259 0.000 1.198 130 D CA 0.126 54.281 54.000 0.259 0.000 0.830 130 D CB 0.359 41.261 40.800 0.169 0.000 1.014 130 D HN 0.503 nan 8.370 nan 0.000 0.496 131 E N 1.890 122.173 120.200 0.139 0.000 2.171 131 E HA -0.243 4.124 4.350 0.028 0.000 0.197 131 E C 1.443 178.109 176.600 0.110 0.000 0.997 131 E CA 1.015 57.476 56.400 0.101 0.000 0.810 131 E CB 0.196 29.926 29.700 0.051 0.000 0.738 131 E HN 0.433 nan 8.360 nan 0.000 0.467 132 K N -1.061 119.401 120.400 0.103 0.000 2.360 132 K HA -0.138 4.199 4.320 0.028 0.000 0.201 132 K C 1.451 177.997 176.600 -0.090 0.000 1.046 132 K CA 1.283 57.558 56.287 -0.020 0.000 0.945 132 K CB -0.497 31.944 32.500 -0.097 0.000 0.750 132 K HN 0.122 nan 8.250 nan 0.000 0.464 133 W N 1.746 123.047 121.300 0.001 0.000 3.290 133 W HA 0.168 4.846 4.660 0.029 0.000 0.287 133 W C -0.199 176.315 176.519 -0.009 0.000 1.288 133 W CA -0.470 56.868 57.345 -0.010 0.000 1.725 133 W CB 0.420 29.876 29.460 -0.007 0.000 1.103 133 W HN -0.252 nan 8.180 nan 0.000 0.670 134 V N 3.128 123.146 119.914 0.174 0.000 2.488 134 V HA 0.141 4.278 4.120 0.028 0.000 0.277 134 V C -1.612 174.531 176.094 0.081 0.000 1.046 134 V CA -1.994 60.375 62.300 0.115 0.000 0.986 134 V CB 0.262 32.138 31.823 0.089 0.000 0.989 134 V HN -0.307 nan 8.190 nan 0.000 0.475 135 P HA 0.143 nan 4.420 nan 0.000 0.270 135 P C -2.538 174.806 177.300 0.073 0.000 1.227 135 P CA -0.755 62.385 63.100 0.066 0.000 0.788 135 P CB -0.200 31.549 31.700 0.081 0.000 0.926 136 P HA 0.122 nan 4.420 nan 0.000 0.272 136 P C -0.550 176.806 177.300 0.093 0.000 1.230 136 P CA 0.102 63.238 63.100 0.061 0.000 0.788 136 P CB 0.298 32.019 31.700 0.035 0.000 0.949 137 A N 1.328 124.207 122.820 0.098 0.000 2.280 137 A HA 0.529 4.866 4.320 0.028 0.000 0.268 137 A C 1.421 179.049 177.584 0.073 0.000 1.111 137 A CA 0.298 52.408 52.037 0.121 0.000 0.814 137 A CB -1.123 17.953 19.000 0.126 0.000 1.093 137 A HN 0.809 nan 8.150 nan 0.000 0.498 138 G N -1.687 107.145 108.800 0.052 0.000 2.184 138 G HA2 0.049 4.026 3.960 0.028 0.000 0.264 138 G HA3 0.049 4.026 3.960 0.028 0.000 0.264 138 G C 0.837 175.751 174.900 0.023 0.000 0.975 138 G CA 0.943 46.049 45.100 0.010 0.000 0.642 138 G HN 1.941 nan 8.290 nan 0.000 0.536 139 G N -0.863 107.973 108.800 0.059 0.000 3.016 139 G HA2 0.649 4.626 3.960 0.028 0.000 0.270 139 G HA3 0.649 4.626 3.960 0.028 0.000 0.270 139 G C 0.565 175.525 174.900 0.099 0.000 1.352 139 G CA 0.507 45.647 45.100 0.066 0.000 1.060 139 G HN 0.418 nan 8.290 nan 0.000 0.538 140 E N -0.329 119.935 120.200 0.106 0.000 2.481 140 E HA 0.108 4.475 4.350 0.028 0.000 0.198 140 E C 0.198 176.897 176.600 0.165 0.000 1.027 140 E CA 0.056 56.539 56.400 0.139 0.000 0.900 140 E CB 0.341 30.118 29.700 0.129 0.000 0.993 140 E HN 0.568 nan 8.360 nan 0.000 0.482 141 E N 1.320 121.606 120.200 0.144 0.000 2.369 141 E HA 0.340 4.707 4.350 0.028 0.000 0.255 141 E C -0.056 176.630 176.600 0.144 0.000 1.172 141 E CA -0.010 56.470 56.400 0.135 0.000 0.932 141 E CB 0.914 30.675 29.700 0.102 0.000 1.040 141 E HN 0.264 nan 8.360 nan 0.000 0.454 142 S N 0.316 116.080 115.700 0.106 0.000 2.703 142 S HA 0.446 4.933 4.470 0.028 0.000 0.273 142 S C -1.823 172.799 174.600 0.037 0.000 1.178 142 S CA -1.013 57.202 58.200 0.024 0.000 0.838 142 S CB 0.698 63.814 63.200 -0.141 0.000 1.178 142 S HN 0.272 nan 8.310 nan 0.000 0.494 143 L N 2.072 123.281 121.223 -0.023 0.000 2.316 143 L HA 0.592 4.949 4.340 0.028 0.000 0.280 143 L C -1.192 175.698 176.870 0.032 0.000 1.006 143 L CA -0.587 54.271 54.840 0.030 0.000 0.836 143 L CB 0.778 42.855 42.059 0.030 0.000 1.221 143 L HN 0.807 nan 8.230 nan 0.000 0.418 144 Y N 5.506 125.778 120.300 -0.046 0.000 2.402 144 Y HA 0.475 5.041 4.550 0.028 0.000 0.333 144 Y C -0.804 175.081 175.900 -0.025 0.000 1.076 144 Y CA -0.206 57.881 58.100 -0.022 0.000 1.299 144 Y CB 0.570 38.995 38.460 -0.058 0.000 1.197 144 Y HN 0.543 nan 8.280 nan 0.000 0.517 145 L N 7.375 128.307 121.223 -0.486 0.000 2.296 145 L HA 0.508 4.865 4.340 0.028 0.000 0.286 145 L C -0.438 176.113 176.870 -0.530 0.000 1.023 145 L CA -1.025 53.601 54.840 -0.357 0.000 0.812 145 L CB 1.406 43.341 42.059 -0.207 0.000 1.223 145 L HN 0.485 nan 8.230 nan 0.000 0.421 146 R N 4.925 125.276 120.500 -0.248 0.000 2.352 146 R HA 0.484 4.841 4.340 0.028 0.000 0.304 146 R C -2.873 173.501 176.300 0.123 0.000 1.104 146 R CA -2.016 54.028 56.100 -0.093 0.000 0.991 146 R CB 0.964 31.237 30.300 -0.045 0.000 1.140 146 R HN 0.172 nan 8.270 nan 0.000 0.540 147 P HA 0.429 nan 4.420 nan 0.000 0.288 147 P C -1.312 176.280 177.300 0.487 0.000 1.267 147 P CA -0.364 62.863 63.100 0.212 0.000 0.815 147 P CB 0.705 32.586 31.700 0.301 0.000 0.989 148 F N -0.700 119.236 119.950 -0.024 0.000 2.693 148 F HA 0.741 5.284 4.527 0.028 0.000 0.309 148 F C -1.901 173.993 175.800 0.157 0.000 1.129 148 F CA -1.398 56.687 58.000 0.142 0.000 0.948 148 F CB 0.983 40.058 39.000 0.126 0.000 1.315 148 F HN -0.033 nan 8.300 nan 0.000 0.447 149 V N 3.199 123.312 119.914 0.332 0.000 2.588 149 V HA 0.648 4.785 4.120 0.028 0.000 0.304 149 V C -0.287 176.005 176.094 0.330 0.000 1.042 149 V CA -0.751 61.727 62.300 0.296 0.000 0.877 149 V CB 1.830 33.878 31.823 0.375 0.000 0.996 149 V HN 0.832 nan 8.190 nan 0.000 0.425 150 I N 1.251 121.989 120.570 0.281 0.000 2.689 150 I HA 0.969 5.155 4.170 0.028 0.000 0.299 150 I C 0.099 176.356 176.117 0.232 0.000 1.059 150 I CA -1.028 60.429 61.300 0.263 0.000 1.055 150 I CB 2.211 40.320 38.000 0.181 0.000 1.243 150 I HN 0.601 nan 8.210 nan 0.000 0.425 151 A N 3.187 126.090 122.820 0.138 0.000 2.354 151 A HA 0.503 4.840 4.320 0.028 0.000 0.281 151 A C 0.880 178.392 177.584 -0.120 0.000 1.174 151 A CA 0.141 52.069 52.037 -0.182 0.000 0.828 151 A CB -0.052 18.866 19.000 -0.138 0.000 1.099 151 A HN 0.935 nan 8.150 nan 0.000 0.516 152 T N -0.381 114.065 114.554 -0.179 0.000 3.010 152 T HA 0.171 4.537 4.350 0.028 0.000 0.257 152 T C 0.472 175.124 174.700 -0.080 0.000 1.020 152 T CA 0.123 62.175 62.100 -0.081 0.000 0.938 152 T CB -0.186 68.659 68.868 -0.039 0.000 1.049 152 T HN 0.706 nan 8.240 nan 0.000 0.522 153 E N 3.816 123.937 120.200 -0.132 0.000 2.376 153 E HA 0.175 4.542 4.350 0.028 0.000 0.266 153 E C -2.205 174.370 176.600 -0.042 0.000 1.009 153 E CA -2.061 54.289 56.400 -0.082 0.000 0.902 153 E CB 0.811 30.451 29.700 -0.101 0.000 0.972 153 E HN 0.241 nan 8.360 nan 0.000 0.439 154 P HA 0.258 nan 4.420 nan 0.000 0.274 154 P C -0.512 176.775 177.300 -0.021 0.000 1.246 154 P CA -0.108 62.980 63.100 -0.019 0.000 0.795 154 P CB 0.942 32.632 31.700 -0.017 0.000 1.006 155 G N 0.262 109.040 108.800 -0.036 0.000 2.957 155 G HA2 -0.041 3.936 3.960 0.028 0.000 0.636 155 G HA3 -0.041 3.936 3.960 0.028 0.000 0.636 155 G C -0.035 174.854 174.900 -0.019 0.000 1.401 155 G CA -0.751 44.334 45.100 -0.024 0.000 0.941 155 G HN 0.384 nan 8.290 nan 0.000 0.610 156 L N 1.444 122.648 121.223 -0.033 0.000 2.591 156 L HA 0.273 4.630 4.340 0.028 0.000 0.228 156 L C 1.895 178.867 176.870 0.170 0.000 1.133 156 L CA 0.587 55.435 54.840 0.013 0.000 0.880 156 L CB -0.052 41.960 42.059 -0.077 0.000 1.033 156 L HN 0.692 nan 8.230 nan 0.000 0.450 157 G N 0.305 109.155 108.800 0.084 0.000 2.483 157 G HA2 0.332 4.309 3.960 0.028 0.000 0.248 157 G HA3 0.332 4.309 3.960 0.028 0.000 0.248 157 G C -0.307 174.571 174.900 -0.037 0.000 1.248 157 G CA -0.286 44.826 45.100 0.021 0.000 0.838 157 G HN -0.109 nan 8.290 nan 0.000 0.566 158 V N 4.747 124.537 119.914 -0.207 0.000 2.389 158 V HA 0.592 4.729 4.120 0.028 0.000 0.264 158 V C 0.350 176.335 176.094 -0.182 0.000 1.049 158 V CA -0.171 61.890 62.300 -0.400 0.000 0.932 158 V CB -0.137 31.376 31.823 -0.516 0.000 1.011 158 V HN 1.055 nan 8.190 nan 0.000 0.475 159 R N 4.806 125.241 120.500 -0.109 0.000 2.828 159 R HA 0.376 4.732 4.340 0.028 0.000 0.280 159 R C -3.644 172.662 176.300 0.010 0.000 1.020 159 R CA -1.665 54.410 56.100 -0.042 0.000 0.855 159 R CB 0.136 30.420 30.300 -0.026 0.000 1.278 159 R HN 0.353 nan 8.270 nan 0.000 0.495 160 P HA 0.104 nan 4.420 nan 0.000 0.265 160 P C -0.198 177.150 177.300 0.081 0.000 1.193 160 P CA 0.079 63.229 63.100 0.084 0.000 0.765 160 P CB 0.622 32.372 31.700 0.084 0.000 0.823 161 S N 2.069 117.805 115.700 0.060 0.000 2.584 161 S HA 0.079 4.565 4.470 0.028 0.000 0.270 161 S C 1.009 175.589 174.600 -0.034 0.000 1.346 161 S CA -0.197 57.921 58.200 -0.138 0.000 1.018 161 S CB 0.009 62.874 63.200 -0.558 0.000 0.899 161 S HN 0.328 nan 8.310 nan 0.000 0.542 162 N N 1.533 120.202 118.700 -0.051 0.000 2.184 162 N HA 0.207 4.964 4.740 0.028 0.000 0.206 162 N C -0.885 174.715 175.510 0.151 0.000 1.151 162 N CA 0.144 53.268 53.050 0.124 0.000 0.878 162 N CB 0.593 39.127 38.487 0.079 0.000 1.014 162 N HN 0.648 nan 8.380 nan 0.000 0.512 163 E N 0.030 120.169 120.200 -0.103 0.000 2.256 163 E HA 0.394 4.760 4.350 0.028 0.000 0.268 163 E C -1.262 175.163 176.600 -0.293 0.000 0.877 163 E CA -0.519 55.868 56.400 -0.022 0.000 0.757 163 E CB 1.913 31.585 29.700 -0.045 0.000 1.183 163 E HN 0.007 nan 8.360 nan 0.000 0.418 164 Y N 0.284 120.623 120.300 0.065 0.000 2.638 164 Y HA 0.534 5.100 4.550 0.028 0.000 0.339 164 Y C -0.328 175.635 175.900 0.104 0.000 1.084 164 Y CA -1.068 57.056 58.100 0.039 0.000 1.068 164 Y CB 2.185 40.606 38.460 -0.063 0.000 1.294 164 Y HN 0.311 nan 8.280 nan 0.000 0.480 165 R N 1.261 121.959 120.500 0.330 0.000 2.538 165 R HA 0.382 4.739 4.340 0.028 0.000 0.292 165 R C -2.228 174.230 176.300 0.265 0.000 1.008 165 R CA -0.767 55.489 56.100 0.259 0.000 0.896 165 R CB 1.324 31.668 30.300 0.073 0.000 1.187 165 R HN 0.760 nan 8.270 nan 0.000 0.440 166 Y N 5.540 125.953 120.300 0.188 0.000 2.320 166 Y HA 0.534 5.101 4.550 0.028 0.000 0.334 166 Y C -1.493 174.275 175.900 -0.221 0.000 1.055 166 Y CA -0.437 57.640 58.100 -0.039 0.000 1.143 166 Y CB 0.895 39.275 38.460 -0.134 0.000 1.193 166 Y HN 0.500 nan 8.280 nan 0.000 0.477 167 L N 6.893 127.446 121.223 -1.117 0.000 2.388 167 L HA 0.538 4.894 4.340 0.028 0.000 0.264 167 L C -1.621 174.644 176.870 -1.009 0.000 0.998 167 L CA -1.205 53.025 54.840 -1.017 0.000 0.817 167 L CB 2.232 43.630 42.059 -1.101 0.000 1.338 167 L HN 0.636 nan 8.230 nan 0.000 0.414 168 L N 4.781 125.696 121.223 -0.514 0.000 2.372 168 L HA 0.665 5.022 4.340 0.028 0.000 0.274 168 L C -0.709 176.141 176.870 -0.032 0.000 0.988 168 L CA -0.166 54.522 54.840 -0.254 0.000 0.833 168 L CB 1.349 43.263 42.059 -0.242 0.000 1.236 168 L HN 0.479 nan 8.230 nan 0.000 0.410 169 I N 1.870 122.495 120.570 0.092 0.000 2.957 169 I HA 1.030 5.217 4.170 0.028 0.000 0.310 169 I C -0.649 175.503 176.117 0.058 0.000 1.063 169 I CA -0.912 60.463 61.300 0.124 0.000 1.033 169 I CB 2.177 40.303 38.000 0.210 0.000 1.230 169 I HN 0.691 nan 8.210 nan 0.000 0.447 170 A N 2.393 125.243 122.820 0.051 0.000 2.414 170 A HA 0.771 5.108 4.320 0.028 0.000 0.306 170 A C -0.840 176.751 177.584 0.012 0.000 1.054 170 A CA -0.586 51.452 52.037 0.003 0.000 0.724 170 A CB 1.806 20.777 19.000 -0.048 0.000 1.267 170 A HN 0.740 nan 8.150 nan 0.000 0.418 171 S N 2.857 118.563 115.700 0.011 0.000 2.672 171 S HA 0.686 5.173 4.470 0.028 0.000 0.291 171 S C -3.029 171.538 174.600 -0.055 0.000 1.145 171 S CA -1.397 56.739 58.200 -0.107 0.000 1.013 171 S CB 1.513 64.591 63.200 -0.204 0.000 1.017 171 S HN 0.545 nan 8.310 nan 0.000 0.487 172 P HA 0.255 nan 4.420 nan 0.000 0.266 172 P C -1.188 176.143 177.300 0.052 0.000 1.195 172 P CA -0.185 62.961 63.100 0.077 0.000 0.768 172 P CB 0.592 32.383 31.700 0.151 0.000 0.838 173 A N 3.032 125.918 122.820 0.110 0.000 2.375 173 A HA 0.634 4.971 4.320 0.028 0.000 0.291 173 A C 0.460 178.146 177.584 0.169 0.000 1.160 173 A CA -0.514 51.637 52.037 0.190 0.000 0.747 173 A CB 0.888 20.094 19.000 0.343 0.000 1.170 173 A HN 0.571 nan 8.150 nan 0.000 0.458 174 G N 0.887 109.770 108.800 0.139 0.000 2.588 174 G HA2 0.580 4.557 3.960 0.028 0.000 0.278 174 G HA3 0.580 4.557 3.960 0.028 0.000 0.278 174 G C 0.617 175.583 174.900 0.110 0.000 1.307 174 G CA -0.007 45.154 45.100 0.103 0.000 1.016 174 G HN 1.790 nan 8.290 nan 0.000 0.503 175 A N -0.877 121.998 122.820 0.092 0.000 2.561 175 A HA 0.145 4.482 4.320 0.028 0.000 0.251 175 A C 0.888 178.512 177.584 0.067 0.000 1.062 175 A CA 0.068 52.170 52.037 0.108 0.000 0.761 175 A CB -0.236 18.823 19.000 0.099 0.000 0.986 175 A HN 0.768 nan 8.150 nan 0.000 0.510 176 Y N 3.071 123.321 120.300 -0.084 0.000 2.097 176 Y HA -0.142 4.425 4.550 0.027 0.000 0.282 176 Y C 0.554 176.189 175.900 -0.441 0.000 1.152 176 Y CA 2.032 59.932 58.100 -0.334 0.000 1.136 176 Y CB -0.111 38.040 38.460 -0.515 0.000 0.975 176 Y HN 0.615 nan 8.280 nan 0.000 0.498 177 F N 2.262 122.283 119.950 0.119 0.000 2.425 177 F HA 0.222 4.766 4.527 0.028 0.000 0.354 177 F C 1.299 177.108 175.800 0.014 0.000 1.162 177 F CA -0.845 57.178 58.000 0.038 0.000 1.250 177 F CB 0.138 39.189 39.000 0.085 0.000 1.579 177 F HN 0.006 nan 8.300 nan 0.000 0.589 178 K N 0.771 121.213 120.400 0.071 0.000 2.015 178 K HA -0.162 4.175 4.320 0.028 0.000 0.220 178 K C 1.171 177.815 176.600 0.073 0.000 1.055 178 K CA 1.585 57.903 56.287 0.052 0.000 0.951 178 K CB -0.645 31.857 32.500 0.003 0.000 0.725 178 K HN 0.592 nan 8.250 nan 0.000 0.449 179 G N 1.380 110.224 108.800 0.074 0.000 3.628 179 G HA2 0.480 4.457 3.960 0.028 0.000 0.328 179 G HA3 0.480 4.457 3.960 0.028 0.000 0.328 179 G C -0.160 174.784 174.900 0.073 0.000 1.200 179 G CA -0.098 45.039 45.100 0.061 0.000 1.364 179 G HN 0.721 nan 8.290 nan 0.000 0.503 180 G N 0.949 109.797 108.800 0.081 0.000 2.778 180 G HA2 -0.163 3.813 3.960 0.028 0.000 0.686 180 G HA3 -0.163 3.813 3.960 0.028 0.000 0.686 180 G C 0.151 175.078 174.900 0.045 0.000 1.309 180 G CA -0.320 44.808 45.100 0.046 0.000 0.904 180 G HN 1.075 nan 8.290 nan 0.000 0.593 181 I N 1.000 121.501 120.570 -0.116 0.000 2.752 181 I HA 0.375 4.562 4.170 0.028 0.000 0.287 181 I C 0.467 176.417 176.117 -0.279 0.000 1.188 181 I CA 0.189 61.186 61.300 -0.506 0.000 1.427 181 I CB 0.343 37.927 38.000 -0.693 0.000 1.365 181 I HN 0.498 nan 8.210 nan 0.000 0.585 182 K N 8.715 128.979 120.400 -0.226 0.000 2.471 182 K HA 0.536 4.873 4.320 0.028 0.000 0.252 182 K C -2.631 173.993 176.600 0.040 0.000 0.938 182 K CA -1.820 54.471 56.287 0.007 0.000 0.796 182 K CB 2.113 34.700 32.500 0.144 0.000 1.161 182 K HN 0.321 nan 8.250 nan 0.000 0.425 183 P HA 0.137 nan 4.420 nan 0.000 0.274 183 P C -0.218 177.141 177.300 0.097 0.000 1.231 183 P CA -0.505 62.629 63.100 0.056 0.000 0.790 183 P CB 1.020 32.743 31.700 0.037 0.000 0.951 184 V N -0.904 119.081 119.914 0.118 0.000 2.881 184 V HA 0.753 4.889 4.120 0.028 0.000 0.316 184 V C 0.007 176.165 176.094 0.108 0.000 1.070 184 V CA -0.905 61.465 62.300 0.116 0.000 0.976 184 V CB 1.385 33.289 31.823 0.136 0.000 1.038 184 V HN 0.708 nan 8.190 nan 0.000 0.446 185 S N 1.842 117.603 115.700 0.102 0.000 2.565 185 S HA 0.880 5.367 4.470 0.028 0.000 0.290 185 S C -0.280 174.381 174.600 0.102 0.000 1.150 185 S CA -0.179 58.093 58.200 0.119 0.000 1.058 185 S CB 1.342 64.624 63.200 0.138 0.000 1.032 185 S HN 2.111 nan 8.310 nan 0.000 0.510 186 V N -0.829 119.129 119.914 0.074 0.000 2.823 186 V HA 0.694 4.831 4.120 0.028 0.000 0.312 186 V C -0.960 175.193 176.094 0.100 0.000 1.072 186 V CA -1.021 61.325 62.300 0.077 0.000 0.937 186 V CB 1.675 33.539 31.823 0.070 0.000 1.013 186 V HN 1.097 nan 8.190 nan 0.000 0.430 187 W N 5.740 127.002 121.300 -0.063 0.000 2.417 187 W HA 0.612 5.286 4.660 0.024 0.000 0.315 187 W C -1.583 174.904 176.519 -0.053 0.000 1.045 187 W CA -1.087 56.224 57.345 -0.057 0.000 1.221 187 W CB 1.751 31.184 29.460 -0.043 0.000 1.309 187 W HN 0.687 nan 8.180 nan 0.000 0.453 188 L N 5.935 126.718 121.223 -0.733 0.000 2.369 188 L HA 0.059 4.416 4.340 0.028 0.000 0.279 188 L C 1.086 177.442 176.870 -0.855 0.000 1.108 188 L CA 0.007 54.498 54.840 -0.582 0.000 0.852 188 L CB 0.883 42.718 42.059 -0.374 0.000 1.169 188 L HN 0.366 nan 8.230 nan 0.000 0.452 189 S N 1.296 116.736 115.700 -0.432 0.000 2.481 189 S HA -0.024 4.463 4.470 0.028 0.000 0.282 189 S C 0.859 175.456 174.600 -0.005 0.000 1.243 189 S CA -0.214 57.906 58.200 -0.132 0.000 1.078 189 S CB 0.088 63.275 63.200 -0.022 0.000 0.916 189 S HN 0.623 nan 8.310 nan 0.000 0.495 190 H N 3.377 122.439 119.070 -0.014 0.000 2.520 190 H HA 0.279 4.851 4.556 0.026 0.000 0.279 190 H C 1.748 177.062 175.328 -0.024 0.000 0.990 190 H CA 1.432 57.459 56.048 -0.034 0.000 1.288 190 H CB 0.306 30.064 29.762 -0.007 0.000 1.446 190 H HN 0.736 nan 8.280 nan 0.000 0.538 191 E N -1.101 119.115 120.200 0.026 0.000 2.340 191 E HA 0.033 4.400 4.350 0.028 0.000 0.194 191 E C -0.636 175.702 176.600 -0.437 0.000 0.996 191 E CA -0.014 56.228 56.400 -0.263 0.000 0.869 191 E CB 0.430 29.925 29.700 -0.342 0.000 0.835 191 E HN 0.383 nan 8.360 nan 0.000 0.493 192 Y N -0.783 119.624 120.300 0.178 0.000 2.562 192 Y HA 0.488 5.051 4.550 0.022 0.000 0.343 192 Y C -0.326 175.808 175.900 0.389 0.000 1.025 192 Y CA -1.168 57.095 58.100 0.272 0.000 1.082 192 Y CB 1.903 40.587 38.460 0.374 0.000 1.264 192 Y HN -0.334 nan 8.280 nan 0.000 0.478 193 V N 1.945 122.141 119.914 0.471 0.000 2.769 193 V HA 0.411 4.548 4.120 0.028 0.000 0.312 193 V C 0.574 176.590 176.094 -0.129 0.000 1.061 193 V CA -0.983 61.477 62.300 0.267 0.000 0.931 193 V CB 1.962 33.850 31.823 0.107 0.000 1.010 193 V HN 0.873 nan 8.190 nan 0.000 0.433 194 R N 1.521 121.666 120.500 -0.590 0.000 2.161 194 R HA 0.495 4.852 4.340 0.028 0.000 0.213 194 R C 0.377 176.382 176.300 -0.491 0.000 1.055 194 R CA 1.166 56.589 56.100 -1.128 0.000 0.996 194 R CB 0.422 29.708 30.300 -1.689 0.000 0.901 194 R HN 0.923 nan 8.270 nan 0.000 0.456 195 A N -0.447 122.216 122.820 -0.262 0.000 2.567 195 A HA 0.406 4.743 4.320 0.028 0.000 0.291 195 A C -1.314 176.233 177.584 -0.062 0.000 1.048 195 A CA -0.514 51.445 52.037 -0.130 0.000 0.661 195 A CB 1.028 19.955 19.000 -0.122 0.000 1.288 195 A HN 0.224 nan 8.150 nan 0.000 0.424 196 S N 0.092 115.774 115.700 -0.030 0.000 2.600 196 S HA 0.863 5.350 4.470 0.028 0.000 0.300 196 S C -3.077 171.516 174.600 -0.011 0.000 1.087 196 S CA -1.651 56.543 58.200 -0.011 0.000 0.965 196 S CB 1.298 64.498 63.200 -0.000 0.000 1.089 196 S HN 0.478 nan 8.310 nan 0.000 0.496 197 P HA 0.207 nan 4.420 nan 0.000 0.261 197 P C 1.167 178.460 177.300 -0.012 0.000 1.165 197 P CA 1.851 64.944 63.100 -0.011 0.000 0.759 197 P CB -0.086 31.609 31.700 -0.008 0.000 0.772 198 G N 1.983 110.773 108.800 -0.017 0.000 2.267 198 G HA2 -0.237 3.740 3.960 0.028 0.000 0.257 198 G HA3 -0.237 3.740 3.960 0.028 0.000 0.257 198 G C 0.842 175.731 174.900 -0.018 0.000 0.998 198 G CA 0.185 45.274 45.100 -0.018 0.000 0.620 198 G HN 0.877 nan 8.290 nan 0.000 0.529 199 G N -0.362 108.430 108.800 -0.012 0.000 2.393 199 G HA2 0.407 4.384 3.960 0.028 0.000 0.268 199 G HA3 0.407 4.384 3.960 0.028 0.000 0.268 199 G C 1.213 176.109 174.900 -0.008 0.000 1.472 199 G CA 1.871 46.968 45.100 -0.005 0.000 1.059 199 G HN 1.369 nan 8.290 nan 0.000 0.555 200 T N -3.226 111.340 114.554 0.020 0.000 3.214 200 T HA 0.340 4.707 4.350 0.028 0.000 0.264 200 T C 1.891 176.629 174.700 0.063 0.000 1.012 200 T CA 0.740 62.861 62.100 0.035 0.000 0.901 200 T CB 0.664 69.584 68.868 0.086 0.000 1.070 200 T HN 0.602 nan 8.240 nan 0.000 0.561 201 G N 1.502 110.308 108.800 0.010 0.000 2.448 201 G HA2 0.060 4.037 3.960 0.028 0.000 0.219 201 G HA3 0.060 4.037 3.960 0.028 0.000 0.219 201 G C 1.432 176.325 174.900 -0.011 0.000 1.127 201 G CA 0.420 45.506 45.100 -0.024 0.000 0.766 201 G HN 0.722 nan 8.290 nan 0.000 0.552 202 A N -0.481 122.336 122.820 -0.005 0.000 2.278 202 A HA 0.752 5.089 4.320 0.028 0.000 0.212 202 A C 1.097 178.682 177.584 0.002 0.000 1.213 202 A CA 0.800 52.832 52.037 -0.007 0.000 0.840 202 A CB -0.083 18.906 19.000 -0.018 0.000 0.866 202 A HN 0.691 nan 8.150 nan 0.000 0.489 203 A N -0.235 122.602 122.820 0.030 0.000 2.355 203 A HA 0.634 4.971 4.320 0.028 0.000 0.324 203 A C -0.098 177.540 177.584 0.090 0.000 1.117 203 A CA -0.654 51.408 52.037 0.041 0.000 0.785 203 A CB 0.667 19.688 19.000 0.034 0.000 1.254 203 A HN 0.187 nan 8.150 nan 0.000 0.453 204 K N 1.732 122.133 120.400 0.001 0.000 2.150 204 K HA 0.349 4.686 4.320 0.028 0.000 0.261 204 K C -1.420 175.191 176.600 0.018 0.000 1.127 204 K CA 0.091 56.283 56.287 -0.158 0.000 0.989 204 K CB -0.140 32.058 32.500 -0.504 0.000 1.475 204 K HN 0.520 nan 8.250 nan 0.000 0.391 205 F N 1.972 121.995 119.950 0.121 0.000 2.529 205 F HA 0.418 4.962 4.527 0.027 0.000 0.320 205 F C 0.935 176.996 175.800 0.434 0.000 1.118 205 F CA -1.060 57.093 58.000 0.255 0.000 0.915 205 F CB 1.424 40.514 39.000 0.150 0.000 1.161 205 F HN 0.411 nan 8.300 nan 0.000 0.445 206 G N 3.513 112.367 108.800 0.090 0.000 2.505 206 G HA2 -0.286 3.691 3.960 0.028 0.000 0.220 206 G HA3 -0.286 3.691 3.960 0.028 0.000 0.220 206 G C 1.555 176.200 174.900 -0.425 0.000 1.145 206 G CA 0.954 46.002 45.100 -0.086 0.000 0.761 206 G HN 1.087 nan 8.290 nan 0.000 0.571 207 G N 1.122 109.103 108.800 -1.366 0.000 2.469 207 G HA2 -0.322 3.655 3.960 0.028 0.000 0.219 207 G HA3 -0.322 3.655 3.960 0.028 0.000 0.219 207 G C 1.747 176.395 174.900 -0.420 0.000 1.150 207 G CA 1.268 45.799 45.100 -0.948 0.000 0.763 207 G HN 0.445 nan 8.290 nan 0.000 0.561 208 N N 0.045 118.530 118.700 -0.359 0.000 2.149 208 N HA -0.114 4.643 4.740 0.028 0.000 0.188 208 N C 1.834 177.210 175.510 -0.224 0.000 1.019 208 N CA 1.186 54.134 53.050 -0.170 0.000 0.857 208 N CB -0.476 37.942 38.487 -0.115 0.000 0.997 208 N HN 0.500 nan 8.380 nan 0.000 0.426 209 Y N 0.824 121.076 120.300 -0.080 0.000 2.286 209 Y HA 0.099 4.666 4.550 0.029 0.000 0.293 209 Y C 2.390 178.271 175.900 -0.032 0.000 1.124 209 Y CA 0.859 58.950 58.100 -0.015 0.000 1.178 209 Y CB -0.533 37.935 38.460 0.013 0.000 1.010 209 Y HN 0.023 nan 8.280 nan 0.000 0.536 210 A N 0.129 122.983 122.820 0.056 0.000 1.933 210 A HA -0.126 4.211 4.320 0.028 0.000 0.218 210 A C 2.381 179.966 177.584 0.001 0.000 1.175 210 A CA 1.722 53.767 52.037 0.015 0.000 0.628 210 A CB -1.157 17.830 19.000 -0.022 0.000 0.814 210 A HN 0.383 nan 8.150 nan 0.000 0.444 211 A N 0.123 122.929 122.820 -0.023 0.000 2.067 211 A HA -0.013 4.324 4.320 0.028 0.000 0.219 211 A C 2.324 179.901 177.584 -0.010 0.000 1.158 211 A CA 1.967 53.993 52.037 -0.018 0.000 0.661 211 A CB -0.672 18.309 19.000 -0.031 0.000 0.801 211 A HN 0.989 nan 8.150 nan 0.000 0.452 212 S N -0.625 115.079 115.700 0.007 0.000 2.558 212 S HA 0.134 4.621 4.470 0.028 0.000 0.217 212 S C 1.672 176.342 174.600 0.116 0.000 0.975 212 S CA 0.455 58.747 58.200 0.152 0.000 0.912 212 S CB -0.563 62.767 63.200 0.218 0.000 0.776 212 S HN 0.445 nan 8.310 nan 0.000 0.526 213 L N 0.835 122.082 121.223 0.040 0.000 2.013 213 L HA -0.110 4.247 4.340 0.028 0.000 0.212 213 L C 2.613 179.452 176.870 -0.052 0.000 1.073 213 L CA 1.534 56.383 54.840 0.015 0.000 0.753 213 L CB -0.728 41.336 42.059 0.009 0.000 0.890 213 L HN 0.343 nan 8.230 nan 0.000 0.432 214 L N -0.549 120.586 121.223 -0.146 0.000 2.083 214 L HA -0.203 4.154 4.340 0.028 0.000 0.209 214 L C 2.826 179.496 176.870 -0.333 0.000 1.083 214 L CA 1.114 55.806 54.840 -0.246 0.000 0.752 214 L CB -0.572 41.274 42.059 -0.355 0.000 0.899 214 L HN 0.280 nan 8.230 nan 0.000 0.433 215 A N -0.615 121.951 122.820 -0.423 0.000 1.930 215 A HA -0.260 4.077 4.320 0.028 0.000 0.217 215 A C 2.153 179.700 177.584 -0.062 0.000 1.175 215 A CA 1.701 53.608 52.037 -0.216 0.000 0.627 215 A CB -0.381 18.595 19.000 -0.040 0.000 0.815 215 A HN 0.409 nan 8.150 nan 0.000 0.443 216 Q N 0.044 119.818 119.800 -0.042 0.000 2.083 216 Q HA 0.079 4.436 4.340 0.028 0.000 0.198 216 Q C 1.992 177.985 176.000 -0.012 0.000 0.969 216 Q CA 2.033 57.830 55.803 -0.011 0.000 0.838 216 Q CB -0.676 28.083 28.738 0.036 0.000 0.900 216 Q HN 0.493 nan 8.270 nan 0.000 0.436 217 A N 0.417 123.223 122.820 -0.024 0.000 1.940 217 A HA -0.259 4.078 4.320 0.028 0.000 0.219 217 A C 2.098 179.658 177.584 -0.040 0.000 1.176 217 A CA 1.755 53.776 52.037 -0.027 0.000 0.631 217 A CB -0.761 18.223 19.000 -0.027 0.000 0.814 217 A HN 0.616 nan 8.150 nan 0.000 0.446 218 Q N -0.673 119.112 119.800 -0.026 0.000 2.079 218 Q HA -0.098 4.259 4.340 0.028 0.000 0.200 218 Q C 2.212 178.106 176.000 -0.176 0.000 0.974 218 Q CA 1.411 57.186 55.803 -0.047 0.000 0.840 218 Q CB -0.342 28.458 28.738 0.103 0.000 0.898 218 Q HN 0.612 nan 8.270 nan 0.000 0.430 219 A N 0.819 123.602 122.820 -0.060 0.000 1.908 219 A HA -0.177 4.159 4.320 0.028 0.000 0.218 219 A C 2.268 179.789 177.584 -0.104 0.000 1.181 219 A CA 1.829 53.842 52.037 -0.040 0.000 0.627 219 A CB -1.001 18.072 19.000 0.122 0.000 0.818 219 A HN 0.557 nan 8.150 nan 0.000 0.445 220 A N -0.317 122.463 122.820 -0.068 0.000 1.930 220 A HA -0.146 4.190 4.320 0.028 0.000 0.217 220 A C 1.861 179.382 177.584 -0.105 0.000 1.175 220 A CA 1.612 53.612 52.037 -0.062 0.000 0.627 220 A CB -0.511 18.466 19.000 -0.037 0.000 0.815 220 A HN 0.632 nan 8.150 nan 0.000 0.443 221 E N -0.844 119.274 120.200 -0.137 0.000 2.268 221 E HA -0.088 4.279 4.350 0.028 0.000 0.195 221 E C 1.244 177.708 176.600 -0.226 0.000 0.995 221 E CA 0.792 57.101 56.400 -0.152 0.000 0.836 221 E CB -0.093 29.528 29.700 -0.132 0.000 0.763 221 E HN 0.421 nan 8.360 nan 0.000 0.491 222 M N -0.802 118.587 119.600 -0.351 0.000 2.561 222 M HA 0.159 4.656 4.480 0.028 0.000 0.238 222 M C 1.062 177.215 176.300 -0.244 0.000 1.131 222 M CA 0.478 55.496 55.300 -0.469 0.000 1.046 222 M CB 0.147 32.109 32.600 -1.063 0.000 1.532 222 M HN 0.220 nan 8.290 nan 0.000 0.497 223 G N 0.592 109.301 108.800 -0.152 0.000 2.137 223 G HA2 -0.208 3.769 3.960 0.028 0.000 0.237 223 G HA3 -0.208 3.769 3.960 0.028 0.000 0.237 223 G C 0.009 174.896 174.900 -0.021 0.000 1.002 223 G CA 0.014 45.070 45.100 -0.074 0.000 0.702 223 G HN 0.491 nan 8.290 nan 0.000 0.515 224 C N -0.123 119.174 119.300 -0.006 0.000 2.562 224 C HA 0.636 5.113 4.460 0.028 0.000 0.332 224 C C 1.441 176.458 174.990 0.046 0.000 1.201 224 C CA -0.404 58.650 59.018 0.060 0.000 1.803 224 C CB 1.678 29.505 27.740 0.146 0.000 2.328 224 C HN 0.423 nan 8.230 nan 0.000 0.500 225 D N -0.042 120.395 120.400 0.062 0.000 2.120 225 D HA -0.010 4.646 4.640 0.028 0.000 0.202 225 D C 0.460 176.795 176.300 0.060 0.000 0.972 225 D CA 1.375 55.408 54.000 0.055 0.000 0.837 225 D CB 0.233 41.074 40.800 0.068 0.000 0.989 225 D HN 0.554 nan 8.370 nan 0.000 0.469 226 Q N 0.174 120.018 119.800 0.073 0.000 2.423 226 Q HA 0.398 4.755 4.340 0.028 0.000 0.278 226 Q C -0.896 175.127 176.000 0.038 0.000 1.097 226 Q CA -0.686 55.153 55.803 0.059 0.000 0.809 226 Q CB 3.244 32.027 28.738 0.075 0.000 1.391 226 Q HN -0.075 nan 8.270 nan 0.000 0.428 227 V N 1.504 121.391 119.914 -0.045 0.000 2.509 227 V HA 0.433 4.570 4.120 0.028 0.000 0.284 227 V C -0.711 175.173 176.094 -0.350 0.000 1.047 227 V CA -0.319 61.869 62.300 -0.187 0.000 0.952 227 V CB 1.527 33.125 31.823 -0.375 0.000 0.988 227 V HN 0.525 nan 8.190 nan 0.000 0.469 228 V N 6.771 126.486 119.914 -0.331 0.000 2.513 228 V HA 0.479 4.615 4.120 0.028 0.000 0.299 228 V C -0.785 175.126 176.094 -0.306 0.000 1.035 228 V CA -0.667 61.496 62.300 -0.228 0.000 0.889 228 V CB 1.883 33.728 31.823 0.038 0.000 0.988 228 V HN 0.985 nan 8.190 nan 0.000 0.440 229 W N 5.080 126.433 121.300 0.088 0.000 2.376 229 W HA 0.694 5.368 4.660 0.023 0.000 0.322 229 W C -0.251 176.312 176.519 0.073 0.000 1.160 229 W CA -0.448 56.940 57.345 0.072 0.000 1.218 229 W CB 0.740 30.234 29.460 0.057 0.000 1.205 229 W HN 0.273 nan 8.180 nan 0.000 0.559 230 L N 3.275 124.682 121.223 0.306 0.000 2.333 230 L HA 0.311 4.668 4.340 0.028 0.000 0.269 230 L C 0.470 177.451 176.870 0.185 0.000 1.010 230 L CA -1.300 53.656 54.840 0.193 0.000 0.818 230 L CB 1.177 43.295 42.059 0.099 0.000 1.306 230 L HN 0.479 nan 8.230 nan 0.000 0.430 231 D N 1.303 121.799 120.400 0.161 0.000 2.472 231 D HA -0.040 4.617 4.640 0.028 0.000 0.237 231 D C 0.654 177.011 176.300 0.096 0.000 1.141 231 D CA 0.029 54.111 54.000 0.137 0.000 0.875 231 D CB 1.856 42.770 40.800 0.189 0.000 1.192 231 D HN 0.636 nan 8.370 nan 0.000 0.450 232 A N 3.280 126.141 122.820 0.069 0.000 2.119 232 A HA -0.020 4.317 4.320 0.028 0.000 0.217 232 A C 2.168 179.771 177.584 0.032 0.000 1.153 232 A CA 0.434 52.497 52.037 0.044 0.000 0.692 232 A CB -0.333 18.684 19.000 0.028 0.000 0.799 232 A HN 0.703 nan 8.150 nan 0.000 0.458 233 I N -1.117 119.482 120.570 0.048 0.000 2.272 233 I HA -0.110 4.077 4.170 0.028 0.000 0.235 233 I C 2.133 178.273 176.117 0.039 0.000 1.071 233 I CA 1.204 62.530 61.300 0.043 0.000 1.374 233 I CB -0.275 37.760 38.000 0.058 0.000 1.121 233 I HN 0.274 nan 8.210 nan 0.000 0.420 234 E N 0.403 120.642 120.200 0.065 0.000 2.472 234 E HA 0.085 4.452 4.350 0.028 0.000 0.196 234 E C -0.253 176.327 176.600 -0.034 0.000 1.033 234 E CA -0.162 56.251 56.400 0.021 0.000 0.886 234 E CB 0.432 30.159 29.700 0.045 0.000 0.944 234 E HN 0.178 nan 8.360 nan 0.000 0.492 235 R N 0.502 120.996 120.500 -0.011 0.000 3.516 235 R HA -0.236 4.121 4.340 0.028 0.000 0.271 235 R C 0.806 177.062 176.300 -0.074 0.000 1.098 235 R CA 1.318 57.398 56.100 -0.032 0.000 0.732 235 R CB -2.345 27.913 30.300 -0.071 0.000 1.152 235 R HN 0.515 nan 8.270 nan 0.000 0.455 236 R N -2.260 118.154 120.500 -0.145 0.000 2.646 236 R HA 0.115 4.472 4.340 0.028 0.000 0.226 236 R C 0.024 176.141 176.300 -0.305 0.000 0.928 236 R CA -0.267 55.665 56.100 -0.280 0.000 1.010 236 R CB 0.320 30.338 30.300 -0.469 0.000 1.516 236 R HN 0.106 nan 8.270 nan 0.000 0.621 237 Y N 2.321 122.630 120.300 0.016 0.000 2.336 237 Y HA 0.293 4.860 4.550 0.028 0.000 0.335 237 Y C 0.500 176.426 175.900 0.042 0.000 1.046 237 Y CA -0.924 57.181 58.100 0.008 0.000 1.198 237 Y CB 1.532 39.986 38.460 -0.010 0.000 1.182 237 Y HN -0.260 nan 8.280 nan 0.000 0.502 238 V N 4.850 124.877 119.914 0.189 0.000 2.585 238 V HA -0.022 4.115 4.120 0.028 0.000 0.296 238 V C 0.395 176.586 176.094 0.160 0.000 1.035 238 V CA 0.380 62.792 62.300 0.188 0.000 1.084 238 V CB 0.949 32.885 31.823 0.188 0.000 0.953 238 V HN 0.935 nan 8.190 nan 0.000 0.483 239 E N 2.704 123.014 120.200 0.183 0.000 2.329 239 E HA 0.302 4.669 4.350 0.028 0.000 0.189 239 E C -0.126 176.559 176.600 0.143 0.000 0.997 239 E CA -0.155 56.333 56.400 0.146 0.000 1.062 239 E CB 0.699 30.496 29.700 0.160 0.000 1.260 239 E HN 0.795 nan 8.360 nan 0.000 0.490 240 E N 0.020 120.362 120.200 0.236 0.000 2.456 240 E HA 0.405 4.772 4.350 0.028 0.000 0.276 240 E C -1.267 175.504 176.600 0.286 0.000 0.981 240 E CA -0.604 55.935 56.400 0.233 0.000 0.814 240 E CB 2.490 32.331 29.700 0.235 0.000 1.382 240 E HN -0.031 nan 8.360 nan 0.000 0.459 241 M N 1.853 121.581 119.600 0.213 0.000 2.044 241 M HA 0.375 4.872 4.480 0.028 0.000 0.333 241 M C 0.341 176.768 176.300 0.211 0.000 1.004 241 M CA 0.293 55.684 55.300 0.151 0.000 0.954 241 M CB 0.351 33.016 32.600 0.109 0.000 1.468 241 M HN 0.802 nan 8.290 nan 0.000 0.414 242 G N 3.685 112.630 108.800 0.241 0.000 2.622 242 G HA2 -0.316 3.661 3.960 0.028 0.000 0.307 242 G HA3 -0.316 3.661 3.960 0.028 0.000 0.307 242 G C 0.361 175.492 174.900 0.385 0.000 1.226 242 G CA 0.104 45.418 45.100 0.356 0.000 0.997 242 G HN 1.124 nan 8.290 nan 0.000 0.551 243 G N -0.604 108.381 108.800 0.307 0.000 3.949 243 G HA2 0.580 4.557 3.960 0.028 0.000 0.295 243 G HA3 0.580 4.557 3.960 0.028 0.000 0.295 243 G C 0.038 175.091 174.900 0.254 0.000 1.286 243 G CA 0.275 45.559 45.100 0.306 0.000 1.171 243 G HN 0.548 nan 8.290 nan 0.000 0.586 244 M N -0.062 119.665 119.600 0.210 0.000 2.501 244 M HA 0.288 4.785 4.480 0.028 0.000 0.293 244 M C -0.755 175.635 176.300 0.149 0.000 1.192 244 M CA -0.739 54.662 55.300 0.169 0.000 0.886 244 M CB 2.466 35.155 32.600 0.148 0.000 1.710 244 M HN 0.018 nan 8.290 nan 0.000 0.457 245 N N 0.959 119.743 118.700 0.139 0.000 2.381 245 N HA 0.653 5.409 4.740 0.028 0.000 0.254 245 N C -1.357 174.188 175.510 0.060 0.000 1.264 245 N CA -0.287 52.821 53.050 0.096 0.000 0.942 245 N CB 0.829 39.380 38.487 0.107 0.000 1.190 245 N HN 0.419 nan 8.380 nan 0.000 0.495 246 L N 0.922 122.101 121.223 -0.072 0.000 2.354 246 L HA 0.581 4.938 4.340 0.028 0.000 0.269 246 L C -1.255 175.336 176.870 -0.465 0.000 1.005 246 L CA -0.620 54.074 54.840 -0.244 0.000 0.819 246 L CB 1.171 43.055 42.059 -0.291 0.000 1.311 246 L HN 0.413 nan 8.230 nan 0.000 0.423 247 F N 1.059 120.498 119.950 -0.851 0.000 2.576 247 F HA 0.582 5.126 4.527 0.028 0.000 0.313 247 F C -0.693 174.540 175.800 -0.946 0.000 1.078 247 F CA -0.456 57.054 58.000 -0.817 0.000 0.921 247 F CB 2.000 40.241 39.000 -1.264 0.000 1.232 247 F HN 0.056 nan 8.300 nan 0.000 0.459 248 F N 1.998 121.866 119.950 -0.137 0.000 2.507 248 F HA 0.637 5.181 4.527 0.027 0.000 0.325 248 F C -0.563 175.315 175.800 0.131 0.000 1.116 248 F CA -1.196 56.758 58.000 -0.077 0.000 0.930 248 F CB 1.718 40.667 39.000 -0.085 0.000 1.146 248 F HN -0.033 nan 8.300 nan 0.000 0.447 249 V N 4.254 124.294 119.914 0.210 0.000 2.370 249 V HA 0.342 4.479 4.120 0.028 0.000 0.279 249 V C -0.646 175.555 176.094 0.179 0.000 1.029 249 V CA -0.710 61.724 62.300 0.223 0.000 0.870 249 V CB 0.809 32.709 31.823 0.127 0.000 0.984 249 V HN 0.434 nan 8.190 nan 0.000 0.451 250 F N 3.500 123.492 119.950 0.070 0.000 2.415 250 F HA 0.759 5.302 4.527 0.028 0.000 0.348 250 F C 0.993 176.824 175.800 0.052 0.000 1.119 250 F CA 0.455 58.494 58.000 0.065 0.000 1.069 250 F CB 1.273 40.305 39.000 0.054 0.000 1.124 250 F HN 0.848 nan 8.300 nan 0.000 0.472 251 G N 1.804 110.710 108.800 0.177 0.000 2.642 251 G HA2 0.078 4.055 3.960 0.028 0.000 0.231 251 G HA3 0.078 4.055 3.960 0.028 0.000 0.231 251 G C -0.512 174.447 174.900 0.097 0.000 1.338 251 G CA -0.204 44.975 45.100 0.132 0.000 0.883 251 G HN 0.996 nan 8.290 nan 0.000 0.570 252 S N -2.133 113.625 115.700 0.096 0.000 2.672 252 S HA 0.846 5.332 4.470 0.028 0.000 0.271 252 S C 0.635 175.307 174.600 0.120 0.000 1.171 252 S CA 1.220 59.471 58.200 0.085 0.000 0.817 252 S CB 0.928 64.168 63.200 0.067 0.000 1.150 252 S HN 3.093 nan 8.310 nan 0.000 0.478 253 G N 0.734 109.614 108.800 0.133 0.000 2.698 253 G HA2 -0.030 3.946 3.960 0.028 0.000 0.233 253 G HA3 -0.030 3.946 3.960 0.028 0.000 0.233 253 G C 0.907 175.975 174.900 0.279 0.000 1.352 253 G CA 0.231 45.428 45.100 0.161 0.000 0.879 253 G HN 1.783 nan 8.290 nan 0.000 0.567 254 G N -0.593 108.328 108.800 0.202 0.000 2.470 254 G HA2 0.176 4.153 3.960 0.028 0.000 0.220 254 G HA3 0.176 4.153 3.960 0.028 0.000 0.220 254 G C 1.935 176.969 174.900 0.223 0.000 1.121 254 G CA 1.971 47.174 45.100 0.172 0.000 0.766 254 G HN 2.012 nan 8.290 nan 0.000 0.553 255 S N -0.147 115.673 115.700 0.200 0.000 2.631 255 S HA 0.608 5.095 4.470 0.028 0.000 0.217 255 S C 1.209 175.943 174.600 0.223 0.000 0.958 255 S CA 0.273 58.581 58.200 0.179 0.000 0.920 255 S CB 0.141 63.409 63.200 0.115 0.000 0.776 255 S HN 0.543 nan 8.310 nan 0.000 0.517 256 A N 1.894 124.887 122.820 0.288 0.000 2.507 256 A HA 0.494 4.831 4.320 0.028 0.000 0.235 256 A C 0.424 178.123 177.584 0.191 0.000 1.070 256 A CA -0.292 51.853 52.037 0.181 0.000 0.768 256 A CB 0.144 19.153 19.000 0.015 0.000 1.011 256 A HN 0.657 nan 8.150 nan 0.000 0.502 257 R N 0.795 121.385 120.500 0.151 0.000 2.670 257 R HA 0.640 4.997 4.340 0.028 0.000 0.289 257 R C -1.870 174.521 176.300 0.152 0.000 0.965 257 R CA -0.676 55.503 56.100 0.132 0.000 0.899 257 R CB 0.910 31.243 30.300 0.055 0.000 1.173 257 R HN 0.551 nan 8.270 nan 0.000 0.456 258 L N 3.760 125.068 121.223 0.143 0.000 2.329 258 L HA 0.531 4.888 4.340 0.028 0.000 0.279 258 L C -0.977 175.990 176.870 0.162 0.000 1.014 258 L CA -0.569 54.404 54.840 0.220 0.000 0.814 258 L CB 2.155 44.385 42.059 0.285 0.000 1.257 258 L HN 0.382 nan 8.230 nan 0.000 0.424 259 V N 1.841 121.877 119.914 0.202 0.000 2.656 259 V HA 0.744 4.881 4.120 0.028 0.000 0.307 259 V C -0.334 175.777 176.094 0.028 0.000 1.051 259 V CA -0.483 61.852 62.300 0.059 0.000 0.893 259 V CB 2.154 33.977 31.823 0.000 0.000 0.999 259 V HN 0.779 nan 8.190 nan 0.000 0.426 260 T N 5.630 120.081 114.554 -0.172 0.000 2.933 260 T HA 0.545 4.912 4.350 0.028 0.000 0.305 260 T C -3.024 171.532 174.700 -0.239 0.000 1.092 260 T CA -1.761 60.110 62.100 -0.382 0.000 1.008 260 T CB 2.355 70.571 68.868 -1.086 0.000 1.102 260 T HN 0.375 nan 8.240 nan 0.000 0.469 261 P HA 0.075 nan 4.420 nan 0.000 0.262 261 P C -0.229 176.991 177.300 -0.134 0.000 1.182 261 P CA -0.003 63.023 63.100 -0.123 0.000 0.761 261 P CB 0.340 32.002 31.700 -0.063 0.000 0.795 262 E N 4.992 125.120 120.200 -0.120 0.000 2.392 262 E HA 0.020 4.387 4.350 0.028 0.000 0.259 262 E C -0.464 176.086 176.600 -0.082 0.000 1.108 262 E CA -0.239 56.100 56.400 -0.101 0.000 0.916 262 E CB 0.343 29.983 29.700 -0.100 0.000 0.989 262 E HN 0.363 nan 8.360 nan 0.000 0.432 263 L N 3.356 124.541 121.223 -0.064 0.000 2.451 263 L HA -0.019 4.338 4.340 0.028 0.000 0.272 263 L C 1.513 178.352 176.870 -0.052 0.000 1.258 263 L CA 0.118 54.928 54.840 -0.050 0.000 1.132 263 L CB -0.540 41.496 42.059 -0.037 0.000 1.361 263 L HN 0.603 nan 8.230 nan 0.000 0.438 264 S N 0.119 115.784 115.700 -0.058 0.000 2.507 264 S HA -0.041 4.446 4.470 0.028 0.000 0.235 264 S C 1.547 176.120 174.600 -0.046 0.000 0.988 264 S CA 0.632 58.795 58.200 -0.061 0.000 0.944 264 S CB 0.157 63.318 63.200 -0.066 0.000 0.762 264 S HN 0.886 nan 8.310 nan 0.000 0.526 265 G N 0.540 109.317 108.800 -0.038 0.000 2.278 265 G HA2 -0.269 3.708 3.960 0.028 0.000 0.210 265 G HA3 -0.269 3.708 3.960 0.028 0.000 0.210 265 G C 1.015 175.897 174.900 -0.029 0.000 1.000 265 G CA 0.541 45.622 45.100 -0.033 0.000 0.635 265 G HN 1.205 nan 8.290 nan 0.000 0.495 266 S N -0.657 115.024 115.700 -0.030 0.000 2.505 266 S HA 0.594 5.081 4.470 0.028 0.000 0.216 266 S C 0.846 175.426 174.600 -0.034 0.000 1.018 266 S CA 0.402 58.584 58.200 -0.031 0.000 0.911 266 S CB 0.589 63.772 63.200 -0.029 0.000 0.818 266 S HN 0.789 nan 8.310 nan 0.000 0.497 267 L N 2.709 123.915 121.223 -0.028 0.000 2.452 267 L HA 0.373 4.730 4.340 0.028 0.000 0.267 267 L C -0.128 176.732 176.870 -0.016 0.000 1.188 267 L CA -0.496 54.330 54.840 -0.022 0.000 0.821 267 L CB 0.849 42.895 42.059 -0.022 0.000 1.102 267 L HN 0.284 nan 8.230 nan 0.000 0.470 268 L N 6.522 127.742 121.223 -0.004 0.000 2.265 268 L HA 0.409 4.766 4.340 0.028 0.000 0.288 268 L C -2.173 174.706 176.870 0.015 0.000 1.058 268 L CA -1.769 53.075 54.840 0.008 0.000 0.809 268 L CB 0.924 43.000 42.059 0.028 0.000 1.179 268 L HN 0.518 nan 8.230 nan 0.000 0.429 269 P HA 0.090 nan 4.420 nan 0.000 0.259 269 P C 0.210 177.525 177.300 0.025 0.000 1.635 269 P CA -0.075 63.030 63.100 0.008 0.000 1.199 269 P CB 0.053 31.749 31.700 -0.007 0.000 1.850 270 G N 2.146 110.976 108.800 0.051 0.000 2.441 270 G HA2 0.042 4.019 3.960 0.028 0.000 0.243 270 G HA3 0.042 4.019 3.960 0.028 0.000 0.243 270 G C 1.021 175.964 174.900 0.072 0.000 1.281 270 G CA -0.424 44.722 45.100 0.078 0.000 0.854 270 G HN 0.354 nan 8.290 nan 0.000 0.560 271 I N 1.209 121.819 120.570 0.068 0.000 2.500 271 I HA -0.120 4.067 4.170 0.028 0.000 0.252 271 I C 2.816 178.981 176.117 0.079 0.000 1.142 271 I CA 1.092 62.417 61.300 0.042 0.000 1.451 271 I CB -0.080 37.945 38.000 0.042 0.000 1.093 271 I HN 0.500 nan 8.210 nan 0.000 0.430 272 T N 0.448 115.078 114.554 0.125 0.000 2.777 272 T HA -0.198 4.169 4.350 0.028 0.000 0.266 272 T C 1.987 176.770 174.700 0.137 0.000 1.040 272 T CA 1.203 63.372 62.100 0.114 0.000 1.141 272 T CB -0.286 68.644 68.868 0.104 0.000 0.868 272 T HN 0.322 nan 8.240 nan 0.000 0.444 273 R N 1.200 121.822 120.500 0.203 0.000 2.080 273 R HA -0.183 4.174 4.340 0.028 0.000 0.236 273 R C 2.206 178.674 176.300 0.281 0.000 1.137 273 R CA 2.289 58.598 56.100 0.348 0.000 0.943 273 R CB -0.554 29.906 30.300 0.267 0.000 0.846 273 R HN 0.395 nan 8.270 nan 0.000 0.431 274 D N -0.343 120.143 120.400 0.143 0.000 2.104 274 D HA -0.139 4.518 4.640 0.028 0.000 0.194 274 D C 1.739 178.086 176.300 0.080 0.000 0.994 274 D CA 2.068 56.123 54.000 0.091 0.000 0.830 274 D CB 0.018 40.825 40.800 0.012 0.000 0.959 274 D HN 0.199 nan 8.370 nan 0.000 0.452 275 S N -0.514 115.175 115.700 -0.018 0.000 2.356 275 S HA -0.117 4.370 4.470 0.028 0.000 0.223 275 S C 2.061 176.757 174.600 0.159 0.000 1.032 275 S CA 0.725 58.861 58.200 -0.105 0.000 1.005 275 S CB -0.345 62.700 63.200 -0.258 0.000 0.867 275 S HN 0.309 nan 8.310 nan 0.000 0.449 276 L N 0.943 122.238 121.223 0.121 0.000 2.083 276 L HA -0.078 4.279 4.340 0.028 0.000 0.209 276 L C 2.230 179.194 176.870 0.156 0.000 1.083 276 L CA 0.890 55.773 54.840 0.072 0.000 0.752 276 L CB -0.539 41.410 42.059 -0.183 0.000 0.899 276 L HN 0.285 nan 8.230 nan 0.000 0.433 277 L N -0.620 120.765 121.223 0.270 0.000 2.083 277 L HA -0.237 4.120 4.340 0.028 0.000 0.209 277 L C 2.683 179.696 176.870 0.238 0.000 1.083 277 L CA 1.042 56.066 54.840 0.306 0.000 0.752 277 L CB -0.311 41.920 42.059 0.287 0.000 0.899 277 L HN 0.304 nan 8.230 nan 0.000 0.433 278 Q N 0.344 120.284 119.800 0.234 0.000 2.083 278 Q HA -0.140 4.216 4.340 0.028 0.000 0.198 278 Q C 2.143 178.298 176.000 0.258 0.000 0.969 278 Q CA 1.587 57.519 55.803 0.215 0.000 0.838 278 Q CB -0.222 28.643 28.738 0.212 0.000 0.900 278 Q HN 0.434 nan 8.270 nan 0.000 0.436 279 L N -0.191 121.226 121.223 0.323 0.000 2.093 279 L HA -0.112 4.245 4.340 0.028 0.000 0.208 279 L C 2.362 179.379 176.870 0.244 0.000 1.085 279 L CA 0.960 55.975 54.840 0.291 0.000 0.755 279 L CB -0.747 41.490 42.059 0.296 0.000 0.904 279 L HN 0.322 nan 8.230 nan 0.000 0.435 280 A N -0.411 122.573 122.820 0.273 0.000 1.902 280 A HA -0.205 4.132 4.320 0.028 0.000 0.217 280 A C 2.352 180.124 177.584 0.313 0.000 1.181 280 A CA 2.364 54.639 52.037 0.397 0.000 0.623 280 A CB -0.845 18.361 19.000 0.344 0.000 0.818 280 A HN 0.365 nan 8.150 nan 0.000 0.443 281 T N 0.168 114.852 114.554 0.217 0.000 2.821 281 T HA -0.105 4.262 4.350 0.028 0.000 0.267 281 T C 1.452 176.198 174.700 0.075 0.000 1.046 281 T CA 1.463 63.648 62.100 0.141 0.000 1.139 281 T CB -0.394 68.552 68.868 0.129 0.000 0.871 281 T HN 0.468 nan 8.240 nan 0.000 0.454 282 D N 1.542 121.999 120.400 0.095 0.000 2.144 282 D HA -0.004 4.653 4.640 0.028 0.000 0.199 282 D C 2.140 178.405 176.300 -0.058 0.000 0.984 282 D CA 1.036 55.060 54.000 0.041 0.000 0.834 282 D CB -0.328 40.523 40.800 0.086 0.000 0.955 282 D HN 0.425 nan 8.370 nan 0.000 0.465 283 A N -0.356 122.401 122.820 -0.105 0.000 2.167 283 A HA 0.353 4.690 4.320 0.028 0.000 0.214 283 A C 1.773 179.057 177.584 -0.500 0.000 1.151 283 A CA 1.273 53.110 52.037 -0.334 0.000 0.735 283 A CB -0.144 18.581 19.000 -0.458 0.000 0.802 283 A HN 0.280 nan 8.150 nan 0.000 0.467 284 G N -2.247 106.373 108.800 -0.300 0.000 2.131 284 G HA2 -0.191 3.785 3.960 0.028 0.000 0.223 284 G HA3 -0.191 3.785 3.960 0.028 0.000 0.223 284 G C -0.182 174.616 174.900 -0.171 0.000 0.990 284 G CA -0.063 44.904 45.100 -0.222 0.000 0.671 284 G HN 0.260 nan 8.290 nan 0.000 0.521 285 F N 1.487 121.469 119.950 0.054 0.000 2.396 285 F HA 0.704 5.249 4.527 0.029 0.000 0.343 285 F C 0.934 176.775 175.800 0.069 0.000 1.104 285 F CA -0.712 57.329 58.000 0.068 0.000 1.161 285 F CB 1.310 40.363 39.000 0.089 0.000 1.146 285 F HN 0.323 nan 8.300 nan 0.000 0.522 286 A N 2.897 125.875 122.820 0.264 0.000 2.388 286 A HA 0.618 4.955 4.320 0.028 0.000 0.257 286 A C -0.417 177.259 177.584 0.153 0.000 1.095 286 A CA -0.412 51.717 52.037 0.153 0.000 0.791 286 A CB 0.173 19.231 19.000 0.096 0.000 1.029 286 A HN 0.813 nan 8.150 nan 0.000 0.489 287 V N -0.115 119.871 119.914 0.119 0.000 2.864 287 V HA 0.859 4.996 4.120 0.028 0.000 0.314 287 V C -0.606 175.514 176.094 0.045 0.000 1.073 287 V CA -0.758 61.611 62.300 0.116 0.000 0.956 287 V CB 1.774 33.698 31.823 0.168 0.000 1.023 287 V HN 0.904 nan 8.190 nan 0.000 0.435 288 E N 1.130 121.338 120.200 0.014 0.000 2.308 288 E HA 0.461 4.828 4.350 0.028 0.000 0.275 288 E C -1.464 175.099 176.600 -0.061 0.000 0.890 288 E CA -0.563 55.811 56.400 -0.044 0.000 0.754 288 E CB 2.806 32.441 29.700 -0.108 0.000 1.207 288 E HN 0.853 nan 8.360 nan 0.000 0.426 289 E N 3.598 123.758 120.200 -0.067 0.000 2.183 289 E HA 0.269 4.636 4.350 0.028 0.000 0.250 289 E C -0.466 176.073 176.600 -0.102 0.000 0.901 289 E CA -0.337 56.009 56.400 -0.090 0.000 0.741 289 E CB 1.021 30.682 29.700 -0.065 0.000 1.182 289 E HN 0.402 nan 8.360 nan 0.000 0.425 290 R N 0.748 121.173 120.500 -0.124 0.000 2.810 290 R HA 0.491 4.848 4.340 0.028 0.000 0.266 290 R C -0.907 175.301 176.300 -0.153 0.000 1.061 290 R CA -1.104 54.915 56.100 -0.134 0.000 0.943 290 R CB 1.269 31.492 30.300 -0.128 0.000 1.237 290 R HN -0.044 nan 8.270 nan 0.000 0.459 291 K N 0.705 120.996 120.400 -0.182 0.000 2.218 291 K HA 0.427 4.764 4.320 0.028 0.000 0.276 291 K C -0.585 175.973 176.600 -0.069 0.000 1.022 291 K CA -0.422 55.741 56.287 -0.207 0.000 0.946 291 K CB 1.130 33.308 32.500 -0.538 0.000 1.000 291 K HN 0.499 nan 8.250 nan 0.000 0.468 292 I N 2.332 122.917 120.570 0.024 0.000 2.548 292 I HA 0.135 4.322 4.170 0.028 0.000 0.287 292 I C -1.449 174.707 176.117 0.066 0.000 1.103 292 I CA -0.710 60.566 61.300 -0.041 0.000 1.049 292 I CB 1.541 39.309 38.000 -0.387 0.000 1.232 292 I HN 0.725 nan 8.210 nan 0.000 0.429 293 D N 5.800 126.234 120.400 0.056 0.000 2.387 293 D HA 0.276 4.933 4.640 0.028 0.000 0.255 293 D C 0.962 177.267 176.300 0.008 0.000 1.081 293 D CA -0.657 53.307 54.000 -0.059 0.000 0.994 293 D CB 1.354 41.983 40.800 -0.285 0.000 1.127 293 D HN 0.220 nan 8.370 nan 0.000 0.513 294 V N 0.531 120.439 119.914 -0.009 0.000 2.332 294 V HA -0.252 3.885 4.120 0.028 0.000 0.248 294 V C 1.626 177.692 176.094 -0.045 0.000 1.055 294 V CA 2.168 64.472 62.300 0.006 0.000 1.038 294 V CB -0.689 31.000 31.823 -0.223 0.000 0.651 294 V HN 0.577 nan 8.190 nan 0.000 0.450 295 D N -0.206 120.146 120.400 -0.079 0.000 2.104 295 D HA -0.226 4.430 4.640 0.028 0.000 0.194 295 D C 2.183 178.450 176.300 -0.054 0.000 0.994 295 D CA 1.803 55.759 54.000 -0.074 0.000 0.830 295 D CB -0.186 40.577 40.800 -0.062 0.000 0.959 295 D HN 0.636 nan 8.370 nan 0.000 0.452 296 E N -0.385 119.805 120.200 -0.016 0.000 2.077 296 E HA -0.178 4.189 4.350 0.028 0.000 0.193 296 E C 2.033 178.657 176.600 0.039 0.000 0.989 296 E CA 0.667 57.072 56.400 0.007 0.000 0.800 296 E CB -0.104 29.607 29.700 0.017 0.000 0.746 296 E HN 0.237 nan 8.360 nan 0.000 0.452 297 W N 2.149 123.348 121.300 -0.168 0.000 2.315 297 W HA -0.260 4.416 4.660 0.027 0.000 0.323 297 W C 2.299 178.638 176.519 -0.299 0.000 1.233 297 W CA 2.137 59.399 57.345 -0.138 0.000 1.267 297 W CB -1.051 28.420 29.460 0.019 0.000 1.160 297 W HN 0.214 nan 8.180 nan 0.000 0.474 298 Q N 0.462 120.016 119.800 -0.409 0.000 2.084 298 Q HA -0.236 4.121 4.340 0.028 0.000 0.202 298 Q C 2.453 178.109 176.000 -0.573 0.000 0.978 298 Q CA 2.360 57.460 55.803 -1.171 0.000 0.844 298 Q CB -0.437 27.687 28.738 -1.024 0.000 0.898 298 Q HN 0.278 nan 8.270 nan 0.000 0.426 299 K N 0.273 120.507 120.400 -0.277 0.000 2.002 299 K HA -0.178 4.159 4.320 0.028 0.000 0.209 299 K C 1.913 178.444 176.600 -0.114 0.000 1.048 299 K CA 1.724 57.915 56.287 -0.159 0.000 0.930 299 K CB 0.049 32.498 32.500 -0.085 0.000 0.714 299 K HN 0.096 nan 8.250 nan 0.000 0.438 300 K N -0.272 120.081 120.400 -0.078 0.000 2.217 300 K HA -0.024 4.313 4.320 0.028 0.000 0.202 300 K C 2.014 178.572 176.600 -0.070 0.000 1.051 300 K CA 0.805 57.058 56.287 -0.056 0.000 0.952 300 K CB 0.071 32.542 32.500 -0.048 0.000 0.736 300 K HN 0.198 nan 8.250 nan 0.000 0.453 301 A N 1.172 123.956 122.820 -0.059 0.000 1.929 301 A HA -0.039 4.298 4.320 0.028 0.000 0.216 301 A C 2.361 179.938 177.584 -0.011 0.000 1.176 301 A CA 1.685 53.735 52.037 0.022 0.000 0.628 301 A CB -0.884 18.203 19.000 0.145 0.000 0.816 301 A HN 0.387 nan 8.150 nan 0.000 0.444 302 G N -0.703 108.040 108.800 -0.096 0.000 2.421 302 G HA2 0.120 4.097 3.960 0.028 0.000 0.217 302 G HA3 0.120 4.097 3.960 0.028 0.000 0.217 302 G C 1.498 176.383 174.900 -0.025 0.000 1.143 302 G CA 1.017 46.082 45.100 -0.058 0.000 0.784 302 G HN 0.775 nan 8.290 nan 0.000 0.541 303 A N -0.265 122.537 122.820 -0.031 0.000 2.206 303 A HA 0.444 4.781 4.320 0.028 0.000 0.211 303 A C 2.092 179.679 177.584 0.004 0.000 1.158 303 A CA 1.348 53.379 52.037 -0.010 0.000 0.761 303 A CB -0.485 18.510 19.000 -0.008 0.000 0.801 303 A HN 1.553 nan 8.150 nan 0.000 0.473 304 G N -0.633 108.169 108.800 0.004 0.000 2.159 304 G HA2 -0.338 3.639 3.960 0.028 0.000 0.256 304 G HA3 -0.338 3.639 3.960 0.028 0.000 0.256 304 G C 0.743 175.647 174.900 0.008 0.000 0.977 304 G CA 0.890 45.999 45.100 0.015 0.000 0.652 304 G HN 0.626 nan 8.290 nan 0.000 0.531 305 E N -0.471 119.722 120.200 -0.012 0.000 2.076 305 E HA 0.141 4.508 4.350 0.028 0.000 0.190 305 E C 1.131 177.649 176.600 -0.138 0.000 0.979 305 E CA 0.172 56.567 56.400 -0.008 0.000 0.807 305 E CB -0.003 29.720 29.700 0.038 0.000 0.761 305 E HN 0.600 nan 8.360 nan 0.000 0.454 306 I N 2.120 122.537 120.570 -0.254 0.000 2.301 306 I HA 0.015 4.202 4.170 0.028 0.000 0.292 306 I C 1.096 177.165 176.117 -0.080 0.000 1.046 306 I CA -0.110 60.969 61.300 -0.368 0.000 1.282 306 I CB 1.466 39.267 38.000 -0.332 0.000 1.409 306 I HN 0.173 nan 8.210 nan 0.000 0.484 307 T N 1.589 116.121 114.554 -0.036 0.000 3.051 307 T HA 0.230 4.597 4.350 0.028 0.000 0.255 307 T C 0.448 175.187 174.700 0.065 0.000 1.085 307 T CA 0.138 62.257 62.100 0.033 0.000 1.109 307 T CB 0.150 69.041 68.868 0.039 0.000 0.921 307 T HN 0.605 nan 8.240 nan 0.000 0.488 308 E N -0.144 120.098 120.200 0.071 0.000 2.412 308 E HA 0.668 5.035 4.350 0.028 0.000 0.279 308 E C -1.993 174.654 176.600 0.079 0.000 0.984 308 E CA -1.186 55.275 56.400 0.102 0.000 0.788 308 E CB 2.697 32.467 29.700 0.117 0.000 1.277 308 E HN -0.015 nan 8.360 nan 0.000 0.455 309 V N 1.653 121.610 119.914 0.071 0.000 2.777 309 V HA 0.637 4.774 4.120 0.028 0.000 0.306 309 V C -1.307 174.800 176.094 0.022 0.000 1.112 309 V CA -0.879 61.340 62.300 -0.135 0.000 0.917 309 V CB 1.195 32.938 31.823 -0.132 0.000 1.018 309 V HN 0.704 nan 8.190 nan 0.000 0.426 310 F N 2.063 121.930 119.950 -0.138 0.000 2.645 310 F HA 1.007 5.551 4.527 0.028 0.000 0.310 310 F C -0.293 175.492 175.800 -0.025 0.000 1.102 310 F CA -1.077 56.888 58.000 -0.060 0.000 0.952 310 F CB 1.546 40.512 39.000 -0.057 0.000 1.326 310 F HN 0.646 nan 8.300 nan 0.000 0.456 311 A N 0.914 123.881 122.820 0.244 0.000 2.320 311 A HA 0.888 5.225 4.320 0.028 0.000 0.334 311 A C -0.697 177.066 177.584 0.299 0.000 1.147 311 A CA -0.246 51.897 52.037 0.176 0.000 0.820 311 A CB 0.928 20.007 19.000 0.132 0.000 1.218 311 A HN 1.731 nan 8.150 nan 0.000 0.482 312 C N -0.636 118.814 119.300 0.249 0.000 2.994 312 C HA 1.057 5.533 4.460 0.028 0.000 0.305 312 C C 0.099 175.181 174.990 0.153 0.000 1.251 312 C CA 0.087 59.236 59.018 0.218 0.000 1.478 312 C CB 1.003 28.913 27.740 0.284 0.000 1.922 312 C HN 2.144 nan 8.230 nan 0.000 0.472 313 G N 0.936 109.795 108.800 0.098 0.000 2.368 313 G HA2 0.484 4.461 3.960 0.028 0.000 0.293 313 G HA3 0.484 4.461 3.960 0.028 0.000 0.293 313 G C -0.052 174.884 174.900 0.059 0.000 1.467 313 G CA 0.309 45.465 45.100 0.095 0.000 0.804 313 G HN 0.822 nan 8.290 nan 0.000 0.535 314 T N 0.959 115.582 114.554 0.116 0.000 2.652 314 T HA -0.085 4.282 4.350 0.028 0.000 0.267 314 T C 2.815 177.562 174.700 0.078 0.000 1.039 314 T CA 3.008 65.199 62.100 0.152 0.000 1.153 314 T CB -0.491 68.550 68.868 0.288 0.000 0.863 314 T HN 1.035 nan 8.240 nan 0.000 0.428 315 A N 1.275 124.083 122.820 -0.020 0.000 1.865 315 A HA 0.125 4.462 4.320 0.028 0.000 0.217 315 A C 2.476 179.731 177.584 -0.549 0.000 1.191 315 A CA 2.034 53.890 52.037 -0.303 0.000 0.623 315 A CB -0.969 17.656 19.000 -0.625 0.000 0.826 315 A HN 0.540 nan 8.150 nan 0.000 0.444 316 A N -2.436 119.971 122.820 -0.689 0.000 2.220 316 A HA 0.442 4.779 4.320 0.028 0.000 0.211 316 A C 1.487 178.900 177.584 -0.285 0.000 1.176 316 A CA 1.103 52.576 52.037 -0.939 0.000 0.834 316 A CB -0.198 18.172 19.000 -1.050 0.000 0.868 316 A HN 1.051 nan 8.150 nan 0.000 0.488 317 V N -1.821 118.004 119.914 -0.148 0.000 0.631 317 V HA -0.327 3.810 4.120 0.028 0.000 0.092 317 V C 0.516 176.602 176.094 -0.012 0.000 1.502 317 V CA 2.072 64.342 62.300 -0.050 0.000 3.284 317 V CB -1.426 30.378 31.823 -0.032 0.000 0.547 317 V HN 0.523 nan 8.190 nan 0.000 0.554 318 I N 0.054 120.626 120.570 0.004 0.000 2.607 318 I HA 0.550 4.737 4.170 0.028 0.000 0.290 318 I C -0.686 175.481 176.117 0.084 0.000 1.129 318 I CA -0.122 61.188 61.300 0.017 0.000 1.042 318 I CB 2.252 40.136 38.000 -0.192 0.000 1.242 318 I HN 0.356 nan 8.210 nan 0.000 0.421 319 T N 6.524 121.173 114.554 0.158 0.000 2.840 319 T HA 0.409 4.776 4.350 0.028 0.000 0.287 319 T C -2.652 172.144 174.700 0.159 0.000 0.991 319 T CA -1.358 60.866 62.100 0.207 0.000 0.964 319 T CB 1.965 71.011 68.868 0.296 0.000 0.954 319 T HN 0.183 nan 8.240 nan 0.000 0.438 320 P HA 0.328 nan 4.420 nan 0.000 0.271 320 P C -0.966 176.404 177.300 0.117 0.000 1.218 320 P CA -0.486 62.670 63.100 0.092 0.000 0.780 320 P CB 0.641 32.343 31.700 0.002 0.000 0.901 321 V N 2.354 122.344 119.914 0.126 0.000 2.409 321 V HA 0.204 4.341 4.120 0.028 0.000 0.291 321 V C 1.006 177.175 176.094 0.126 0.000 1.020 321 V CA 0.170 62.545 62.300 0.125 0.000 0.848 321 V CB 1.218 33.120 31.823 0.133 0.000 0.990 321 V HN 0.703 nan 8.190 nan 0.000 0.430 322 S N 2.617 118.385 115.700 0.114 0.000 2.539 322 S HA 0.228 4.715 4.470 0.028 0.000 0.226 322 S C 0.332 175.010 174.600 0.130 0.000 1.054 322 S CA 0.073 58.341 58.200 0.114 0.000 0.910 322 S CB 0.116 63.369 63.200 0.089 0.000 0.818 322 S HN 0.768 nan 8.310 nan 0.000 0.490 323 H N 0.134 119.178 119.070 -0.043 0.000 2.717 323 H HA 0.746 5.318 4.556 0.028 0.000 0.366 323 H C -1.666 173.503 175.328 -0.265 0.000 1.132 323 H CA -0.555 55.407 56.048 -0.143 0.000 1.180 323 H CB 2.082 31.792 29.762 -0.087 0.000 1.678 323 H HN 0.071 nan 8.280 nan 0.000 0.537 324 V N 4.599 123.905 119.914 -1.012 0.000 2.588 324 V HA 0.418 4.555 4.120 0.028 0.000 0.304 324 V C -0.511 175.050 176.094 -0.889 0.000 1.042 324 V CA -0.915 60.768 62.300 -1.029 0.000 0.877 324 V CB 1.689 32.421 31.823 -1.818 0.000 0.996 324 V HN 0.719 nan 8.190 nan 0.000 0.425 325 K N 3.459 123.624 120.400 -0.391 0.000 2.427 325 K HA 0.763 5.100 4.320 0.028 0.000 0.252 325 K C -1.201 175.340 176.600 -0.098 0.000 0.931 325 K CA -0.584 55.637 56.287 -0.110 0.000 0.793 325 K CB 2.001 34.620 32.500 0.199 0.000 1.211 325 K HN 1.106 nan 8.250 nan 0.000 0.426 326 H N -1.120 117.804 119.070 -0.243 0.000 2.960 326 H HA 0.222 4.794 4.556 0.027 0.000 0.323 326 H C 0.624 175.808 175.328 -0.241 0.000 1.326 326 H CA -0.882 54.811 56.048 -0.593 0.000 1.124 326 H CB 0.703 30.218 29.762 -0.412 0.000 1.853 326 H HN 0.588 nan 8.280 nan 0.000 0.536 327 H N 0.089 118.997 119.070 -0.271 0.000 2.357 327 H HA -0.146 4.427 4.556 0.028 0.000 0.296 327 H C -0.242 174.981 175.328 -0.174 0.000 1.108 327 H CA 2.481 58.437 56.048 -0.153 0.000 1.273 327 H CB 0.091 29.619 29.762 -0.389 0.000 1.367 327 H HN 0.794 nan 8.280 nan 0.000 0.498 328 D N -0.695 119.613 120.400 -0.152 0.000 2.501 328 D HA 0.338 4.995 4.640 0.028 0.000 0.226 328 D C 0.235 176.276 176.300 -0.431 0.000 1.198 328 D CA 0.412 54.295 54.000 -0.194 0.000 0.830 328 D CB 1.276 42.144 40.800 0.113 0.000 1.014 328 D HN 0.492 nan 8.370 nan 0.000 0.496 329 G N 0.255 108.512 108.800 -0.904 0.000 2.313 329 G HA2 0.373 4.350 3.960 0.028 0.000 0.296 329 G HA3 0.373 4.350 3.960 0.028 0.000 0.296 329 G C -1.915 172.722 174.900 -0.438 0.000 1.356 329 G CA -0.875 43.894 45.100 -0.553 0.000 0.833 329 G HN 0.033 nan 8.290 nan 0.000 0.552 330 E N -1.049 119.094 120.200 -0.094 0.000 2.347 330 E HA 0.642 5.009 4.350 0.028 0.000 0.285 330 E C -1.587 175.034 176.600 0.035 0.000 0.925 330 E CA -0.937 55.394 56.400 -0.115 0.000 0.779 330 E CB 1.785 31.436 29.700 -0.081 0.000 1.233 330 E HN 1.113 nan 8.360 nan 0.000 0.414 331 F N -0.459 119.299 119.950 -0.320 0.000 2.693 331 F HA 0.648 5.191 4.527 0.028 0.000 0.309 331 F C -1.119 174.531 175.800 -0.251 0.000 1.129 331 F CA -0.823 57.051 58.000 -0.209 0.000 0.948 331 F CB 1.492 40.396 39.000 -0.160 0.000 1.315 331 F HN 0.144 nan 8.300 nan 0.000 0.447 332 T N 2.136 116.770 114.554 0.134 0.000 2.925 332 T HA 0.669 5.036 4.350 0.028 0.000 0.285 332 T C -0.689 174.137 174.700 0.210 0.000 1.021 332 T CA -0.412 61.785 62.100 0.161 0.000 1.042 332 T CB 1.606 70.622 68.868 0.246 0.000 1.037 332 T HN 0.477 nan 8.240 nan 0.000 0.481 333 I N 2.822 123.498 120.570 0.176 0.000 2.304 333 I HA 0.507 4.694 4.170 0.028 0.000 0.291 333 I C 0.975 177.177 176.117 0.143 0.000 1.018 333 I CA 0.180 61.603 61.300 0.205 0.000 1.260 333 I CB -0.026 38.107 38.000 0.221 0.000 1.390 333 I HN 0.986 nan 8.210 nan 0.000 0.475 334 A N 5.756 128.651 122.820 0.124 0.000 5.483 334 A HA -0.330 4.007 4.320 0.028 0.000 0.309 334 A C 1.276 178.906 177.584 0.077 0.000 1.898 334 A CA 1.612 53.701 52.037 0.087 0.000 0.716 334 A CB -1.524 17.520 19.000 0.074 0.000 1.309 334 A HN 0.867 nan 8.150 nan 0.000 0.380 335 D N 0.559 120.995 120.400 0.060 0.000 2.319 335 D HA 0.391 5.048 4.640 0.028 0.000 0.230 335 D C 1.307 177.635 176.300 0.046 0.000 1.094 335 D CA 1.348 55.376 54.000 0.048 0.000 0.856 335 D CB -0.563 40.258 40.800 0.034 0.000 0.915 335 D HN 2.304 nan 8.370 nan 0.000 0.517 336 G N -0.297 108.540 108.800 0.062 0.000 2.184 336 G HA2 -0.274 3.703 3.960 0.028 0.000 0.264 336 G HA3 -0.274 3.703 3.960 0.028 0.000 0.264 336 G C 0.147 175.071 174.900 0.040 0.000 0.975 336 G CA 0.175 45.310 45.100 0.058 0.000 0.642 336 G HN 0.413 nan 8.290 nan 0.000 0.536 337 Q N -0.086 119.734 119.800 0.033 0.000 2.241 337 Q HA 0.539 4.896 4.340 0.028 0.000 0.262 337 Q C -2.560 173.448 176.000 0.013 0.000 1.014 337 Q CA -2.053 53.759 55.803 0.015 0.000 0.885 337 Q CB 0.705 29.448 28.738 0.008 0.000 1.311 337 Q HN 0.143 nan 8.270 nan 0.000 0.461 338 P HA 0.076 nan 4.420 nan 0.000 0.267 338 P C -0.114 177.175 177.300 -0.018 0.000 1.209 338 P CA 0.247 63.330 63.100 -0.027 0.000 0.763 338 P CB 0.353 32.005 31.700 -0.080 0.000 0.816 339 G N 2.504 111.304 108.800 -0.001 0.000 2.636 339 G HA2 -0.012 3.965 3.960 0.028 0.000 0.246 339 G HA3 -0.012 3.965 3.960 0.028 0.000 0.246 339 G C 0.695 175.580 174.900 -0.024 0.000 1.216 339 G CA -0.352 44.751 45.100 0.004 0.000 0.854 339 G HN 0.480 nan 8.290 nan 0.000 0.572 340 E N -0.025 120.169 120.200 -0.010 0.000 2.058 340 E HA -0.164 4.203 4.350 0.028 0.000 0.194 340 E C 2.403 178.984 176.600 -0.031 0.000 0.997 340 E CA 0.867 57.261 56.400 -0.011 0.000 0.801 340 E CB -0.057 29.652 29.700 0.016 0.000 0.746 340 E HN 0.392 nan 8.360 nan 0.000 0.450 341 I N 1.179 121.719 120.570 -0.050 0.000 2.315 341 I HA -0.184 4.003 4.170 0.028 0.000 0.248 341 I C 2.272 178.280 176.117 -0.182 0.000 1.117 341 I CA 1.312 62.543 61.300 -0.114 0.000 1.404 341 I CB -1.487 36.387 38.000 -0.211 0.000 1.071 341 I HN 0.113 nan 8.210 nan 0.000 0.419 342 T N 1.259 115.697 114.554 -0.193 0.000 2.684 342 T HA -0.169 4.198 4.350 0.028 0.000 0.267 342 T C 1.917 176.385 174.700 -0.388 0.000 1.036 342 T CA 1.398 63.241 62.100 -0.429 0.000 1.148 342 T CB -0.072 68.662 68.868 -0.223 0.000 0.863 342 T HN 0.123 nan 8.240 nan 0.000 0.436 343 M N 0.734 120.208 119.600 -0.210 0.000 2.288 343 M HA 0.242 4.739 4.480 0.028 0.000 0.266 343 M C 2.747 178.985 176.300 -0.103 0.000 1.072 343 M CA 0.706 55.912 55.300 -0.156 0.000 1.132 343 M CB -1.558 30.981 32.600 -0.101 0.000 1.386 343 M HN 0.280 nan 8.290 nan 0.000 0.432 344 A N 0.719 123.496 122.820 -0.073 0.000 1.877 344 A HA -0.111 4.226 4.320 0.028 0.000 0.216 344 A C 2.314 179.889 177.584 -0.016 0.000 1.186 344 A CA 1.332 53.363 52.037 -0.010 0.000 0.620 344 A CB -0.938 18.090 19.000 0.047 0.000 0.822 344 A HN 0.451 nan 8.150 nan 0.000 0.443 345 L N -1.302 119.871 121.223 -0.083 0.000 2.093 345 L HA -0.146 4.211 4.340 0.028 0.000 0.208 345 L C 2.815 179.613 176.870 -0.119 0.000 1.085 345 L CA 1.604 56.386 54.840 -0.097 0.000 0.755 345 L CB -0.434 41.493 42.059 -0.220 0.000 0.904 345 L HN 0.453 nan 8.230 nan 0.000 0.435 346 R N 0.129 120.516 120.500 -0.189 0.000 2.092 346 R HA -0.155 4.202 4.340 0.028 0.000 0.231 346 R C 1.834 178.114 176.300 -0.033 0.000 1.119 346 R CA 1.539 57.554 56.100 -0.142 0.000 0.970 346 R CB -0.034 30.158 30.300 -0.180 0.000 0.864 346 R HN 0.324 nan 8.270 nan 0.000 0.440 347 D N -0.528 119.876 120.400 0.007 0.000 2.144 347 D HA -0.111 4.546 4.640 0.028 0.000 0.200 347 D C 1.672 178.122 176.300 0.250 0.000 0.978 347 D CA 1.558 55.618 54.000 0.101 0.000 0.833 347 D CB -0.235 40.637 40.800 0.121 0.000 0.961 347 D HN 0.244 nan 8.370 nan 0.000 0.470 348 T N 1.417 116.101 114.554 0.217 0.000 2.737 348 T HA -0.122 4.245 4.350 0.028 0.000 0.265 348 T C 1.933 176.810 174.700 0.295 0.000 1.038 348 T CA 0.500 62.776 62.100 0.293 0.000 1.144 348 T CB -0.305 68.626 68.868 0.104 0.000 0.866 348 T HN 0.022 nan 8.240 nan 0.000 0.434 349 L N 1.788 123.102 121.223 0.151 0.000 1.994 349 L HA -0.089 4.268 4.340 0.028 0.000 0.208 349 L C 2.744 179.626 176.870 0.020 0.000 1.071 349 L CA 2.413 57.311 54.840 0.098 0.000 0.745 349 L CB -1.391 40.661 42.059 -0.013 0.000 0.892 349 L HN 0.436 nan 8.230 nan 0.000 0.431 350 T N -3.656 110.895 114.554 -0.005 0.000 2.881 350 T HA -0.057 4.310 4.350 0.028 0.000 0.270 350 T C 1.946 176.605 174.700 -0.067 0.000 1.068 350 T CA 0.841 62.917 62.100 -0.041 0.000 1.131 350 T CB -1.332 67.532 68.868 -0.007 0.000 0.871 350 T HN 0.408 nan 8.240 nan 0.000 0.479 351 G N 1.410 110.180 108.800 -0.050 0.000 2.408 351 G HA2 -0.014 3.963 3.960 0.028 0.000 0.217 351 G HA3 -0.014 3.963 3.960 0.028 0.000 0.217 351 G C 1.513 176.306 174.900 -0.177 0.000 1.150 351 G CA 0.665 45.555 45.100 -0.349 0.000 0.776 351 G HN 0.568 nan 8.290 nan 0.000 0.542 352 I N 0.288 120.927 120.570 0.114 0.000 2.202 352 I HA -0.191 3.996 4.170 0.028 0.000 0.242 352 I C 3.016 179.242 176.117 0.183 0.000 1.091 352 I CA 1.099 62.519 61.300 0.200 0.000 1.368 352 I CB -0.264 37.953 38.000 0.362 0.000 1.058 352 I HN 0.224 nan 8.210 nan 0.000 0.410 353 Q N 0.489 120.321 119.800 0.053 0.000 2.124 353 Q HA -0.185 4.172 4.340 0.028 0.000 0.202 353 Q C 2.094 178.079 176.000 -0.025 0.000 0.977 353 Q CA 1.299 57.024 55.803 -0.130 0.000 0.850 353 Q CB -0.159 28.275 28.738 -0.505 0.000 0.901 353 Q HN 0.472 nan 8.270 nan 0.000 0.429 354 R N -0.721 119.756 120.500 -0.038 0.000 2.299 354 R HA 0.067 4.424 4.340 0.028 0.000 0.197 354 R C 1.054 177.091 176.300 -0.438 0.000 0.971 354 R CA 0.557 56.646 56.100 -0.018 0.000 1.030 354 R CB 0.368 30.609 30.300 -0.099 0.000 0.932 354 R HN 0.388 nan 8.270 nan 0.000 0.477 355 G N 0.479 108.939 108.800 -0.567 0.000 2.157 355 G HA2 -0.342 3.635 3.960 0.028 0.000 0.248 355 G HA3 -0.342 3.635 3.960 0.028 0.000 0.248 355 G C 0.970 175.442 174.900 -0.715 0.000 0.979 355 G CA 0.768 45.101 45.100 -1.278 0.000 0.650 355 G HN 0.460 nan 8.290 nan 0.000 0.529 356 T N -2.198 112.042 114.554 -0.524 0.000 2.851 356 T HA 0.383 4.750 4.350 0.028 0.000 0.262 356 T C 1.215 175.721 174.700 -0.323 0.000 1.043 356 T CA 0.856 62.657 62.100 -0.499 0.000 1.140 356 T CB -0.051 68.384 68.868 -0.721 0.000 0.872 356 T HN 0.400 nan 8.240 nan 0.000 0.446 357 F N 1.450 121.328 119.950 -0.119 0.000 2.450 357 F HA 0.680 5.224 4.527 0.028 0.000 0.328 357 F C 0.892 176.648 175.800 -0.073 0.000 1.068 357 F CA -1.731 56.223 58.000 -0.077 0.000 1.007 357 F CB 1.092 40.070 39.000 -0.037 0.000 1.251 357 F HN 0.140 nan 8.300 nan 0.000 0.492 358 A N 1.163 124.073 122.820 0.151 0.000 2.488 358 A HA 0.069 4.406 4.320 0.028 0.000 0.249 358 A C -0.379 177.218 177.584 0.022 0.000 1.083 358 A CA -0.232 51.827 52.037 0.038 0.000 0.768 358 A CB -0.117 18.869 19.000 -0.022 0.000 1.017 358 A HN 0.674 nan 8.150 nan 0.000 0.496 359 D N 2.601 123.016 120.400 0.024 0.000 2.639 359 D HA 0.145 4.801 4.640 0.028 0.000 0.233 359 D C 1.593 177.801 176.300 -0.154 0.000 1.161 359 D CA 0.506 54.510 54.000 0.006 0.000 1.003 359 D CB -0.034 40.860 40.800 0.157 0.000 1.034 359 D HN 0.542 nan 8.370 nan 0.000 0.514 360 T N -0.801 113.563 114.554 -0.316 0.000 2.929 360 T HA -0.173 4.194 4.350 0.028 0.000 0.271 360 T C 1.198 175.558 174.700 -0.567 0.000 1.085 360 T CA 0.973 62.812 62.100 -0.435 0.000 1.125 360 T CB -0.234 68.317 68.868 -0.529 0.000 0.874 360 T HN 0.367 nan 8.240 nan 0.000 0.494 361 H N 0.786 119.556 119.070 -0.500 0.000 2.551 361 H HA 0.378 4.951 4.556 0.028 0.000 0.271 361 H C 1.858 176.935 175.328 -0.419 0.000 0.984 361 H CA 0.056 55.735 56.048 -0.616 0.000 1.164 361 H CB -0.026 28.947 29.762 -1.314 0.000 1.437 361 H HN 0.584 nan 8.280 nan 0.000 0.550 362 G N 1.247 109.946 108.800 -0.169 0.000 2.273 362 G HA2 -0.244 3.733 3.960 0.028 0.000 0.280 362 G HA3 -0.244 3.733 3.960 0.028 0.000 0.280 362 G C 0.608 175.592 174.900 0.140 0.000 1.047 362 G CA 0.405 45.508 45.100 0.006 0.000 0.869 362 G HN 0.399 nan 8.290 nan 0.000 0.502 363 W N -0.876 120.466 121.300 0.069 0.000 2.518 363 W HA 0.335 5.012 4.660 0.029 0.000 0.273 363 W C 1.431 177.908 176.519 -0.070 0.000 1.247 363 W CA 0.197 57.501 57.345 -0.070 0.000 1.288 363 W CB -0.363 29.026 29.460 -0.118 0.000 1.107 363 W HN 0.241 nan 8.180 nan 0.000 0.586 364 M N 0.560 120.339 119.600 0.298 0.000 2.185 364 M HA 0.404 4.901 4.480 0.028 0.000 0.357 364 M C 0.162 176.498 176.300 0.060 0.000 1.260 364 M CA -0.637 54.774 55.300 0.185 0.000 1.124 364 M CB 0.176 32.919 32.600 0.239 0.000 1.600 364 M HN -0.161 nan 8.290 nan 0.000 0.467 365 A N 4.415 127.234 122.820 -0.002 0.000 2.365 365 A HA 0.807 5.144 4.320 0.028 0.000 0.318 365 A C -0.254 177.279 177.584 -0.084 0.000 1.091 365 A CA -0.913 51.111 52.037 -0.021 0.000 0.763 365 A CB 1.454 20.461 19.000 0.012 0.000 1.248 365 A HN 0.694 nan 8.150 nan 0.000 0.442 366 R N 1.741 122.194 120.500 -0.078 0.000 2.340 366 R HA 0.383 4.740 4.340 0.028 0.000 0.300 366 R C 0.079 176.342 176.300 -0.062 0.000 1.069 366 R CA -0.153 55.888 56.100 -0.097 0.000 0.984 366 R CB 0.713 30.975 30.300 -0.064 0.000 1.003 366 R HN 0.806 nan 8.270 nan 0.000 0.459 367 L N 1.507 122.689 121.223 -0.068 0.000 2.515 367 L HA 0.128 4.485 4.340 0.028 0.000 0.202 367 L C 0.496 177.336 176.870 -0.051 0.000 1.056 367 L CA -0.076 54.732 54.840 -0.053 0.000 0.847 367 L CB -0.098 41.932 42.059 -0.047 0.000 1.131 367 L HN 0.766 nan 8.230 nan 0.000 0.484 368 N N 0.000 118.673 118.700 -0.045 0.000 1.763 368 N HA 0.000 4.757 4.740 0.028 0.000 0.220 368 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 368 N CB 0.000 38.473 38.487 -0.024 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667